smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(CCCNC(=O)c2ccc(CC3CCN(C(C)=O)CC3)cc2)CC1 ZINC000581806209 1078782107 /nfs/dbraw/zinc/78/21/07/1078782107.db2.gz WDGNBHSFFHPHAF-UHFFFAOYSA-N 1 0 414.594 2.245 50 0 HEAARO COc1cccc(S(=O)(=O)N2CC(c3noc([C@H]4CCC[N@@H+]4CC4CC4)n3)C2)c1 ZINC000575541403 1076333432 /nfs/dbraw/zinc/33/34/32/1076333432.db2.gz CMCQNYYBPFZXLZ-GOSISDBHSA-N 1 0 418.519 2.413 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4ncnn4c3C)cc2)CC1 ZINC000004884749 132291540 /nfs/dbraw/zinc/29/15/40/132291540.db2.gz UCYWKMARXIFEMA-UHFFFAOYSA-N 1 0 407.522 2.454 50 0 HEAARO Cc1cccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000006276223 132310115 /nfs/dbraw/zinc/31/01/15/132310115.db2.gz NMGSCRANPUSVRM-UHFFFAOYSA-N 1 0 422.533 2.233 50 0 HEAARO O[C@H]1CCC[N@@H+](C2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)C1 ZINC000012457524 132360878 /nfs/dbraw/zinc/36/08/78/132360878.db2.gz RBFYJKKVLSSSEM-AWEZNQCLSA-N 1 0 415.523 2.112 50 0 HEAARO O[C@H](COc1ccccc1CN1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1 ZINC000012575304 132364505 /nfs/dbraw/zinc/36/45/05/132364505.db2.gz CCBFXHAYSPSUJF-NRFANRHFSA-N 1 0 411.550 2.024 50 0 HEAARO CC(=O)c1ccc(N2CCN(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)CC2)c(F)c1 ZINC000032863581 518349668 /nfs/dbraw/zinc/34/96/68/518349668.db2.gz ZKMCWKAZQCKEKD-IBGZPJMESA-N 1 0 420.529 2.217 50 0 HEAARO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000045966959 519709395 /nfs/dbraw/zinc/70/93/95/519709395.db2.gz MTGBFJUKYAJFCZ-UHFFFAOYSA-N 1 0 422.529 2.418 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000020566723 520562343 /nfs/dbraw/zinc/56/23/43/520562343.db2.gz JZVXWJKGRYEPKY-MTXNFPGFSA-N 1 0 403.482 2.450 50 0 HEAARO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@@H](c3ccc(CC)cc3)[NH+](C)C)cnc21 ZINC000032734774 521614318 /nfs/dbraw/zinc/61/43/18/521614318.db2.gz KYFZRHAYDKPZND-IBGZPJMESA-N 1 0 423.517 2.090 50 0 HEAARO CC[C@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000032446656 522172595 /nfs/dbraw/zinc/17/25/95/522172595.db2.gz WMZHAQJAOUDGBH-HXUWFJFHSA-N 1 0 407.580 2.001 50 0 HEAARO Cc1ccc(-c2noc3ncn(CCC(=O)NCC[NH+]4CCCCC4)c(=O)c32)cc1 ZINC000032933661 525885991 /nfs/dbraw/zinc/88/59/91/525885991.db2.gz AKGNPLYKVMFCPZ-UHFFFAOYSA-N 1 0 409.490 2.352 50 0 HEAARO O=c1n(CC[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccn21 ZINC000032778032 527494062 /nfs/dbraw/zinc/49/40/62/527494062.db2.gz WDGALDBVWBOZEE-UHFFFAOYSA-N 1 0 406.412 2.122 50 0 HEAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677374 557364824 /nfs/dbraw/zinc/36/48/24/557364824.db2.gz YMERVXHWUVWPIB-IBGZPJMESA-N 1 0 418.513 2.412 50 0 HEAARO COc1ccccc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000005675571 557668159 /nfs/dbraw/zinc/66/81/59/557668159.db2.gz YROJCMMAKHQITO-GFCCVEGCSA-N 1 0 411.911 2.077 50 0 HEAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccc(C)cc1 ZINC000008550135 557794831 /nfs/dbraw/zinc/79/48/31/557794831.db2.gz FIRMVMHYXVQXRK-UHFFFAOYSA-N 1 0 411.462 2.067 50 0 HEAARO COc1cc(C)c(CN2CC[NH+](C[C@@H](O)COCc3ccco3)CC2)cc1OC ZINC000022780528 557819694 /nfs/dbraw/zinc/81/96/94/557819694.db2.gz VLGYPDQBRMZTFZ-LJQANCHMSA-N 1 0 404.507 2.301 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795409 557822615 /nfs/dbraw/zinc/82/26/15/557822615.db2.gz USRLATFYZUYVMY-NRFANRHFSA-N 1 0 410.518 2.047 50 0 HEAARO COC[C@H]1CCCCN1Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000019794418 558283643 /nfs/dbraw/zinc/28/36/43/558283643.db2.gz LWQSUBNLQGVVIC-MRXNPFEDSA-N 1 0 405.568 2.174 50 0 HEAARO COCCn1c(CN2CC[N@@H+]3CCC[C@@H]3C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000019812742 558287157 /nfs/dbraw/zinc/28/71/57/558287157.db2.gz PTICXFDQBOWNEO-LJQANCHMSA-N 1 0 424.611 2.164 50 0 HEAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011909062 558296078 /nfs/dbraw/zinc/29/60/78/558296078.db2.gz HAUOZJMNEZPXKP-GOSISDBHSA-N 1 0 413.522 2.331 50 0 HEAARO COC(=O)CCNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000011958052 558303862 /nfs/dbraw/zinc/30/38/62/558303862.db2.gz RIYTVAKIAFZTKH-UHFFFAOYSA-N 1 0 414.506 2.188 50 0 HEAARO O=C(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012314045 558377535 /nfs/dbraw/zinc/37/75/35/558377535.db2.gz SKKUQRKQSYXLOM-HZPDHXFCSA-N 1 0 406.832 2.391 50 0 HEAARO CC(=O)N1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CC1 ZINC000012318422 558381302 /nfs/dbraw/zinc/38/13/02/558381302.db2.gz OADOBEUKRSTZOF-UHFFFAOYSA-N 1 0 422.529 2.429 50 0 HEAARO CCOc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)ccc1O ZINC000020998612 558427333 /nfs/dbraw/zinc/42/73/33/558427333.db2.gz ZSBBWBMHTNMIEW-OAHLLOKOSA-N 1 0 401.511 2.274 50 0 HEAARO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)N1CCN(c2ncccn2)CC1 ZINC000014184882 558629943 /nfs/dbraw/zinc/62/99/43/558629943.db2.gz AJKJXLNPJUSJAA-UHFFFAOYSA-N 1 0 406.490 2.146 50 0 HEAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)cc1F ZINC000014531936 558656439 /nfs/dbraw/zinc/65/64/39/558656439.db2.gz USJVLMQQAVWAEX-HSQYWUDLSA-N 1 0 420.488 2.416 50 0 HEAARO COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C1CCC1)CC2 ZINC000014535584 558657993 /nfs/dbraw/zinc/65/79/93/558657993.db2.gz AEVWNPHGXNDGCJ-UHFFFAOYSA-N 1 0 401.507 2.493 50 0 HEAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+]([C@H](C)CO)CC3)C2=O)cc1 ZINC000014541000 558659952 /nfs/dbraw/zinc/65/99/52/558659952.db2.gz VNLSZIWRBKWITJ-QGZVFWFLSA-N 1 0 403.523 2.331 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@@H](C)CSC)CC2 ZINC000014744939 558668681 /nfs/dbraw/zinc/66/86/81/558668681.db2.gz GVCUDBHICLRAQU-KRWDZBQOSA-N 1 0 420.579 2.468 50 0 HEAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000027132027 558669871 /nfs/dbraw/zinc/66/98/71/558669871.db2.gz BNFLHDKYATVXAM-MRXNPFEDSA-N 1 0 411.568 2.321 50 0 HEAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cccc(OC)c1OC)CC2 ZINC000014882025 558676486 /nfs/dbraw/zinc/67/64/86/558676486.db2.gz SUVDPMBRIAUYAO-OAHLLOKOSA-N 1 0 401.511 2.016 50 0 HEAARO COc1cc2nc(N(C)C)c(CN(CC[NH+](C)C)C(C)=O)cc2c(OC)c1OC ZINC000015001390 558697944 /nfs/dbraw/zinc/69/79/44/558697944.db2.gz FPORDGDUQVQPIM-UHFFFAOYSA-N 1 0 404.511 2.237 50 0 HEAARO COc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2=O)cc1 ZINC000028435162 558701168 /nfs/dbraw/zinc/70/11/68/558701168.db2.gz ZVIZUTSCSUQABL-KRWDZBQOSA-N 1 0 408.502 2.439 50 0 HEAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@H]1c1ccccc1Cl ZINC000004570583 558742633 /nfs/dbraw/zinc/74/26/33/558742633.db2.gz KIHKTIYROZJCGW-INIZCTEOSA-N 1 0 417.893 2.239 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000015671266 558748314 /nfs/dbraw/zinc/74/83/14/558748314.db2.gz ACGIIGIXJWPVID-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000033318543 558766304 /nfs/dbraw/zinc/76/63/04/558766304.db2.gz UBPINGSVCSKEEX-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022105 558767870 /nfs/dbraw/zinc/76/78/70/558767870.db2.gz DGFGEQTWBFZXIJ-PWSZPPJVSA-N 1 0 421.472 2.445 50 0 HEAARO CC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000032976268 558803259 /nfs/dbraw/zinc/80/32/59/558803259.db2.gz KQTFXZNMMVKNFL-UHFFFAOYSA-N 1 0 401.488 2.078 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000046960626 558841381 /nfs/dbraw/zinc/84/13/81/558841381.db2.gz DHTQHYOARHEAEV-IAGOWNOFSA-N 1 0 413.609 2.387 50 0 HEAARO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000033024217 558841551 /nfs/dbraw/zinc/84/15/51/558841551.db2.gz NJVOVHGJQSMAFD-LJQANCHMSA-N 1 0 415.490 2.370 50 0 HEAARO COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)C[C@@H]2CCO)cc(OC)c1 ZINC000019228934 558853203 /nfs/dbraw/zinc/85/32/03/558853203.db2.gz RKCRVNCHKQIKRW-NRFANRHFSA-N 1 0 405.583 2.445 50 0 HEAARO CC1CCC(NS(=O)(=O)CC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000060370498 558890676 /nfs/dbraw/zinc/89/06/76/558890676.db2.gz QZLYRMQVTKNLTO-UUKMXZOPSA-N 1 0 407.580 2.265 50 0 HEAARO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000071747780 558908716 /nfs/dbraw/zinc/90/87/16/558908716.db2.gz XIKFJTYABRNAAO-HXUWFJFHSA-N 1 0 410.566 2.448 50 0 HEAARO Cc1cccc2c1ncn(CC(=O)N1CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC1)c2=O ZINC000058227333 558913665 /nfs/dbraw/zinc/91/36/65/558913665.db2.gz KYNSSMPCAJMAEK-HDICACEKSA-N 1 0 412.534 2.053 50 0 HEAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1)C1CC1 ZINC000019535876 558913741 /nfs/dbraw/zinc/91/37/41/558913741.db2.gz JRJWRXPAQSCRHO-UHFFFAOYSA-N 1 0 416.551 2.362 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254513 558918373 /nfs/dbraw/zinc/91/83/73/558918373.db2.gz GHADYKVDXMDJHJ-GOSISDBHSA-N 1 0 407.580 2.468 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)nn2)CC1 ZINC000033261544 558931273 /nfs/dbraw/zinc/93/12/73/558931273.db2.gz PIUVDHPOAJRODQ-OAQYLSRUSA-N 1 0 422.577 2.460 50 0 HEAARO CN1C(=O)N(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C(=O)C12CCCCC2 ZINC000072400379 558934561 /nfs/dbraw/zinc/93/45/61/558934561.db2.gz VNYHCHNKKGHWLK-UHFFFAOYSA-N 1 0 412.534 2.364 50 0 HEAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cccs2)CC1)c1cccs1 ZINC000019690765 558959986 /nfs/dbraw/zinc/95/99/86/558959986.db2.gz BUWVHZIRQGMQLR-UHFFFAOYSA-N 1 0 420.604 2.367 50 0 HEAARO Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065362888 558973663 /nfs/dbraw/zinc/97/36/63/558973663.db2.gz UOLQQNCSVDUPSH-UHFFFAOYSA-N 1 0 402.520 2.371 50 0 HEAARO COc1cc(C(=O)OCCN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000096602361 558981569 /nfs/dbraw/zinc/98/15/69/558981569.db2.gz DBDUMTSGPFISIG-UHFFFAOYSA-N 1 0 400.475 2.384 50 0 HEAARO CSc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1C(=O)N1CCCCC1 ZINC000067629453 558990115 /nfs/dbraw/zinc/99/01/15/558990115.db2.gz FNAAFYMPRYOEFG-UHFFFAOYSA-N 1 0 411.593 2.407 50 0 HEAARO CC[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000022457243 558995326 /nfs/dbraw/zinc/99/53/26/558995326.db2.gz DVYOJEXFPKIDKK-LJQANCHMSA-N 1 0 408.955 2.392 50 0 HEAARO C[NH+](C)CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077338094 559001715 /nfs/dbraw/zinc/00/17/15/559001715.db2.gz JQZAKLOUTKGYLI-UHFFFAOYSA-N 1 0 413.543 2.274 50 0 HEAARO C[N@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C1CCSCC1 ZINC000077421522 559004586 /nfs/dbraw/zinc/00/45/86/559004586.db2.gz WSJRVTLJIDWNOT-UHFFFAOYSA-N 1 0 415.515 2.361 50 0 HEAARO C[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C[C@@H]1CCCCO1 ZINC000077489618 559007346 /nfs/dbraw/zinc/00/73/46/559007346.db2.gz IKVIGOAMNSLMJZ-KRWDZBQOSA-N 1 0 413.474 2.035 50 0 HEAARO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000033275404 559035112 /nfs/dbraw/zinc/03/51/12/559035112.db2.gz VFRMALNLNSVKQY-UHFFFAOYSA-N 1 0 416.547 2.344 50 0 HEAARO CCc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)no1 ZINC000082108814 559038782 /nfs/dbraw/zinc/03/87/82/559038782.db2.gz VBBJDXFRKGPYJE-QGZVFWFLSA-N 1 0 412.538 2.020 50 0 HEAARO CN(CCC(C)(C)O)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109115 559038888 /nfs/dbraw/zinc/03/88/88/559038888.db2.gz MZNYMLAVYBKZAM-HXUWFJFHSA-N 1 0 402.583 2.377 50 0 HEAARO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082120914 559039561 /nfs/dbraw/zinc/03/95/61/559039561.db2.gz YGTQRBMYAVGRQM-NRFANRHFSA-N 1 0 410.566 2.150 50 0 HEAARO Cc1noc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082127019 559039804 /nfs/dbraw/zinc/03/98/04/559039804.db2.gz ARWHPZQYNRAWQT-IBGZPJMESA-N 1 0 412.538 2.108 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000082139071 559040675 /nfs/dbraw/zinc/04/06/75/559040675.db2.gz PZKXVESXEKVTAR-GOSISDBHSA-N 1 0 407.518 2.110 50 0 HEAARO O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082147579 559041003 /nfs/dbraw/zinc/04/10/03/559041003.db2.gz PESWYJVKPYTECH-HXUWFJFHSA-N 1 0 400.567 2.179 50 0 HEAARO O=C(c1ncoc1C1CC1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082148142 559041034 /nfs/dbraw/zinc/04/10/34/559041034.db2.gz QEBCNFLJCUSIOA-QGZVFWFLSA-N 1 0 400.523 2.491 50 0 HEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082157050 559041516 /nfs/dbraw/zinc/04/15/16/559041516.db2.gz YREAQNHMVBVOQC-LJQANCHMSA-N 1 0 408.550 2.486 50 0 HEAARO Cc1nc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)no1 ZINC000082160369 559041783 /nfs/dbraw/zinc/04/17/83/559041783.db2.gz HPGOJVARMIGLRZ-IBGZPJMESA-N 1 0 412.538 2.108 50 0 HEAARO Cn1cccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082166362 559042054 /nfs/dbraw/zinc/04/20/54/559042054.db2.gz QYFOZFFUAKKOFS-GOSISDBHSA-N 1 0 409.534 2.053 50 0 HEAARO CC(C)Oc1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c1 ZINC000095370965 559080246 /nfs/dbraw/zinc/08/02/46/559080246.db2.gz KBRBCPRNZTYUDF-IRLDBZIGSA-N 1 0 403.567 2.324 50 0 HEAARO C[NH2+][C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)OC)cn(C4CC4)c3c2OC)C1 ZINC000097756828 559121028 /nfs/dbraw/zinc/12/10/28/559121028.db2.gz RXDQKWFYGOKOEZ-GFCCVEGCSA-N 1 0 403.454 2.459 50 0 HEAARO CC[NH+](CC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C ZINC000005058434 559238739 /nfs/dbraw/zinc/23/87/39/559238739.db2.gz ZYPRBOSTIHPLFZ-UHFFFAOYSA-N 1 0 423.535 2.031 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000005345817 560569957 /nfs/dbraw/zinc/56/99/57/560569957.db2.gz KYZBMKUVKDJACM-KGWSRGFLSA-N 1 0 419.909 2.143 50 0 HEAARO COC(=O)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000062580539 560631444 /nfs/dbraw/zinc/63/14/44/560631444.db2.gz AIAQADZNFRFXGO-DFLMZXFUSA-N 1 0 405.539 2.445 50 0 HEAARO COC(=O)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000062580541 560631463 /nfs/dbraw/zinc/63/14/63/560631463.db2.gz AIAQADZNFRFXGO-YMXMSLLWSA-N 1 0 405.539 2.445 50 0 HEAARO COc1ccccc1[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCCC1 ZINC000018011539 560762346 /nfs/dbraw/zinc/76/23/46/560762346.db2.gz VLUIOLQAWJFIJF-FQEVSTJZSA-N 1 0 406.486 2.428 50 0 HEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652724 560779405 /nfs/dbraw/zinc/77/94/05/560779405.db2.gz WSHZHCSWFTULAL-TZWRJOPASA-N 1 0 418.586 2.219 50 0 HEAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000107090142 560895424 /nfs/dbraw/zinc/89/54/24/560895424.db2.gz AXQSCQPXECAXDX-AKHDSKFASA-N 1 0 419.566 2.455 50 0 HEAARO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000048332970 568439343 /nfs/dbraw/zinc/43/93/43/568439343.db2.gz HAXLPDONYGUXDJ-UHFFFAOYSA-N 1 0 407.518 2.409 50 0 HEAARO CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 ZINC000024747084 568461024 /nfs/dbraw/zinc/46/10/24/568461024.db2.gz NSHJUQLHJGUUOS-UHFFFAOYSA-N 1 0 421.588 2.483 50 0 HEAARO COCCC(=O)N1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000014963650 568487752 /nfs/dbraw/zinc/48/77/52/568487752.db2.gz AKHXDYDZIPWOEF-UHFFFAOYSA-N 1 0 411.930 2.038 50 0 HEAARO CCCCS(=O)(=O)NCC(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000095445103 568611667 /nfs/dbraw/zinc/61/16/67/568611667.db2.gz NHBHQBAHBKXYAB-ROUUACIJSA-N 1 0 409.596 2.321 50 0 HEAARO CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000095462010 568621249 /nfs/dbraw/zinc/62/12/49/568621249.db2.gz FCUVOLFTYDLHGC-UHFFFAOYSA-N 1 0 402.516 2.324 50 0 HEAARO Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)C2)cc1 ZINC000225393527 568633634 /nfs/dbraw/zinc/63/36/34/568633634.db2.gz WGLNHJOLUZBBJB-NRFANRHFSA-N 1 0 414.594 2.380 50 0 HEAARO CSCC[C@@H]1[NH2+][C@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020610861 568636917 /nfs/dbraw/zinc/63/69/17/568636917.db2.gz HGEBMVUMLBLGLT-RQXXJAGISA-N 1 0 413.543 2.411 50 0 biogenic HEAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000020610787 568637070 /nfs/dbraw/zinc/63/70/70/568637070.db2.gz GWRJPJGBVZPRFD-KTIHBUSBSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO CSCC[C@@H]1[NH2+][C@@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020611647 568637624 /nfs/dbraw/zinc/63/76/24/568637624.db2.gz FRCWUYJLWKGFRZ-GEYWLOKFSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO Cc1ccc([C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)[NH+]2CCCC2)o1 ZINC000225522729 568646598 /nfs/dbraw/zinc/64/65/98/568646598.db2.gz MSBMEALNMAWFCD-VLCRHTCISA-N 1 0 411.502 2.440 50 0 HEAARO CC[NH+]1CCN([C@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097912 568665420 /nfs/dbraw/zinc/66/54/20/568665420.db2.gz HOCWLVGZCSNMDJ-OAQYLSRUSA-N 1 0 403.498 2.375 50 0 HEAARO C[NH+](C)Cc1ccc(N2CCN(C(=O)c3cccnc3OCC(F)(F)F)CC2)nc1 ZINC000095959737 568669841 /nfs/dbraw/zinc/66/98/41/568669841.db2.gz AWGCJICETLNJCV-UHFFFAOYSA-N 1 0 423.439 2.442 50 0 HEAARO Cc1nn(CC(=O)NCC[NH+]2CCCCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400182 568749437 /nfs/dbraw/zinc/74/94/37/568749437.db2.gz LDUGSKKGSDKXCZ-UHFFFAOYSA-N 1 0 411.531 2.431 50 0 HEAARO O=C(c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1)N1CC[NH2+]CC1 ZINC000000959965 568758288 /nfs/dbraw/zinc/75/82/88/568758288.db2.gz CPZAHBAZWPLJJC-UHFFFAOYSA-N 1 0 424.888 2.163 50 0 HEAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2C)N2CC[NH+](C)CC2)cc1 ZINC000022579364 568770335 /nfs/dbraw/zinc/77/03/35/568770335.db2.gz UPGVPXZNYMESBT-HXUWFJFHSA-N 1 0 421.538 2.410 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582641 568770661 /nfs/dbraw/zinc/77/06/61/568770661.db2.gz PZOXLNYOERLJQA-OAQYLSRUSA-N 1 0 403.548 2.271 50 0 HEAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 ZINC000002941230 568819361 /nfs/dbraw/zinc/81/93/61/568819361.db2.gz FWPIJAKCXWYLJB-OAQYLSRUSA-N 1 0 420.579 2.241 50 0 HEAARO Cc1sc2ncnc(N[C@@H](C)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)c2c1C ZINC000057470742 568838672 /nfs/dbraw/zinc/83/86/72/568838672.db2.gz WFXBDGAHJRSWDP-INIZCTEOSA-N 1 0 416.595 2.349 50 0 HEAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(-n3ccnc3)cc2)N1)OCCCO4 ZINC000012547323 568850848 /nfs/dbraw/zinc/85/08/48/568850848.db2.gz XGTVOCRTUNZODO-LJQANCHMSA-N 1 0 401.430 2.480 50 0 HEAARO C[C@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299769488 568874203 /nfs/dbraw/zinc/87/42/03/568874203.db2.gz RXLFVMSNABCDAN-AOMKIAJQSA-N 1 0 403.498 2.175 50 0 HEAARO O=C1C[C@@H](C[N@H+]2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1 ZINC000299772810 568874441 /nfs/dbraw/zinc/87/44/41/568874441.db2.gz AFOCWNSHVQOZKN-IBGZPJMESA-N 1 0 402.502 2.175 50 0 HEAARO Cc1cc(C)cc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299774815 568874531 /nfs/dbraw/zinc/87/45/31/568874531.db2.gz IMMKMPSZEJUHIW-JOCHJYFZSA-N 1 0 413.562 2.383 50 0 HEAARO Nc1ncccc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778296 568874746 /nfs/dbraw/zinc/87/47/46/568874746.db2.gz PZLLJQRCQBHBGW-HXUWFJFHSA-N 1 0 414.481 2.074 50 0 HEAARO CC(C)c1ccc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nn1 ZINC000299789984 568875875 /nfs/dbraw/zinc/87/58/75/568875875.db2.gz ALKAEGZEJBAIRM-LJQANCHMSA-N 1 0 401.555 2.361 50 0 HEAARO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1NC(=O)C1CCCC1 ZINC000670445145 568910829 /nfs/dbraw/zinc/91/08/29/568910829.db2.gz PHZUABMUVSTJOI-IBGZPJMESA-N 1 0 414.550 2.441 50 0 HEAARO Cc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1NC(=O)C1CCCC1 ZINC000670445146 568910851 /nfs/dbraw/zinc/91/08/51/568910851.db2.gz PHZUABMUVSTJOI-LJQANCHMSA-N 1 0 414.550 2.441 50 0 HEAARO COc1cc(C(=O)NCCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000004111959 568944144 /nfs/dbraw/zinc/94/41/44/568944144.db2.gz SQXDINGGQNEVQW-INIZCTEOSA-N 1 0 421.538 2.213 50 0 HEAARO O=C(Cn1cc(C(=O)C(=O)NCCC[NH+]2CCCC2)c2ccccc21)N1CCCCC1 ZINC000004272376 568957337 /nfs/dbraw/zinc/95/73/37/568957337.db2.gz NLZWMLXDFXZWKU-UHFFFAOYSA-N 1 0 424.545 2.439 50 0 HEAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000004305647 568960294 /nfs/dbraw/zinc/96/02/94/568960294.db2.gz ILAGISOMWLFICY-GOSISDBHSA-N 1 0 400.548 2.036 50 0 HEAARO COc1ccc([C@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)[NH+]2CCCC2)cc1 ZINC000008231443 568984157 /nfs/dbraw/zinc/98/41/57/568984157.db2.gz RUELDHFXRJYVOV-QFIPXVFZSA-N 1 0 420.513 2.438 50 0 HEAARO COc1ccccc1[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)[NH+]1CCCC1 ZINC000006084803 568997153 /nfs/dbraw/zinc/99/71/53/568997153.db2.gz JHKBGYPXTMVNPC-UXHICEINSA-N 1 0 410.518 2.228 50 0 HEAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 ZINC000012918907 569022725 /nfs/dbraw/zinc/02/27/25/569022725.db2.gz ZXVNYQCFGKUASP-UHFFFAOYSA-N 1 0 407.580 2.305 50 0 HEAARO O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC[N@@H+](C2CCSCC2)CC1 ZINC000575617705 569037572 /nfs/dbraw/zinc/03/75/72/569037572.db2.gz QLGXAEHHBGVTOR-UHFFFAOYSA-N 1 0 412.577 2.440 50 0 HEAARO O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000229332462 569040465 /nfs/dbraw/zinc/04/04/65/569040465.db2.gz LPOSHOOILPGRAI-AEFFLSMTSA-N 1 0 420.510 2.233 50 0 HEAARO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cccc(NC(=O)C4CC4)c3)cn2)CC1 ZINC000012985223 569047718 /nfs/dbraw/zinc/04/77/18/569047718.db2.gz MCUMPCJVYMGLNI-UHFFFAOYSA-N 1 0 422.533 2.181 50 0 HEAARO O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252570575 569051328 /nfs/dbraw/zinc/05/13/28/569051328.db2.gz WUMOGGAJJHRNBD-NZSAHSFTSA-N 1 0 416.497 2.221 50 0 HEAARO O=c1cc(C[NH+]2CCCCCC2)oc(CN2CCN(CC(F)(F)F)CC2)c1O ZINC000253406832 569051409 /nfs/dbraw/zinc/05/14/09/569051409.db2.gz JIGWYYCTMJLQTO-UHFFFAOYSA-N 1 0 403.445 2.401 50 0 HEAARO CSCC[C@@H](C(=O)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)n1cccc1 ZINC000524729501 569051689 /nfs/dbraw/zinc/05/16/89/569051689.db2.gz WBNCFYSTDOJRQE-HBFSDRIKSA-N 1 0 414.575 2.180 50 0 HEAARO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000035828301 569061564 /nfs/dbraw/zinc/06/15/64/569061564.db2.gz OERSRGYSEPJQEZ-ZRNYENFQSA-N 1 0 404.422 2.384 50 0 HEAARO COCC[NH+]1CCN(c2nc3nn(C)c(N)c3c(-c3ccccc3Cl)n2)CC1 ZINC000035929829 569066721 /nfs/dbraw/zinc/06/67/21/569066721.db2.gz GJURMLVRXHCXQQ-UHFFFAOYSA-N 1 0 401.902 2.034 50 0 HEAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006580020 569066837 /nfs/dbraw/zinc/06/68/37/569066837.db2.gz YENCCWUXGFEIHT-RBUKOAKNSA-N 1 0 405.564 2.032 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000035991047 569074573 /nfs/dbraw/zinc/07/45/73/569074573.db2.gz DTFKTIFFYGGZJN-SFHVURJKSA-N 1 0 406.914 2.101 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C)cc1C ZINC000035991706 569074673 /nfs/dbraw/zinc/07/46/73/569074673.db2.gz NXMMANLMSABBPR-HXUWFJFHSA-N 1 0 400.523 2.064 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)c2nc(-c3ccc(N4CCCCC4)cc3)no2)CC1 ZINC000064746359 569088221 /nfs/dbraw/zinc/08/82/21/569088221.db2.gz PFWDHKZJDAPTTN-UHFFFAOYSA-N 1 0 412.538 2.094 50 0 HEAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc(C)[nH+]1 ZINC000064800498 569097356 /nfs/dbraw/zinc/09/73/56/569097356.db2.gz STQTXTRELSZPJK-UHFFFAOYSA-N 1 0 405.524 2.045 50 0 HEAARO Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000006806202 569130855 /nfs/dbraw/zinc/13/08/55/569130855.db2.gz MKVDJBFTCJQLNB-KRWDZBQOSA-N 1 0 402.568 2.374 50 0 HEAARO Cc1c2cnn(CC(=O)NCC[NH+](C)C)c(=O)c2c(C)n1Cc1cccc(Cl)c1 ZINC000006808016 569132333 /nfs/dbraw/zinc/13/23/33/569132333.db2.gz YRFUIUSBVUGJPM-UHFFFAOYSA-N 1 0 415.925 2.194 50 0 HEAARO Cc1c2cnn(CC(=O)NCC[NH+](C)C)c(=O)c2c(C)n1Cc1ccccc1Cl ZINC000006808003 569132364 /nfs/dbraw/zinc/13/23/64/569132364.db2.gz UPAIGBOKINGABT-UHFFFAOYSA-N 1 0 415.925 2.194 50 0 HEAARO CC[NH+]1CCN(c2ccc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)nn2)CC1 ZINC000065009199 569153317 /nfs/dbraw/zinc/15/33/17/569153317.db2.gz MMAZOFCWYUYJMC-UHFFFAOYSA-N 1 0 415.563 2.378 50 0 HEAARO CCn1c(C[N@@H+]2CCC[C@H](C)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908103 569178712 /nfs/dbraw/zinc/17/87/12/569178712.db2.gz NCOQCEAQLYOWIY-INIZCTEOSA-N 1 0 406.552 2.309 50 0 HEAARO COc1ccc(CC[NH2+]C[C@@H](O)COCc2ccc(OC)c(OC)c2)cc1OC ZINC000007015531 569200854 /nfs/dbraw/zinc/20/08/54/569200854.db2.gz WSYFRFFNPZGPDC-GOSISDBHSA-N 1 0 405.491 2.431 50 0 HEAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(S(=O)(=O)NC)c1)Cc1ccccc1 ZINC000037176749 569239555 /nfs/dbraw/zinc/23/95/55/569239555.db2.gz PAUNORNXSMCTBB-IBGZPJMESA-N 1 0 403.548 2.278 50 0 HEAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2c(OC)n1)[C@H]1CCS(=O)(=O)C1 ZINC000089968977 569270275 /nfs/dbraw/zinc/27/02/75/569270275.db2.gz QFXSPNAZBZUJJJ-KRWDZBQOSA-N 1 0 419.547 2.215 50 0 HEAARO Cn1cccc1[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC000252444212 569285925 /nfs/dbraw/zinc/28/59/25/569285925.db2.gz SFEZCQIVQMTUHQ-WMZHIEFXSA-N 1 0 423.517 2.137 50 0 HEAARO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000252587539 569294873 /nfs/dbraw/zinc/29/48/73/569294873.db2.gz YZNYCCKMSMJLHZ-MSOLQXFVSA-N 1 0 424.586 2.273 50 0 HEAARO CCCNC(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820200 569321067 /nfs/dbraw/zinc/32/10/67/569321067.db2.gz XLULRFCJKMWXHU-LJQANCHMSA-N 1 0 401.555 2.337 50 0 HEAARO Cc1nc2sc3c(c2c2nc(C(=O)NCCC[NH+](C)C)nn21)CC(C)(C)OC3 ZINC000002235940 569321580 /nfs/dbraw/zinc/32/15/80/569321580.db2.gz ZZEKEGOQCWYWJQ-UHFFFAOYSA-N 1 0 402.524 2.180 50 0 HEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404727 569365841 /nfs/dbraw/zinc/36/58/41/569365841.db2.gz DOCVFDBFTJOYLG-RBBKRZOGSA-N 1 0 423.561 2.408 50 0 HEAARO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000078974958 569422581 /nfs/dbraw/zinc/42/25/81/569422581.db2.gz HHYRRXDBCNQYEF-ZDUSSCGKSA-N 1 0 400.464 2.140 50 0 HEAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000079025709 569424794 /nfs/dbraw/zinc/42/47/94/569424794.db2.gz OZIIFTIQZAMOMG-IEBWSBKVSA-N 1 0 418.607 2.158 50 0 HEAARO O[C@H](C[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@H]1CCCO1 ZINC000079076638 569427115 /nfs/dbraw/zinc/42/71/15/569427115.db2.gz TVAPYPRYQXODOA-HZPDHXFCSA-N 1 0 423.439 2.219 50 0 HEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(Br)ccc1-n1cnnn1 ZINC000079193471 569429516 /nfs/dbraw/zinc/42/95/16/569429516.db2.gz VCAFVKVZUMCCOR-XJKSGUPXSA-N 1 0 419.327 2.419 50 0 biogenic HEAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccccc1Cl ZINC000067287344 571065259 /nfs/dbraw/zinc/06/52/59/571065259.db2.gz UYIMEBOAOBOGHN-GOSISDBHSA-N 1 0 406.914 2.149 50 0 HEAARO CSc1cccc(N2C[C@H](C(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2=O)c1 ZINC000040086627 571157097 /nfs/dbraw/zinc/15/70/97/571157097.db2.gz USNCGMBRXBULGC-BRWVUGGUSA-N 1 0 405.564 2.377 50 0 HEAARO Cc1cc(NC(=O)CSCC(=O)N(CCc2ccccc2)CC[NH+](C)C)no1 ZINC000040121238 571177219 /nfs/dbraw/zinc/17/72/19/571177219.db2.gz FDBBZQKIGZDGBM-UHFFFAOYSA-N 1 0 404.536 2.288 50 0 HEAARO COc1ccc(OC[C@@H](O)CN(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229444 571217957 /nfs/dbraw/zinc/21/79/57/571217957.db2.gz YBIFJVOZFCLFHN-OALUTQOASA-N 1 0 423.506 2.263 50 0 HEAARO COc1cc(C(=O)Nc2ccccc2C(=O)NCC[NH+](C)C)cc(OC)c1OC ZINC000010312697 571300067 /nfs/dbraw/zinc/30/00/67/571300067.db2.gz RLGAPDOFXMDMAF-UHFFFAOYSA-N 1 0 401.463 2.256 50 0 HEAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000077104283 571311709 /nfs/dbraw/zinc/31/17/09/571311709.db2.gz GYBGZBJUFOIQMT-UHFFFAOYSA-N 1 0 401.488 2.411 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nccc4sccc43)C2)CC1 ZINC000033174361 571315852 /nfs/dbraw/zinc/31/58/52/571315852.db2.gz LNDFXZBWRPZMPS-KRWDZBQOSA-N 1 0 401.580 2.266 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCc2nc(-c3ccccc3)ncc2C1=O ZINC000581787511 1078760877 /nfs/dbraw/zinc/76/08/77/1078760877.db2.gz NUQRLPFITFVKGQ-SFHVURJKSA-N 1 0 407.518 2.133 50 0 HEAARO COc1cccc(CC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C)CC2)CCO3)c1 ZINC000581784125 1078763898 /nfs/dbraw/zinc/76/38/98/1078763898.db2.gz DVYABIAKBOXEQT-FQEVSTJZSA-N 1 0 401.551 2.025 50 0 HEAARO CCC[N@H+](C)CC1(O)CCC2(CCN(S(=O)(=O)c3cnn(CC)c3)CC2)CC1 ZINC000581791340 1078774499 /nfs/dbraw/zinc/77/44/99/1078774499.db2.gz ZVTZYJYHHQEADO-UHFFFAOYSA-N 1 0 412.600 2.321 50 0 HEAARO Cc1cc(C[NH+]2CCC(Cc3ccc(CCNS(C)(=O)=O)cc3)CC2)n(C)n1 ZINC000581813228 1078779371 /nfs/dbraw/zinc/77/93/71/1078779371.db2.gz MKWCTUDGJRMNLA-UHFFFAOYSA-N 1 0 404.580 2.275 50 0 HEAARO O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122633 132327495 /nfs/dbraw/zinc/32/74/95/132327495.db2.gz VWUDZMZYORGQGZ-UHFFFAOYSA-N 1 0 420.922 2.138 50 0 HEAARO COc1ccc([C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)[NH+]2CCCC2)cc1 ZINC000009606748 132341530 /nfs/dbraw/zinc/34/15/30/132341530.db2.gz BADIPKVBQCSQTJ-HXUWFJFHSA-N 1 0 410.522 2.154 50 0 HEAARO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000011771335 132350312 /nfs/dbraw/zinc/35/03/12/132350312.db2.gz OEFKXNFRXARCSI-DEOSSOPVSA-N 1 0 408.546 2.190 50 0 HEAARO CC(C)CC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000011937788 132352360 /nfs/dbraw/zinc/35/23/60/132352360.db2.gz KZBQXKZOZPZMCS-NRFANRHFSA-N 1 0 400.567 2.182 50 0 HEAARO O[C@@H]1C[N@@H+](C2CSCCSC2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012438707 132360115 /nfs/dbraw/zinc/36/01/15/132360115.db2.gz ADEXLBWPFIJMCJ-WOJBJXKFSA-N 1 0 411.612 2.232 50 0 HEAARO CCC[NH+]1CCN([C@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023310379 519860017 /nfs/dbraw/zinc/86/00/17/519860017.db2.gz CVVXKGSSDZJBKS-SFHVURJKSA-N 1 0 413.541 2.374 50 0 HEAARO CC[NH+](CC)CCCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000020562992 520612613 /nfs/dbraw/zinc/61/26/13/520612613.db2.gz QRGFMMJWDSKPIZ-UHFFFAOYSA-N 1 0 410.522 2.047 50 0 HEAARO COc1ccc(-n2ccnc2SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000024097255 523337168 /nfs/dbraw/zinc/33/71/68/523337168.db2.gz QHTWSCAZMPHRQK-IBGZPJMESA-N 1 0 418.563 2.446 50 0 HEAARO COc1ccccc1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)c(F)c1 ZINC000045966553 524437506 /nfs/dbraw/zinc/43/75/06/524437506.db2.gz JENYHGZXRBKRMT-UHFFFAOYSA-N 1 0 417.456 2.438 50 0 HEAARO C[C@@H]1NC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000032655462 525551301 /nfs/dbraw/zinc/55/13/01/525551301.db2.gz PROZCSZSWXDMTO-KRWDZBQOSA-N 1 0 405.502 2.106 50 0 HEAARO O=C(CC(F)(F)F)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600335 526322192 /nfs/dbraw/zinc/32/21/92/526322192.db2.gz OGAKWSOHRGMKEH-INIZCTEOSA-N 1 0 413.440 2.476 50 0 HEAARO CC(C)CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CC[NH2+]CC2)n1 ZINC000004676177 535171397 /nfs/dbraw/zinc/17/13/97/535171397.db2.gz IAJVOBNXFIHPLP-UHFFFAOYSA-N 1 0 402.343 2.221 50 0 HEAARO CC(C)CC(=O)NCCn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000035590423 535379243 /nfs/dbraw/zinc/37/92/43/535379243.db2.gz CBLSNFMXKAZMKY-UHFFFAOYSA-N 1 0 421.549 2.311 50 0 HEAARO C[NH+](C)CCNC(=O)c1csc(CN2CCN(c3ccccc3Cl)CC2)n1 ZINC000034685295 557388251 /nfs/dbraw/zinc/38/82/51/557388251.db2.gz BRBOVMOWSJYEEM-UHFFFAOYSA-N 1 0 407.971 2.410 50 0 HEAARO CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008739482 557803460 /nfs/dbraw/zinc/80/34/60/557803460.db2.gz NLSDEMZBKFHSET-UHFFFAOYSA-N 1 0 423.561 2.491 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc(F)cc2)CC1 ZINC000022778666 557821438 /nfs/dbraw/zinc/82/14/38/557821438.db2.gz FILWTMCVDFKCQF-IBGZPJMESA-N 1 0 402.445 2.008 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795462 557822579 /nfs/dbraw/zinc/82/25/79/557822579.db2.gz XCSUSPVQMGGGOU-QFIPXVFZSA-N 1 0 424.545 2.355 50 0 HEAARO C[NH+]1CCC(N2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)CC1 ZINC000019742522 558263010 /nfs/dbraw/zinc/26/30/10/558263010.db2.gz MBOUDOXMGOPCSL-NRFANRHFSA-N 1 0 411.550 2.232 50 0 HEAARO Cc1cccn2c(C[NH2+]CC(C)(C)N3CCOCC3)c(C(=O)N3CCCCC3)nc12 ZINC000019759033 558275622 /nfs/dbraw/zinc/27/56/22/558275622.db2.gz HSIRQDIJWDQRQC-UHFFFAOYSA-N 1 0 413.566 2.469 50 0 HEAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771049 558279775 /nfs/dbraw/zinc/27/97/75/558279775.db2.gz OBSAWMCJIMPABH-RBUKOAKNSA-N 1 0 414.502 2.035 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1OC ZINC000011839108 558285995 /nfs/dbraw/zinc/28/59/95/558285995.db2.gz JIJOMSRUMOUFDJ-IBGZPJMESA-N 1 0 405.539 2.197 50 0 HEAARO CC(C)(C)C[NH+]1CCC(Oc2cccc(C(=O)NCCN3CCNC3=O)c2)CC1 ZINC000011844249 558289035 /nfs/dbraw/zinc/28/90/35/558289035.db2.gz PNWWUKMXEBLMKU-UHFFFAOYSA-N 1 0 402.539 2.331 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C ZINC000019839239 558293496 /nfs/dbraw/zinc/29/34/96/558293496.db2.gz DXIGVQRDIHPTEX-UHFFFAOYSA-N 1 0 420.517 2.021 50 0 HEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011879084 558293677 /nfs/dbraw/zinc/29/36/77/558293677.db2.gz MAMZFPMAKBCNQB-LJQANCHMSA-N 1 0 412.534 2.206 50 0 HEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011879975 558294747 /nfs/dbraw/zinc/29/47/47/558294747.db2.gz BAHRBXSYQLNTBF-NRFANRHFSA-N 1 0 417.594 2.255 50 0 HEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011996698 558306819 /nfs/dbraw/zinc/30/68/19/558306819.db2.gz UZBTXGNANGUCPF-FQEVSTJZSA-N 1 0 405.558 2.385 50 0 HEAARO CSc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012031336 558311380 /nfs/dbraw/zinc/31/13/80/558311380.db2.gz PZESXPQZCLTDAH-SFHVURJKSA-N 1 0 423.608 2.305 50 0 HEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000020248948 558351569 /nfs/dbraw/zinc/35/15/69/558351569.db2.gz YSVFEJRCUTXNEO-KRWDZBQOSA-N 1 0 413.499 2.283 50 0 HEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCC1=O ZINC000012297737 558367868 /nfs/dbraw/zinc/36/78/68/558367868.db2.gz GNVFGZSUNAYYDC-HXUWFJFHSA-N 1 0 401.551 2.421 50 0 HEAARO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020517776 558383108 /nfs/dbraw/zinc/38/31/08/558383108.db2.gz KRMINIISJISQMD-PZTGFMGMSA-N 1 0 417.506 2.242 50 0 HEAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]C[C@@H]1COCCO1 ZINC000012446802 558414310 /nfs/dbraw/zinc/41/43/10/558414310.db2.gz GMTYWGSATNYVHW-QGZVFWFLSA-N 1 0 414.531 2.216 50 0 HEAARO CCN1C[C@H](C[N@H+](C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012447033 558414626 /nfs/dbraw/zinc/41/46/26/558414626.db2.gz LHZXICLXENKCSU-AWEZNQCLSA-N 1 0 402.495 2.403 50 0 HEAARO CCOc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1O ZINC000020998614 558427276 /nfs/dbraw/zinc/42/72/76/558427276.db2.gz ZSBBWBMHTNMIEW-HNNXBMFYSA-N 1 0 401.511 2.274 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)CC)CC3)cc2C)CC1 ZINC000021759589 558447957 /nfs/dbraw/zinc/44/79/57/558447957.db2.gz KYEPSJMWALRJLX-UHFFFAOYSA-N 1 0 422.595 2.137 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000021795260 558449538 /nfs/dbraw/zinc/44/95/38/558449538.db2.gz HMBUPGJEAAATDM-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012755435 558460118 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407.561 2.491 50 0 HEAARO C[C@H]1Cc2cc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)ccc2N1S(C)(=O)=O ZINC000023133198 558537338 /nfs/dbraw/zinc/53/73/38/558537338.db2.gz AJAHPHLUQWPGFC-UGSOOPFHSA-N 1 0 407.561 2.491 50 0 HEAARO CC[NH+](CC)CCN(C)[C@@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000023158334 558539974 /nfs/dbraw/zinc/53/99/74/558539974.db2.gz YXSJZKHTRVZIHA-QGZVFWFLSA-N 1 0 401.555 2.416 50 0 HEAARO CC[NH+]1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000014197136 558633828 /nfs/dbraw/zinc/63/38/28/558633828.db2.gz XJDQHCMEDRPQPS-QGZVFWFLSA-N 1 0 401.960 2.243 50 0 HEAARO O=C(NC1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000025304994 558637246 /nfs/dbraw/zinc/63/72/46/558637246.db2.gz YLNGEKALWJWYIM-HXUWFJFHSA-N 1 0 412.486 2.187 50 0 HEAARO O=C(NC1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000025304998 558637263 /nfs/dbraw/zinc/63/72/63/558637263.db2.gz YLNGEKALWJWYIM-FQEVSTJZSA-N 1 0 412.486 2.187 50 0 HEAARO 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409.873 2.323 50 0 HEAARO C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000072308553 558769779 /nfs/dbraw/zinc/76/97/79/558769779.db2.gz CMPITBUOJKWALO-VOQZNFBZSA-N 1 0 407.514 2.386 50 0 HEAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2C)c1 ZINC000033034150 558858324 /nfs/dbraw/zinc/85/83/24/558858324.db2.gz IKXGCFJPLDVODQ-UHFFFAOYSA-N 1 0 416.547 2.264 50 0 HEAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2ccccc2-c2nn3c(C)csc3nc2=O)C1 ZINC000055227543 558876760 /nfs/dbraw/zinc/87/67/60/558876760.db2.gz DDIDTJAGIHVZAB-AWEZNQCLSA-N 1 0 413.503 2.033 50 0 HEAARO COc1ccc(C[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993532 558893188 /nfs/dbraw/zinc/89/31/88/558893188.db2.gz YNISYUGGABUNQW-OFNKIYASSA-N 1 0 400.519 2.270 50 0 HEAARO CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)cc(C(C)C)nc21 ZINC000058049047 558896710 /nfs/dbraw/zinc/89/67/10/558896710.db2.gz OCVYDRCJJJVZPA-HNNXBMFYSA-N 1 0 415.538 2.078 50 0 HEAARO 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Nc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082138734 559040627 /nfs/dbraw/zinc/04/06/27/559040627.db2.gz RHOBSWREDQLQER-IBGZPJMESA-N 1 0 408.550 2.099 50 0 HEAARO O=C(CC(F)(F)F)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082139194 559040859 /nfs/dbraw/zinc/04/08/59/559040859.db2.gz UAGMGDRHNYOOAA-OAHLLOKOSA-N 1 0 412.456 2.353 50 0 HEAARO CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082161992 559041910 /nfs/dbraw/zinc/04/19/10/559041910.db2.gz QBUFIIAUJAEERJ-FQEVSTJZSA-N 1 0 408.550 2.207 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH2+]CCCN1CCOCC1)CCC2 ZINC000004748587 559048681 /nfs/dbraw/zinc/04/86/81/559048681.db2.gz FMKUAJGASHZBKM-UHFFFAOYSA-N 1 0 409.552 2.054 50 0 HEAARO O=c1cc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)[nH]c2c(F)cccc12 ZINC000091713124 559073175 /nfs/dbraw/zinc/07/31/75/559073175.db2.gz YPYQTUHJILYVAI-UZLBHIALSA-N 1 0 403.498 2.375 50 0 HEAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000095496459 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Cn1cc(-n2cc(C(=O)NC[C@@H]3CCCC[N@@H+]3Cc3ccccc3)ccc2=O)cn1 ZINC000095940419 568661689 /nfs/dbraw/zinc/66/16/89/568661689.db2.gz RHAFBDYNULGPPZ-FQEVSTJZSA-N 1 0 405.502 2.356 50 0 HEAARO CC[NH+]1CCN([C@@H](c2ccc(F)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097907 568665302 /nfs/dbraw/zinc/66/53/02/568665302.db2.gz HOCWLVGZCSNMDJ-NRFANRHFSA-N 1 0 403.498 2.375 50 0 HEAARO Cc1cc2n(n1)CCCN2C(=O)CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021532764 568711344 /nfs/dbraw/zinc/71/13/44/568711344.db2.gz NRHLDUNHOKRKBO-UHFFFAOYSA-N 1 0 409.534 2.489 50 0 HEAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000229655455 568714979 /nfs/dbraw/zinc/71/49/79/568714979.db2.gz AXQSCQPXECAXDX-ZSYWTGECSA-N 1 0 419.566 2.455 50 0 HEAARO O=C(Nc1nccnc1C(=O)NC1CC[NH+](Cc2ccc[nH]2)CC1)c1ccccc1 ZINC000096281603 568718991 /nfs/dbraw/zinc/71/89/91/568718991.db2.gz VTCBXLINICPUOU-UHFFFAOYSA-N 1 0 404.474 2.451 50 0 HEAARO O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096345295 568737447 /nfs/dbraw/zinc/73/74/47/568737447.db2.gz GTLCSHPAYGQWHE-UHFFFAOYSA-N 1 0 412.509 2.432 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000096385827 568742185 /nfs/dbraw/zinc/74/21/85/568742185.db2.gz HCXILHICNSGJFA-INIZCTEOSA-N 1 0 411.481 2.317 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582891 568770950 /nfs/dbraw/zinc/77/09/50/568770950.db2.gz LOYNHUJRJWPOHC-SIKLNZKXSA-N 1 0 408.546 2.277 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022582863 568771008 /nfs/dbraw/zinc/77/10/08/568771008.db2.gz OUMUYJSRGFRBRU-HXUWFJFHSA-N 1 0 416.472 2.317 50 0 HEAARO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673917 568781836 /nfs/dbraw/zinc/78/18/36/568781836.db2.gz NQTLWJWSSSAQQO-HNNXBMFYSA-N 1 0 406.324 2.356 50 0 HEAARO OCC[NH+](C[C@@H](O)Cn1ccc2ccccc21)C[C@@H](O)Cn1ccc2ccccc21 ZINC000002707532 568801932 /nfs/dbraw/zinc/80/19/32/568801932.db2.gz FWGHSGUHZNFIPN-FGZHOGPDSA-N 1 0 407.514 2.312 50 0 HEAARO CCCCCCn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952441 568822211 /nfs/dbraw/zinc/82/22/11/568822211.db2.gz ILRSWWQLQMCSHH-UHFFFAOYSA-N 1 0 424.549 2.326 50 0 HEAARO Cc1ccccc1C[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCC(C)C)CC1 ZINC000056952500 568822231 /nfs/dbraw/zinc/82/22/31/568822231.db2.gz VRDTUNXRXWQYQZ-UHFFFAOYSA-N 1 0 424.549 2.100 50 0 HEAARO COc1ccc(C[NH2+]CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000057341695 568827308 /nfs/dbraw/zinc/82/73/08/568827308.db2.gz HCSCRQNXRMJXAR-UHFFFAOYSA-N 1 0 410.474 2.230 50 0 HEAARO C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1 ZINC000230157974 568852991 /nfs/dbraw/zinc/85/29/91/568852991.db2.gz CMPITBUOJKWALO-ZPMCFJSWSA-N 1 0 407.514 2.386 50 0 HEAARO Cc1nonc1C(=O)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000299771053 568874407 /nfs/dbraw/zinc/87/44/07/568874407.db2.gz RJRSXWOVZJNMOM-SFHVURJKSA-N 1 0 415.538 2.097 50 0 HEAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)s1 ZINC000299776385 568874662 /nfs/dbraw/zinc/87/46/62/568874662.db2.gz AYRBKOBQRSETAI-OAHLLOKOSA-N 1 0 411.955 2.376 50 0 HEAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)Nc1ccccc1 ZINC000299780387 568875007 /nfs/dbraw/zinc/87/50/07/568875007.db2.gz BEFHZWICYPODBH-FQEVSTJZSA-N 1 0 400.523 2.158 50 0 HEAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)Nc1ccccc1 ZINC000299780398 568875018 /nfs/dbraw/zinc/87/50/18/568875018.db2.gz BEFHZWICYPODBH-HXUWFJFHSA-N 1 0 400.523 2.158 50 0 HEAARO Cc1c(Cl)ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1Cl ZINC000670448137 568918848 /nfs/dbraw/zinc/91/88/48/568918848.db2.gz IPJYGWJXLIQSQC-GFCCVEGCSA-N 1 0 408.351 2.168 50 0 HEAARO Cc1c(Cl)ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1Cl ZINC000670448138 568918890 /nfs/dbraw/zinc/91/88/90/568918890.db2.gz IPJYGWJXLIQSQC-LBPRGKRZSA-N 1 0 408.351 2.168 50 0 HEAARO COc1cccc(N2C[C@H](C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)CC2=O)c1 ZINC000058439890 568918899 /nfs/dbraw/zinc/91/88/99/568918899.db2.gz MYYVSJNMCLVPQI-LJQANCHMSA-N 1 0 415.534 2.009 50 0 HEAARO O=C(CCN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000084340724 568946885 /nfs/dbraw/zinc/94/68/85/568946885.db2.gz WONQJNHABOUJAN-AWEZNQCLSA-N 1 0 400.292 2.323 50 0 HEAARO O=C(Cc1c[nH]c2ccccc12)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670463567 568961081 /nfs/dbraw/zinc/96/10/81/568961081.db2.gz DBFOJKUIXZQHRI-ISISGCMPSA-N 1 0 400.526 2.394 50 0 HEAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000008129116 568974894 /nfs/dbraw/zinc/97/48/94/568974894.db2.gz XXVWULKLUBAEAB-CQSZACIVSA-N 1 0 415.515 2.272 50 0 HEAARO Fc1ccccc1N1CC[NH+](CCCNc2nn3nnnc3c3ccccc32)CC1 ZINC000015730263 568980930 /nfs/dbraw/zinc/98/09/30/568980930.db2.gz LWJLAYIUMXTENY-UHFFFAOYSA-N 1 0 406.469 2.436 50 0 HEAARO COc1ccc([C@@H](CNC(=O)Cc2n[nH]c(=O)c3ccccc23)[NH+]2CCCC2)cc1 ZINC000008231036 568984126 /nfs/dbraw/zinc/98/41/26/568984126.db2.gz IJAJVQPHWPSIBU-OAQYLSRUSA-N 1 0 406.486 2.428 50 0 HEAARO CC[NH+](CC)CCCn1c(SCC(=O)NCCCOC)nc2ccccc2c1=O ZINC000008346122 568994652 /nfs/dbraw/zinc/99/46/52/568994652.db2.gz SDIOBBDEDSRZPO-UHFFFAOYSA-N 1 0 420.579 2.373 50 0 HEAARO COc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)[NH+](C)C)cc1 ZINC000008391359 568998357 /nfs/dbraw/zinc/99/83/57/568998357.db2.gz GTOKFCBZOYAXFZ-FQEVSTJZSA-N 1 0 419.547 2.287 50 0 HEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583652902 569009337 /nfs/dbraw/zinc/00/93/37/569009337.db2.gz SKWVAMXOLBQJSB-NHCUHLMSSA-N 1 0 415.582 2.433 50 0 HEAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl ZINC000019526426 569009596 /nfs/dbraw/zinc/00/95/96/569009596.db2.gz QBVBTPOOEZQVCN-UHFFFAOYSA-N 1 0 404.902 2.291 50 0 HEAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(Cl)c2)c1 ZINC000015864105 569016309 /nfs/dbraw/zinc/01/63/09/569016309.db2.gz OVSUMAAACRUBLZ-UHFFFAOYSA-N 1 0 401.894 2.423 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000015942433 569024229 /nfs/dbraw/zinc/02/42/29/569024229.db2.gz CTHZPDZPAJRODK-KRWDZBQOSA-N 1 0 401.598 2.433 50 0 HEAARO CSCC[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000015956639 569024570 /nfs/dbraw/zinc/02/45/70/569024570.db2.gz ZDADBIPRYSLBQP-RQXXJAGISA-N 1 0 407.495 2.365 50 0 biogenic HEAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[N@H+](C)C3CCCCC3)n2C)c1 ZINC000035561191 569045047 /nfs/dbraw/zinc/04/50/47/569045047.db2.gz NNPZODSQDJWBIY-UHFFFAOYSA-N 1 0 420.579 2.423 50 0 HEAARO COC(=O)c1cn(-c2ccc([C@H](O)C[NH+]3CCCCCC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000253414163 569051501 /nfs/dbraw/zinc/05/15/01/569051501.db2.gz WQKSUBQRQPSCRY-LJQANCHMSA-N 1 0 410.474 2.361 50 0 HEAARO COc1c2c(c(CNC(=O)c3cccc(NC(C)=O)c3)c3c1C[N@H+](C)CC3)OCO2 ZINC000524729275 569051537 /nfs/dbraw/zinc/05/15/37/569051537.db2.gz MAOWGPISUCGACV-UHFFFAOYSA-N 1 0 411.458 2.300 50 0 HEAARO CCS(=O)(=O)c1ncc(CN2CC[N@@H+]3CCC[C@H]3C2)n1CCc1ccccc1 ZINC000244692021 569055110 /nfs/dbraw/zinc/05/51/10/569055110.db2.gz JNCHFZCFWKARFZ-IBGZPJMESA-N 1 0 402.564 2.199 50 0 HEAARO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN21 ZINC000245245669 569055352 /nfs/dbraw/zinc/05/53/52/569055352.db2.gz FUBRPKCOXHXZHG-ZRNYENFQSA-N 1 0 418.405 2.104 50 0 HEAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000248177419 569057682 /nfs/dbraw/zinc/05/76/82/569057682.db2.gz AXQSCQPXECAXDX-CADBVGFASA-N 1 0 419.566 2.455 50 0 HEAARO Cc1ccc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)cc1C ZINC000064459816 569063067 /nfs/dbraw/zinc/06/30/67/569063067.db2.gz WLJOOBNSGHQVED-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCc2ccccc21 ZINC000016694634 569070822 /nfs/dbraw/zinc/07/08/22/569070822.db2.gz GGMIAVRJOUKHHI-FQEVSTJZSA-N 1 0 401.532 2.002 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(F)c1 ZINC000035991635 569074679 /nfs/dbraw/zinc/07/46/79/569074679.db2.gz VQOBOXIWQMKOBT-HXUWFJFHSA-N 1 0 418.513 2.367 50 0 HEAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000064761496 569092016 /nfs/dbraw/zinc/09/20/16/569092016.db2.gz UQYGMUBKGWOQBL-LJQANCHMSA-N 1 0 417.550 2.039 50 0 HEAARO COc1cc2c(cc1OC)[C@H](C(=O)NCC[NH+](C)C)[C@H]1c3ccccc3CCN1C2=O ZINC000006729661 569102769 /nfs/dbraw/zinc/10/27/69/569102769.db2.gz RFBAMLHQIXJZME-FCHUYYIVSA-N 1 0 423.513 2.218 50 0 HEAARO COCC[NH2+][C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006784906 569121265 /nfs/dbraw/zinc/12/12/65/569121265.db2.gz DARZMPGCBXVPHO-CYBMUJFWSA-N 1 0 403.932 2.078 50 0 HEAARO CCC[NH+]1CCN(C(=O)[C@@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064971204 569138946 /nfs/dbraw/zinc/13/89/46/569138946.db2.gz GDBWWOHSSODBHO-GOSISDBHSA-N 1 0 422.533 2.314 50 0 HEAARO C[C@@H](C(=O)NCC[NH+](C)C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062103 569165995 /nfs/dbraw/zinc/16/59/95/569165995.db2.gz LZWSLBHJLFCMQQ-GFCCVEGCSA-N 1 0 407.989 2.116 50 0 HEAARO CN1C(=O)COc2cc(-c3noc(C(=O)NCCC[NH+]4CCCCCC4)n3)ccc21 ZINC000065137946 569183595 /nfs/dbraw/zinc/18/35/95/569183595.db2.gz XSVHTRJHPDOKCQ-UHFFFAOYSA-N 1 0 413.478 2.088 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)NCc4cccs4)CC3)cn2)CC1 ZINC000065166794 569188786 /nfs/dbraw/zinc/18/87/86/569188786.db2.gz CVMVJXXWGQPNOM-UHFFFAOYSA-N 1 0 414.579 2.213 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(-n3cc(CNC(=O)C4CC4)cn3)cc2)CC1 ZINC000065213165 569197481 /nfs/dbraw/zinc/19/74/81/569197481.db2.gz JOOLKZPNSXPZRH-UHFFFAOYSA-N 1 0 409.534 2.312 50 0 HEAARO O=C(CN1CCN(C(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)CC1)N1CCCC1 ZINC000065239085 569203115 /nfs/dbraw/zinc/20/31/15/569203115.db2.gz ZMXTUYVGVUDSRF-UHFFFAOYSA-N 1 0 416.591 2.387 50 0 HEAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065313990 569223092 /nfs/dbraw/zinc/22/30/92/569223092.db2.gz RTEDZBKHKUZBJL-NRFANRHFSA-N 1 0 423.561 2.062 50 0 HEAARO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O[C@H](C)C(=O)N(C)C ZINC000007127202 569225438 /nfs/dbraw/zinc/22/54/38/569225438.db2.gz WWGXNQPKKUVCPF-BFUOFWGJSA-N 1 0 422.489 2.387 50 0 HEAARO CC(C)[C@H](CNC(=O)COc1ccc(CC(N)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000065583842 569236315 /nfs/dbraw/zinc/23/63/15/569236315.db2.gz MWYUBTOJYMCNGC-QFIPXVFZSA-N 1 0 409.530 2.292 50 0 HEAARO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000170616778 569247596 /nfs/dbraw/zinc/24/75/96/569247596.db2.gz UHSAGZRJQGGJMZ-GBESFXJTSA-N 1 0 401.555 2.231 50 0 HEAARO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)C2=O ZINC000089920192 569268624 /nfs/dbraw/zinc/26/86/24/569268624.db2.gz BUBQRGONOBVTEE-WBYLCXCBSA-N 1 0 404.555 2.066 50 0 HEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000017012583 569271617 /nfs/dbraw/zinc/27/16/17/569271617.db2.gz ARHSSWNAYDAXQR-UHFFFAOYSA-N 1 0 414.941 2.153 50 0 HEAARO Cc1cccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000037467073 569300459 /nfs/dbraw/zinc/30/04/59/569300459.db2.gz ICPYVBXSZXYDCE-HSALFYBXSA-N 1 0 400.567 2.444 50 0 HEAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)c4cccn4C)CC3)C2)CC1 ZINC000581819876 569320933 /nfs/dbraw/zinc/32/09/33/569320933.db2.gz PQTQVVYAEXTNIP-FQEVSTJZSA-N 1 0 402.583 2.453 50 0 HEAARO CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253398139 569365392 /nfs/dbraw/zinc/36/53/92/569365392.db2.gz BYMDQAPSCKZZKI-QFBILLFUSA-N 1 0 418.563 2.394 50 0 biogenic HEAARO COc1ccccc1OC[C@@H](O)CN(Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000238901023 571046573 /nfs/dbraw/zinc/04/65/73/571046573.db2.gz KNFGYYJABSGTQK-PMACEKPBSA-N 1 0 419.543 2.433 50 0 HEAARO CC(C)CN(C(=O)C[NH2+][C@H](C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000039726269 571133987 /nfs/dbraw/zinc/13/39/87/571133987.db2.gz OSOFZWWYBNQPNO-MRXNPFEDSA-N 1 0 415.538 2.115 50 0 HEAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)cn2)CC1 ZINC000040118610 571174799 /nfs/dbraw/zinc/17/47/99/571174799.db2.gz JPYNXVZYBUOJAY-UHFFFAOYSA-N 1 0 414.506 2.179 50 0 HEAARO COc1ccc(OC[C@H](O)CN(Cc2cccc(F)c2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229445 571217995 /nfs/dbraw/zinc/21/79/95/571217995.db2.gz YBIFJVOZFCLFHN-RBUKOAKNSA-N 1 0 423.506 2.263 50 0 HEAARO COCC[NH+]1CCC(CNC(=O)c2cc(-c3cc(OC)ccc3OC)nn2C)CC1 ZINC000077200745 571313163 /nfs/dbraw/zinc/31/31/63/571313163.db2.gz HMJMJPUOPQJJND-UHFFFAOYSA-N 1 0 416.522 2.193 50 0 HEAARO CC[N@H+](CCNC(=O)CN1CCCc2nc(C3CC3)ncc2C1=O)Cc1ccccc1 ZINC000581787585 1078761252 /nfs/dbraw/zinc/76/12/52/1078761252.db2.gz OBKGTMCLBLGHDI-UHFFFAOYSA-N 1 0 421.545 2.381 50 0 HEAARO C[N@@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802827 1078772226 /nfs/dbraw/zinc/77/22/26/1078772226.db2.gz PPAYJYWIJPGKIU-HXUWFJFHSA-N 1 0 408.546 2.494 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(CC3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000581805561 1078781568 /nfs/dbraw/zinc/78/15/68/1078781568.db2.gz KKUPODWVWSNWMC-UHFFFAOYSA-N 1 0 421.607 2.315 50 0 HEAARO CCn1cc(S(=O)(=O)N2CCC[C@H](n3c(C)c[nH+]c3C3CCOCC3)C2)cn1 ZINC000575546471 1076344663 /nfs/dbraw/zinc/34/46/63/1076344663.db2.gz OYLIRSXXGYBOJK-KRWDZBQOSA-N 1 0 407.540 2.328 50 0 HEAARO C[NH+](C)CCCn1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc2c1=O ZINC000012324339 132358717 /nfs/dbraw/zinc/35/87/17/132358717.db2.gz IHDUEZWGKCEBTM-UHFFFAOYSA-N 1 0 410.497 2.209 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc1C ZINC000015671230 132461894 /nfs/dbraw/zinc/46/18/94/132461894.db2.gz MRRHVPOADVZCQK-UHFFFAOYSA-N 1 0 403.552 2.287 50 0 HEAARO COc1ccc(-c2cc3ccc(OCCN4CC[NH+](CCO)CC4)cc3oc2=O)cc1 ZINC000020573671 523121296 /nfs/dbraw/zinc/12/12/96/523121296.db2.gz QCHMPVGLRUVSTF-UHFFFAOYSA-N 1 0 424.497 2.457 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccsc2)CC1 ZINC000022766289 523917953 /nfs/dbraw/zinc/91/79/53/523917953.db2.gz OTJHNJHYJJEXTI-KRWDZBQOSA-N 1 0 408.474 2.070 50 0 HEAARO Cc1cccc(C(=O)N2CCC3(CN(CCN4CC[C@@H]([NH+](C)C)C4)C(=O)O3)CC2)c1 ZINC000072423155 524171214 /nfs/dbraw/zinc/17/12/14/524171214.db2.gz XFRSYIVBDVNQGX-HXUWFJFHSA-N 1 0 414.550 2.058 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355717 526309006 /nfs/dbraw/zinc/30/90/06/526309006.db2.gz ZFHZTCGSEZTYJP-UHFFFAOYSA-N 1 0 402.476 2.340 50 0 HEAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)n1 ZINC000009620882 535521204 /nfs/dbraw/zinc/52/12/04/535521204.db2.gz PKLDAAQSUDBLTF-UHFFFAOYSA-N 1 0 405.524 2.045 50 0 HEAARO COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC000011668101 537069306 /nfs/dbraw/zinc/06/93/06/537069306.db2.gz PNHOSGSMCMTIGZ-HXUWFJFHSA-N 1 0 400.567 2.150 50 0 HEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000004143300 557519554 /nfs/dbraw/zinc/51/95/54/557519554.db2.gz IZVGKCYZCHTGPZ-IBGZPJMESA-N 1 0 412.486 2.215 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1F ZINC000022796329 557823126 /nfs/dbraw/zinc/82/31/26/557823126.db2.gz CCAVINRKRHCHOC-HXUWFJFHSA-N 1 0 416.472 2.317 50 0 HEAARO COc1ccc(COC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1OC ZINC000019720573 558258882 /nfs/dbraw/zinc/25/88/82/558258882.db2.gz CNLLRLCGVLQCBP-NRFANRHFSA-N 1 0 400.519 2.399 50 0 HEAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OCCO)cc3)C[C@@H]2CCO)cc1C ZINC000019839790 558293686 /nfs/dbraw/zinc/29/36/86/558293686.db2.gz QQKUTCVISAMSKU-QFIPXVFZSA-N 1 0 414.546 2.444 50 0 HEAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCC(=O)NC(C)(C)C ZINC000020018533 558320520 /nfs/dbraw/zinc/32/05/20/558320520.db2.gz GMSYDQAGCNXWAR-UHFFFAOYSA-N 1 0 407.555 2.191 50 0 HEAARO O=C(Cc1cccs1)N1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000012198969 558350888 /nfs/dbraw/zinc/35/08/88/558350888.db2.gz FYJFATYSVQQOQS-LJQANCHMSA-N 1 0 419.591 2.289 50 0 HEAARO COCCNc1nc2nonc2nc1NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012207130 558353136 /nfs/dbraw/zinc/35/31/36/558353136.db2.gz RVRNAWGAPYFFKJ-OAHLLOKOSA-N 1 0 401.446 2.459 50 0 HEAARO NC(=O)C1CC[NH+](C[C@H](O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1 ZINC000020721294 558402973 /nfs/dbraw/zinc/40/29/73/558402973.db2.gz JJHZQWHSXGIYKA-SFHVURJKSA-N 1 0 422.481 2.397 50 0 biogenic HEAARO CCCCNC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012430809 558405505 /nfs/dbraw/zinc/40/55/05/558405505.db2.gz YTWOWUAVRBXCBQ-SFHVURJKSA-N 1 0 401.555 2.384 50 0 HEAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012993068 558497270 /nfs/dbraw/zinc/49/72/70/558497270.db2.gz SLGKSDDJNIAHOU-FQEVSTJZSA-N 1 0 410.518 2.235 50 0 HEAARO CC(C)S(=O)(=O)c1ncc(CN2CC[C@@H]([NH+](C)C)C2)n1CCc1ccccc1 ZINC000022913309 558520229 /nfs/dbraw/zinc/52/02/29/558520229.db2.gz VFKAGZOYKYQYEY-LJQANCHMSA-N 1 0 404.580 2.444 50 0 HEAARO Cc1occc1-c1nnc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1N ZINC000023006354 558529999 /nfs/dbraw/zinc/52/99/99/558529999.db2.gz RXGILJIHEQRTKS-INIZCTEOSA-N 1 0 412.519 2.043 50 0 HEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000023243356 558545406 /nfs/dbraw/zinc/54/54/06/558545406.db2.gz VUAJIOPUUCMWDE-UHFFFAOYSA-N 1 0 409.486 2.188 50 0 HEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)C2 ZINC000023354059 558551179 /nfs/dbraw/zinc/55/11/79/558551179.db2.gz NSXFAYOGESTLHA-SFHVURJKSA-N 1 0 417.598 2.087 50 0 HEAARO CC1(C)CC2(CC(C)(C)[NH2+]1)NC(=O)N(CN1CCN(c3ccccc3F)CC1)C2=O ZINC000023408861 558557238 /nfs/dbraw/zinc/55/72/38/558557238.db2.gz JLFDWAOODGZANM-UHFFFAOYSA-N 1 0 417.529 2.136 50 0 HEAARO Cc1ccccc1N1CCN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000023642300 558564475 /nfs/dbraw/zinc/56/44/75/558564475.db2.gz XKXQDTLDFIKXSM-UHFFFAOYSA-N 1 0 414.594 2.268 50 0 HEAARO CN1CC(=O)N(CCCC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1=O ZINC000023731353 558571448 /nfs/dbraw/zinc/57/14/48/558571448.db2.gz KRMWGVGIXDIKAJ-UHFFFAOYSA-N 1 0 408.502 2.158 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551730 558601049 /nfs/dbraw/zinc/60/10/49/558601049.db2.gz MJXCDTOUIOPLSU-MJGOQNOKSA-N 1 0 409.486 2.057 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329115 558638156 /nfs/dbraw/zinc/63/81/56/558638156.db2.gz JNGPFHZANKXHDS-RDJZCZTQSA-N 1 0 415.515 2.291 50 0 HEAARO CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014240366 558643270 /nfs/dbraw/zinc/64/32/70/558643270.db2.gz GNCSSHFMUIZAOP-QFIPXVFZSA-N 1 0 409.534 2.155 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000025816222 558650725 /nfs/dbraw/zinc/65/07/25/558650725.db2.gz HGLAQTAOYCZVRG-KURKYZTESA-N 1 0 421.563 2.449 50 0 HEAARO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c1 ZINC000014732121 558665614 /nfs/dbraw/zinc/66/56/14/558665614.db2.gz XLEAGGYGGKVYMN-FKBYEOEOSA-N 1 0 407.514 2.078 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014742976 558667689 /nfs/dbraw/zinc/66/76/89/558667689.db2.gz NZJBRPKSGLXDGO-SFHVURJKSA-N 1 0 403.523 2.009 50 0 HEAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+]([C@@H]3CCSC3)CC2)C1=O ZINC000014752414 558671043 /nfs/dbraw/zinc/67/10/43/558671043.db2.gz CNQPNPKHSLJACU-GOSISDBHSA-N 1 0 403.548 2.437 50 0 HEAARO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccnc2)C[N@H+](Cc2ccncc2)C1 ZINC000014755065 558671775 /nfs/dbraw/zinc/67/17/75/558671775.db2.gz ITXGFNDHZXDYFU-VQTJNVASSA-N 1 0 420.517 2.076 50 0 HEAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cccc(C)n2)CC3)cc1 ZINC000014882782 558676746 /nfs/dbraw/zinc/67/67/46/558676746.db2.gz FSMVQKHQZWUFAN-UHFFFAOYSA-N 1 0 420.517 2.021 50 0 HEAARO CCc1c(C(=O)NCCn2nc(C)cc2C)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000014964174 558685104 /nfs/dbraw/zinc/68/51/04/558685104.db2.gz BHOJWRJUWPYLIM-IBGZPJMESA-N 1 0 413.566 2.447 50 0 HEAARO CCc1c(C(=O)NCCn2nc(C)cc2C)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000014964170 558685149 /nfs/dbraw/zinc/68/51/49/558685149.db2.gz BHOJWRJUWPYLIM-LJQANCHMSA-N 1 0 413.566 2.447 50 0 HEAARO COc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2=O)cc1 ZINC000028435164 558701161 /nfs/dbraw/zinc/70/11/61/558701161.db2.gz ZVIZUTSCSUQABL-QGZVFWFLSA-N 1 0 408.502 2.439 50 0 HEAARO COc1ccc2c(c1)C[C@@H](C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000022938005 558728222 /nfs/dbraw/zinc/72/82/22/558728222.db2.gz OBLFXDPEFQREJV-OAQYLSRUSA-N 1 0 409.530 2.180 50 0 HEAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022104 558767976 /nfs/dbraw/zinc/76/79/76/558767976.db2.gz DGFGEQTWBFZXIJ-AZXNSQLWSA-N 1 0 421.472 2.445 50 0 HEAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022253 558768188 /nfs/dbraw/zinc/76/81/88/558768188.db2.gz KZZWSFLSIRDUQY-YYQBIWNASA-N 1 0 405.495 2.098 50 0 HEAARO O=C(c1ccc(F)cc1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000034912221 558787530 /nfs/dbraw/zinc/78/75/30/558787530.db2.gz RQQKJXQRSYKGON-UHFFFAOYSA-N 1 0 403.498 2.001 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)NCC[NH+]1CCCCCC1 ZINC000032987680 558807529 /nfs/dbraw/zinc/80/75/29/558807529.db2.gz SSLDYANPSRMPHU-UHFFFAOYSA-N 1 0 417.535 2.299 50 0 HEAARO O=S(=O)(c1cccc2nonc21)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017082515 558814524 /nfs/dbraw/zinc/81/45/24/558814524.db2.gz PIIAHGBRJHIZFB-UHFFFAOYSA-N 1 0 402.520 2.498 50 0 HEAARO Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCC[NH+]3CCCC3)c2=O)cc1 ZINC000097938431 558825020 /nfs/dbraw/zinc/82/50/20/558825020.db2.gz SGRMOJWJMZNMPU-UHFFFAOYSA-N 1 0 411.506 2.321 50 0 HEAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033351 558857541 /nfs/dbraw/zinc/85/75/41/558857541.db2.gz ORUJHFZRTLZSQE-UHFFFAOYSA-N 1 0 416.547 2.216 50 0 HEAARO CC(C)n1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071681872 558906622 /nfs/dbraw/zinc/90/66/22/558906622.db2.gz PEFXHUUNFKXWIP-SFHVURJKSA-N 1 0 401.555 2.403 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCC[N@H+](C)CCc3ccccc3)C(=O)CC2)cc1 ZINC000004712547 558917722 /nfs/dbraw/zinc/91/77/22/558917722.db2.gz DXSLNIQZLAORLD-UHFFFAOYSA-N 1 0 422.529 2.312 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000033254565 558918391 /nfs/dbraw/zinc/91/83/91/558918391.db2.gz FRSQIQOTCJWNBO-UHFFFAOYSA-N 1 0 407.580 2.388 50 0 HEAARO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000060061266 558940777 /nfs/dbraw/zinc/94/07/77/558940777.db2.gz JKVZUNURVFLIHJ-GOSISDBHSA-N 1 0 405.564 2.147 50 0 HEAARO C[NH+]1CCC(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000065362816 558973666 /nfs/dbraw/zinc/97/36/66/558973666.db2.gz COASCJILLDMIGT-UHFFFAOYSA-N 1 0 401.532 2.477 50 0 HEAARO CCc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000065365770 558976648 /nfs/dbraw/zinc/97/66/48/558976648.db2.gz XWOBLLKPTYUBSS-UHFFFAOYSA-N 1 0 415.563 2.459 50 0 HEAARO Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)[nH+]1 ZINC000072441664 558981767 /nfs/dbraw/zinc/98/17/67/558981767.db2.gz CXDOQSVCICGXHF-UHFFFAOYSA-N 1 0 411.478 2.444 50 0 HEAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH+]1CCC(C(N)=O)CC1 ZINC000067773093 558992641 /nfs/dbraw/zinc/99/26/41/558992641.db2.gz ZQVCPDHUAZTYKX-UHFFFAOYSA-N 1 0 405.502 2.304 50 0 HEAARO COc1ccc(CN2CC[N@@H+](C3CCN(C(C)=O)CC3)C[C@@H]2CCO)c(C)c1C ZINC000077405951 559003857 /nfs/dbraw/zinc/00/38/57/559003857.db2.gz DDPOOZBABWBROU-QFIPXVFZSA-N 1 0 403.567 2.192 50 0 HEAARO O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127432 559015848 /nfs/dbraw/zinc/01/58/48/559015848.db2.gz WBWMVSXRWLOAQW-UHFFFAOYSA-N 1 0 409.486 2.060 50 0 HEAARO Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)[nH]n1 ZINC000082091475 559036945 /nfs/dbraw/zinc/03/69/45/559036945.db2.gz VJABFFZSYNCYPD-HXUWFJFHSA-N 1 0 410.566 2.448 50 0 HEAARO Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)[nH]n1 ZINC000082091478 559037045 /nfs/dbraw/zinc/03/70/45/559037045.db2.gz VJABFFZSYNCYPD-FQEVSTJZSA-N 1 0 410.566 2.448 50 0 HEAARO Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)[nH]n1 ZINC000082091871 559037062 /nfs/dbraw/zinc/03/70/62/559037062.db2.gz GFZVEZMDAWLZMN-FQEVSTJZSA-N 1 0 410.566 2.448 50 0 HEAARO CC1(C)CN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CCO1 ZINC000082121960 559039753 /nfs/dbraw/zinc/03/97/53/559039753.db2.gz JWFSIDUJSBITGU-FQEVSTJZSA-N 1 0 400.567 2.395 50 0 HEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)CCN2CCCCCC2=O)CC1 ZINC000095383881 559080688 /nfs/dbraw/zinc/08/06/88/559080688.db2.gz XKNHQLOXNOMNCZ-UHFFFAOYSA-N 1 0 403.571 2.334 50 0 HEAARO O=C([O-])CC[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095390337 559080865 /nfs/dbraw/zinc/08/08/65/559080865.db2.gz KTANOHBPMPHGPS-UXHICEINSA-N 1 0 402.539 2.069 50 0 HEAARO COc1cc(C(=O)N[C@@H]2CCNC2=O)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095503035 559082550 /nfs/dbraw/zinc/08/25/50/559082550.db2.gz OMPZSLRFYGVYMU-GOSISDBHSA-N 1 0 401.507 2.099 50 0 HEAARO COCC[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc3nccn3c2)CC1 ZINC000096137449 559095561 /nfs/dbraw/zinc/09/55/61/559095561.db2.gz HIFCJNUVPWHQAT-FQEVSTJZSA-N 1 0 400.523 2.314 50 0 HEAARO C[NH+](C)CCNC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)on1 ZINC000096210193 559101364 /nfs/dbraw/zinc/10/13/64/559101364.db2.gz WPWJHCUUAWTNTN-GOSISDBHSA-N 1 0 414.506 2.031 50 0 HEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000100129429 559130195 /nfs/dbraw/zinc/13/01/95/559130195.db2.gz CWRGXIWWEOXZIV-KRWDZBQOSA-N 1 0 401.850 2.000 50 0 HEAARO COc1ccc(-c2cnc3ncnn3c2N2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000023331648 559170387 /nfs/dbraw/zinc/17/03/87/559170387.db2.gz CQYYLXWVTSGERP-SFHVURJKSA-N 1 0 421.549 2.264 50 0 HEAARO Cn1c2ccccc2c2cnn(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c(=O)c21 ZINC000004914977 559203356 /nfs/dbraw/zinc/20/33/56/559203356.db2.gz UQFAZCMZXCMICT-UHFFFAOYSA-N 1 0 407.518 2.365 50 0 HEAARO CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N(C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000005086948 559243034 /nfs/dbraw/zinc/24/30/34/559243034.db2.gz GTYGKYOJKANPBZ-UHFFFAOYSA-N 1 0 412.534 2.245 50 0 HEAARO Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000100623062 559244782 /nfs/dbraw/zinc/24/47/82/559244782.db2.gz HPRATALXPOQHFE-UHFFFAOYSA-N 1 0 416.547 2.140 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000409413325 559250528 /nfs/dbraw/zinc/25/05/28/559250528.db2.gz HQCGVZQZOTWCIT-PWRODBHTSA-N 1 0 415.582 2.433 50 0 HEAARO CCc1nn(CC(=O)NCCC[N@H+](C)Cc2ccccc2)c(=O)c2cc3occc3n21 ZINC000005149430 559253268 /nfs/dbraw/zinc/25/32/68/559253268.db2.gz RJPUJMZULRIHJK-UHFFFAOYSA-N 1 0 421.501 2.443 50 0 HEAARO CCc1nn(CC(=O)N2CCC([NH+]3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000005149326 559253275 /nfs/dbraw/zinc/25/32/75/559253275.db2.gz BOAQNELWYVAEJJ-UHFFFAOYSA-N 1 0 411.506 2.282 50 0 HEAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3cc(C)on3)nc1=O)CCC2 ZINC000005254235 560551945 /nfs/dbraw/zinc/55/19/45/560551945.db2.gz CPRMZIYFFDXDCU-UHFFFAOYSA-N 1 0 405.524 2.101 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652723 560779441 /nfs/dbraw/zinc/77/94/41/560779441.db2.gz WSHZHCSWFTULAL-NSKBAKJYSA-N 1 0 418.586 2.219 50 0 HEAARO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000097938339 560849944 /nfs/dbraw/zinc/84/99/44/560849944.db2.gz YGYGVJCIUNFJQD-QGZVFWFLSA-N 1 0 410.518 2.400 50 0 HEAARO COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCN(C)CC2)cc1OC ZINC000019782187 560875660 /nfs/dbraw/zinc/87/56/60/560875660.db2.gz VASNZEIZNABVOH-CYVLTUHYSA-N 1 0 409.486 2.249 50 0 HEAARO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000106169420 560884960 /nfs/dbraw/zinc/88/49/60/560884960.db2.gz XCVJZHWMPQMWIY-MJGOQNOKSA-N 1 0 416.566 2.273 50 0 HEAARO CS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000107064367 560895185 /nfs/dbraw/zinc/89/51/85/560895185.db2.gz ANJNLPORIAPWFC-SJLPKXTDSA-N 1 0 414.593 2.302 50 0 HEAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000048263729 568433825 /nfs/dbraw/zinc/43/38/25/568433825.db2.gz AXQSCQPXECAXDX-RDGPPVDQSA-N 1 0 419.566 2.455 50 0 HEAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccccc1O2 ZINC000048302778 568437830 /nfs/dbraw/zinc/43/78/30/568437830.db2.gz RIIFGWALZMXAOB-SFHVURJKSA-N 1 0 404.474 2.380 50 0 HEAARO C[C@H]([NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000222203081 568514450 /nfs/dbraw/zinc/51/44/50/568514450.db2.gz KDBVQFDJKIQBCS-ZGXWSNOMSA-N 1 0 411.587 2.491 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284062 568597015 /nfs/dbraw/zinc/59/70/15/568597015.db2.gz RLQHEAKHHIFDLV-JXFKEZNVSA-N 1 0 400.523 2.274 50 0 HEAARO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2sccc2Br)CC1 ZINC000095433020 568609467 /nfs/dbraw/zinc/60/94/67/568609467.db2.gz XSDYVZGFCWOPIF-LLVKDONJSA-N 1 0 411.387 2.224 50 0 HEAARO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095458545 568618993 /nfs/dbraw/zinc/61/89/93/568618993.db2.gz CHKIMDLPCIVZOQ-AWEZNQCLSA-N 1 0 417.333 2.446 50 0 HEAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C(=O)NCC[NH+](C)C ZINC000095461362 568620702 /nfs/dbraw/zinc/62/07/02/568620702.db2.gz SNLCBIXXPBVJCV-UHFFFAOYSA-N 1 0 407.467 2.347 50 0 HEAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000095481023 568633734 /nfs/dbraw/zinc/63/37/34/568633734.db2.gz NEOVVIVDFOKJHO-HRAATJIYSA-N 1 0 418.925 2.270 50 0 HEAARO CCc1n[nH]c(=O)c(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1CC ZINC000225444161 568638497 /nfs/dbraw/zinc/63/84/97/568638497.db2.gz KYZWBBFXGSLUSF-MRXNPFEDSA-N 1 0 400.548 2.242 50 0 HEAARO O=S(=O)(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000095972953 568671728 /nfs/dbraw/zinc/67/17/28/568671728.db2.gz XCXUIZRCIGPAOO-CVEARBPZSA-N 1 0 403.342 2.105 50 0 HEAARO O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096232809 568708403 /nfs/dbraw/zinc/70/84/03/568708403.db2.gz OPJCKHVDTAHVAZ-NRFANRHFSA-N 1 0 420.513 2.278 50 0 HEAARO O=C(c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000021527759 568709690 /nfs/dbraw/zinc/70/96/90/568709690.db2.gz XIGVJGZGISPLBK-UHFFFAOYSA-N 1 0 408.568 2.280 50 0 HEAARO Cc1ccn(C[C@](C)(O)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(=O)c1 ZINC000242346909 568732768 /nfs/dbraw/zinc/73/27/68/568732768.db2.gz ZKCCWABJCXBWJX-QFIPXVFZSA-N 1 0 415.559 2.404 50 0 HEAARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 ZINC000021698476 568741195 /nfs/dbraw/zinc/74/11/95/568741195.db2.gz JMSJHSANRJGGPQ-FQEVSTJZSA-N 1 0 422.485 2.323 50 0 HEAARO C[N@H+](CCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)C1CCCCC1 ZINC000021927302 568761148 /nfs/dbraw/zinc/76/11/48/568761148.db2.gz YOABOXPLJFYTDI-INIZCTEOSA-N 1 0 420.583 2.014 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCCN32)CC1 ZINC000021938351 568762911 /nfs/dbraw/zinc/76/29/11/568762911.db2.gz QLYAJQMIIBACEA-OAQYLSRUSA-N 1 0 413.566 2.145 50 0 HEAARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579208 568770422 /nfs/dbraw/zinc/77/04/22/568770422.db2.gz LMEZNFNMHCDXQG-QFIPXVFZSA-N 1 0 424.545 2.301 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CC[NH+](C)CC2)cc1 ZINC000022582723 568770629 /nfs/dbraw/zinc/77/06/29/568770629.db2.gz BMGPCODSKBJDDQ-FQEVSTJZSA-N 1 0 416.472 2.317 50 0 HEAARO Cc1ccc(N2CC[NH+](CCCNC(=O)c3nc(-c4cncnc4)no3)CC2)c(C)c1 ZINC000029043098 568815590 /nfs/dbraw/zinc/81/55/90/568815590.db2.gz VRKUEEDEORVPLW-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO COC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731171 568859123 /nfs/dbraw/zinc/85/91/23/568859123.db2.gz SYUGNINXMYINRI-IBGZPJMESA-N 1 0 403.479 2.407 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057851659 568863444 /nfs/dbraw/zinc/86/34/44/568863444.db2.gz KLJWWEXWEOCRNI-KRWDZBQOSA-N 1 0 417.531 2.305 50 0 HEAARO Cc1cnn(C)c1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299761856 568873283 /nfs/dbraw/zinc/87/32/83/568873283.db2.gz AXQGOESHEZJZAK-FQEVSTJZSA-N 1 0 416.497 2.138 50 0 HEAARO O=C1CO[C@H](CNc2ncnc3sccc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299761877 568873397 /nfs/dbraw/zinc/87/33/97/568873397.db2.gz YTQIWFGYDXLSNV-QGZVFWFLSA-N 1 0 415.563 2.453 50 0 HEAARO CCc1cnc(C)nc1NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299764365 568873504 /nfs/dbraw/zinc/87/35/04/568873504.db2.gz UWSPHGBTFPMXRJ-HXUWFJFHSA-N 1 0 401.555 2.109 50 0 HEAARO CCc1cc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc(C)n1 ZINC000299782038 568875096 /nfs/dbraw/zinc/87/50/96/568875096.db2.gz XANGGHDIFNJPIG-HXUWFJFHSA-N 1 0 401.555 2.109 50 0 HEAARO COc1ccccc1COC[C@H](O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000058010146 568875391 /nfs/dbraw/zinc/87/53/91/568875391.db2.gz MSXKKNTULQHTCF-OAQYLSRUSA-N 1 0 410.518 2.038 50 0 HEAARO Cc1nccn1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795372 568876176 /nfs/dbraw/zinc/87/61/76/568876176.db2.gz LHTSYFIRSAQOLF-NRFANRHFSA-N 1 0 416.497 2.101 50 0 HEAARO Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)s1 ZINC000299803046 568876794 /nfs/dbraw/zinc/87/67/94/568876794.db2.gz VIGGKHVAXVGMKZ-SFHVURJKSA-N 1 0 405.564 2.136 50 0 HEAARO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000263585642 568878702 /nfs/dbraw/zinc/87/87/02/568878702.db2.gz KYJQSBPGHQUQST-DLBZAZTESA-N 1 0 402.498 2.334 50 0 biogenic HEAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)cc(S(N)(=O)=O)c1C ZINC000670440191 568892075 /nfs/dbraw/zinc/89/20/75/568892075.db2.gz YEXILRSBIPSPPQ-INIZCTEOSA-N 1 0 407.561 2.407 50 0 HEAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000058154693 568893195 /nfs/dbraw/zinc/89/31/95/568893195.db2.gz XMLBTNKWSIZBDL-UHFFFAOYSA-N 1 0 411.593 2.154 50 0 HEAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(-n2cccn2)cc1 ZINC000670440572 568893756 /nfs/dbraw/zinc/89/37/56/568893756.db2.gz UWTUEMJWYQAJFU-KOXWRSSLSA-N 1 0 413.525 2.170 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000003957702 568930237 /nfs/dbraw/zinc/93/02/37/568930237.db2.gz NOQNIIWJSWBYIG-UHFFFAOYSA-N 1 0 408.502 2.004 50 0 HEAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004111065 568944147 /nfs/dbraw/zinc/94/41/47/568944147.db2.gz OAPPNHMWUVMCKE-OAQYLSRUSA-N 1 0 421.607 2.119 50 0 HEAARO CNS(=O)(=O)c1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1Cl ZINC000012772042 568952252 /nfs/dbraw/zinc/95/22/52/568952252.db2.gz URXXOOMUECZFLP-INIZCTEOSA-N 1 0 413.902 2.420 50 0 HEAARO CC[NH+](CC)CCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272349 568957368 /nfs/dbraw/zinc/95/73/68/568957368.db2.gz GNMSXHQUIWFCJC-UHFFFAOYSA-N 1 0 412.534 2.295 50 0 HEAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000015727718 568978745 /nfs/dbraw/zinc/97/87/45/568978745.db2.gz PVWKRWPQTSQHDG-UHFFFAOYSA-N 1 0 413.522 2.458 50 0 HEAARO COc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1S(=O)(=O)NC1CCCC1 ZINC000008274979 568986784 /nfs/dbraw/zinc/98/67/84/568986784.db2.gz ZWHDFQZUCOMIDI-UHFFFAOYSA-N 1 0 409.552 2.132 50 0 HEAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000015773286 568998819 /nfs/dbraw/zinc/99/88/19/568998819.db2.gz VGVZYYSLGZSLOD-HSZRJFAPSA-N 1 0 412.578 2.421 50 0 HEAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015773276 568998858 /nfs/dbraw/zinc/99/88/58/568998858.db2.gz BXBBZVUFEVNYGJ-QHCPKHFHSA-N 1 0 424.520 2.432 50 0 HEAARO CCC[NH+]1CCN(c2ncc3c(n2)CCN(Cc2ccc4c(c2)OCCO4)C3)CC1 ZINC000015779595 569002046 /nfs/dbraw/zinc/00/20/46/569002046.db2.gz RCXSEENNMOHKLQ-UHFFFAOYSA-N 1 0 409.534 2.338 50 0 HEAARO COc1ccc(OC)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000104292841 569008207 /nfs/dbraw/zinc/00/82/07/569008207.db2.gz JAWCTOPJTAVLMX-OAQYLSRUSA-N 1 0 405.583 2.445 50 0 HEAARO c1[nH]c2ccccc2c1CC[NH2+]C1(c2nnnn2CCCN2CCOCC2)CCCC1 ZINC000575443682 569028529 /nfs/dbraw/zinc/02/85/29/569028529.db2.gz HTONCKJYFFPGGK-UHFFFAOYSA-N 1 0 423.565 2.478 50 0 HEAARO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1 ZINC000035416844 569036050 /nfs/dbraw/zinc/03/60/50/569036050.db2.gz TZBIPKGCMFODRD-UHFFFAOYSA-N 1 0 403.504 2.274 50 0 HEAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064334010 569053735 /nfs/dbraw/zinc/05/37/35/569053735.db2.gz DIMZZKBXXKBDTL-ZWKOTPCHSA-N 1 0 407.518 2.411 50 0 HEAARO CC[NH+]1CCN(CCN2CC3(CCN(C(=O)[C@H]4CC[C@H](C)CC4)CC3)OC2=O)CC1 ZINC000244795517 569055173 /nfs/dbraw/zinc/05/51/73/569055173.db2.gz RHUOVSYWTKJERS-MXVIHJGJSA-N 1 0 420.598 2.264 50 0 HEAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000089512568 569062156 /nfs/dbraw/zinc/06/21/56/569062156.db2.gz SHMHSAIGIFTFGN-PMACEKPBSA-N 1 0 404.580 2.122 50 0 HEAARO C[C@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000006571973 569066654 /nfs/dbraw/zinc/06/66/54/569066654.db2.gz AKEUOHZYTLAVGQ-QGZVFWFLSA-N 1 0 422.533 2.170 50 0 HEAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](Cc4nc(C)no4)C3)C2=O)c1OC ZINC000426578876 569073455 /nfs/dbraw/zinc/07/34/55/569073455.db2.gz VCVXENOIFYBXTO-OAQYLSRUSA-N 1 0 400.479 2.410 50 0 HEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3nn4cc(C)cnc4c3Cl)cc2C1 ZINC000426599483 569073587 /nfs/dbraw/zinc/07/35/87/569073587.db2.gz DMQWXKLBKLJEPZ-UHFFFAOYSA-N 1 0 401.902 2.433 50 0 HEAARO COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCC[NH+](C)C)no2)cc1 ZINC000035989282 569074389 /nfs/dbraw/zinc/07/43/89/569074389.db2.gz NJDSPTCQJJUUKU-GOSISDBHSA-N 1 0 400.479 2.023 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000035991707 569074746 /nfs/dbraw/zinc/07/47/46/569074746.db2.gz NXMMANLMSABBPR-FQEVSTJZSA-N 1 0 400.523 2.064 50 0 HEAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COCc2ccccc2)cc1 ZINC000036102041 569091776 /nfs/dbraw/zinc/09/17/76/569091776.db2.gz JGMAKHVIRNMLNU-QHCPKHFHSA-N 1 0 414.546 2.407 50 0 HEAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3C)CC2)cc(C)[nH+]1 ZINC000064800705 569097421 /nfs/dbraw/zinc/09/74/21/569097421.db2.gz KFGSWOZYNLAODL-UHFFFAOYSA-N 1 0 419.551 2.353 50 0 HEAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)CC[C@H](C)C3 ZINC000006764633 569114346 /nfs/dbraw/zinc/11/43/46/569114346.db2.gz JPPQYLLUOJLTJJ-AWEZNQCLSA-N 1 0 419.547 2.008 50 0 HEAARO CCC[NH+]1CCN(C(=O)[C@H](C)n2nc(C)c3nn(-c4ccccc4)c(C)c3c2=O)CC1 ZINC000064971205 569138894 /nfs/dbraw/zinc/13/88/94/569138894.db2.gz GDBWWOHSSODBHO-SFHVURJKSA-N 1 0 422.533 2.314 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839875 569151156 /nfs/dbraw/zinc/15/11/56/569151156.db2.gz LMHVELFNZZDADC-HNNXBMFYSA-N 1 0 416.547 2.369 50 0 HEAARO C[NH+](C)[C@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369835 569153761 /nfs/dbraw/zinc/15/37/61/569153761.db2.gz QHZKNAZWHFFRKC-RDGATRHJSA-N 1 0 412.493 2.354 50 0 HEAARO Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NCC[NH+]=C2NC1CCCCC1 ZINC000065074739 569169158 /nfs/dbraw/zinc/16/91/58/569169158.db2.gz MEMZWJCTCOVBNL-UHFFFAOYSA-N 1 0 404.580 2.442 50 0 biogenic HEAARO Cc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@@H+](C)CC3)c2=O)cc1 ZINC000065212268 569197366 /nfs/dbraw/zinc/19/73/66/569197366.db2.gz UBKQNKZZVULTGE-UHFFFAOYSA-N 1 0 411.506 2.273 50 0 HEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCCC[NH+]1CCCCC1)nc2N1CCOCC1 ZINC000065232057 569201304 /nfs/dbraw/zinc/20/13/04/569201304.db2.gz VBLDPIXQAHZKIU-UHFFFAOYSA-N 1 0 412.538 2.084 50 0 HEAARO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000065475254 569231410 /nfs/dbraw/zinc/23/14/10/569231410.db2.gz KNNBOSIAGUCNBE-HUUCEWRRSA-N 1 0 406.324 2.499 50 0 HEAARO O=C(CCn1cc(Br)ccc1=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000065548333 569234833 /nfs/dbraw/zinc/23/48/33/569234833.db2.gz SKZUWKSCFWXAEJ-UHFFFAOYSA-N 1 0 404.308 2.175 50 0 HEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3ccc(N4CCCC4=O)cc3)cn2)CC1 ZINC000065612102 569238495 /nfs/dbraw/zinc/23/84/95/569238495.db2.gz BZLHGPSMCJPJKA-UHFFFAOYSA-N 1 0 421.545 2.209 50 0 HEAARO CC(C)CC(=O)N1CCC(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000170597298 569242063 /nfs/dbraw/zinc/24/20/63/569242063.db2.gz WNSHBXDDZUHJMO-UHFFFAOYSA-N 1 0 415.534 2.458 50 0 HEAARO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCCCC1 ZINC000014705226 569269527 /nfs/dbraw/zinc/26/95/27/569269527.db2.gz MYVMRCLNOXDCOX-UHFFFAOYSA-N 1 0 411.543 2.313 50 0 HEAARO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452568 569286500 /nfs/dbraw/zinc/28/65/00/569286500.db2.gz PKKLOVRVTFARJH-KSSFIOAISA-N 1 0 407.561 2.280 50 0 HEAARO CS[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@H]1[NH+]1CCCC1 ZINC000252486462 569289271 /nfs/dbraw/zinc/28/92/71/569289271.db2.gz KJBAEFFVLSRNCH-MKSNKDDYSA-N 1 0 400.610 2.223 50 0 HEAARO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000252550793 569294195 /nfs/dbraw/zinc/29/41/95/569294195.db2.gz SXUHDMPPIKFTCN-IRXDYDNUSA-N 1 0 423.355 2.381 50 0 HEAARO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252570584 569294329 /nfs/dbraw/zinc/29/43/29/569294329.db2.gz WVJJWTZEDHNRFR-NJAFHUGGSA-N 1 0 402.495 2.065 50 0 HEAARO CC(=O)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1 ZINC000581819802 569320783 /nfs/dbraw/zinc/32/07/83/569320783.db2.gz LYKGXEMVTFAPQO-NRFANRHFSA-N 1 0 417.525 2.073 50 0 HEAARO C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1=O ZINC000079190894 569429329 /nfs/dbraw/zinc/42/93/29/569429329.db2.gz WDAYFDBHKRSCJO-MFSJNOQSSA-N 1 0 411.546 2.474 50 0 biogenic HEAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 ZINC000040121464 571177478 /nfs/dbraw/zinc/17/74/78/571177478.db2.gz YSAVBHMETHACGU-IBGZPJMESA-N 1 0 400.910 2.497 50 0 HEAARO C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996523 571208843 /nfs/dbraw/zinc/20/88/43/571208843.db2.gz TTYCRIHEOOCSKV-INIZCTEOSA-N 1 0 417.513 2.345 50 0 HEAARO Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)N[C@H]4CCCCNC4=O)C3)no2)cc1 ZINC000245238090 571219648 /nfs/dbraw/zinc/21/96/48/571219648.db2.gz QUGIGWWTDAMBGO-ROUUACIJSA-N 1 0 411.506 2.042 50 0 HEAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(NS(C)(=O)=O)CC3)cc2)cc1 ZINC000010043218 571294400 /nfs/dbraw/zinc/29/44/00/571294400.db2.gz DMTCBMRGPSFHQL-UHFFFAOYSA-N 1 0 417.531 2.461 50 0 HEAARO O=C(c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000071846709 571303354 /nfs/dbraw/zinc/30/33/54/571303354.db2.gz XBLPUSUROCLXKD-UHFFFAOYSA-N 1 0 411.955 2.435 50 0 HEAARO C[N@@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581803149 1078779890 /nfs/dbraw/zinc/77/98/90/1078779890.db2.gz UCPSYGWOVZGGFR-NRFANRHFSA-N 1 0 422.529 2.020 50 0 HEAARO Cc1cnc(C(=O)N2CCC([N@@H+]3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803551 1078779986 /nfs/dbraw/zinc/77/99/86/1078779986.db2.gz XNSIPUJHRLGRJQ-HXUWFJFHSA-N 1 0 400.523 2.050 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)CN2C(=O)C3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581803873 1078780124 /nfs/dbraw/zinc/78/01/24/1078780124.db2.gz ZIYIZSQCTDEJHA-QFIPXVFZSA-N 1 0 412.578 2.274 50 0 HEAARO Cn1cnc(S(=O)(=O)N2CCC([N@@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)c1 ZINC000575317158 1076231569 /nfs/dbraw/zinc/23/15/69/1076231569.db2.gz CRLHGRHMVCNFTE-LJQANCHMSA-N 1 0 422.595 2.387 50 0 HEAARO c1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(N2CC[NH2+]CC2)n1 ZINC000000794167 132232649 /nfs/dbraw/zinc/23/26/49/132232649.db2.gz GFJKDAQLFVOZBV-UHFFFAOYSA-N 1 0 410.547 2.365 50 0 HEAARO O=C(CN1C(=O)COc2ccccc21)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002953702 132260345 /nfs/dbraw/zinc/26/03/45/132260345.db2.gz QUVQUSRTFAGOKG-UHFFFAOYSA-N 1 0 407.514 2.483 50 0 HEAARO O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698044 132350154 /nfs/dbraw/zinc/35/01/54/132350154.db2.gz YYNNNSFHMWJBMV-UHFFFAOYSA-N 1 0 410.503 2.267 50 0 HEAARO CCC[NH+]1CCN(C(=O)CCn2cnc3onc(-c4ccc(F)cc4)c3c2=O)CC1 ZINC000020574631 519856040 /nfs/dbraw/zinc/85/60/40/519856040.db2.gz YSFTYPRQZJHCEM-UHFFFAOYSA-N 1 0 413.453 2.135 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766160 523916113 /nfs/dbraw/zinc/91/61/13/523916113.db2.gz ARGCNPZIXLTORD-SFHVURJKSA-N 1 0 420.966 2.123 50 0 HEAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000032900878 524180088 /nfs/dbraw/zinc/18/00/88/524180088.db2.gz MZBLFNSXCFMKFC-FQEVSTJZSA-N 1 0 418.559 2.486 50 0 HEAARO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2)C[C@H](C)O1 ZINC000032830659 524994724 /nfs/dbraw/zinc/99/47/24/524994724.db2.gz RVNYSBFMEVJLKN-GASCZTMLSA-N 1 0 412.515 2.295 50 0 HEAARO Cc1oc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000042381398 526761509 /nfs/dbraw/zinc/76/15/09/526761509.db2.gz JNKJSDFJZZPIBL-SFHVURJKSA-N 1 0 417.531 2.377 50 0 HEAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677082 557364144 /nfs/dbraw/zinc/36/41/44/557364144.db2.gz QHLCSWHAUUJEIQ-IBGZPJMESA-N 1 0 400.523 2.273 50 0 HEAARO CCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000022698406 557794222 /nfs/dbraw/zinc/79/42/22/557794222.db2.gz IFOFVTOKUBZZLD-UHFFFAOYSA-N 1 0 415.563 2.459 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cccc(F)c2)c2ccc(F)cc2)CC1 ZINC000022778671 557821390 /nfs/dbraw/zinc/82/13/90/557821390.db2.gz FILWTMCVDFKCQF-LJQANCHMSA-N 1 0 402.445 2.008 50 0 HEAARO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796343 557823385 /nfs/dbraw/zinc/82/33/85/557823385.db2.gz BNEOOSRZZIGVNL-OAQYLSRUSA-N 1 0 412.509 2.432 50 0 HEAARO O=C(NCCc1nc2cc(Cl)ccc2[nH]1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011664397 558267927 /nfs/dbraw/zinc/26/79/27/558267927.db2.gz SVURTTFGEHBPFZ-UHFFFAOYSA-N 1 0 401.902 2.266 50 0 HEAARO COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011753937 558272887 /nfs/dbraw/zinc/27/28/87/558272887.db2.gz ZZNTUOOQRLEJED-HXUWFJFHSA-N 1 0 400.523 2.343 50 0 HEAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000011786388 558276116 /nfs/dbraw/zinc/27/61/16/558276116.db2.gz JQEFRKPKLFVHSH-MRXNPFEDSA-N 1 0 408.506 2.098 50 0 HEAARO COc1ccc(/C=C/C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000011911271 558296932 /nfs/dbraw/zinc/29/69/32/558296932.db2.gz VWSPOVXHVPTQEP-SNAWJCMRSA-N 1 0 418.501 2.183 50 0 HEAARO CC(C)C[C@H]([NH2+][C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1)C(N)=O ZINC000011965236 558304066 /nfs/dbraw/zinc/30/40/66/558304066.db2.gz FPPVYHYWMMLBQW-ZBFHGGJFSA-N 1 0 409.914 2.439 50 0 HEAARO COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000019973628 558316471 /nfs/dbraw/zinc/31/64/71/558316471.db2.gz PUPJUOFXSFHWKW-NRFANRHFSA-N 1 0 409.530 2.288 50 0 HEAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cccc(F)c2)CC3)cc1 ZINC000012191733 558347880 /nfs/dbraw/zinc/34/78/80/558347880.db2.gz CVKKKVZVQYJWCO-UHFFFAOYSA-N 1 0 423.492 2.457 50 0 HEAARO Cc1c(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455139 558368946 /nfs/dbraw/zinc/36/89/46/558368946.db2.gz UWPUJFQOVWLCIS-NRFANRHFSA-N 1 0 411.550 2.239 50 0 HEAARO Cc1nonc1OCC[NH2+]Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccn21 ZINC000012316425 558379633 /nfs/dbraw/zinc/37/96/33/558379633.db2.gz UKJSRHGDBLYPEX-UHFFFAOYSA-N 1 0 420.473 2.467 50 0 HEAARO CN(C)c1ncc(C[NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)s1 ZINC000020515271 558382594 /nfs/dbraw/zinc/38/25/94/558382594.db2.gz ZZBHARXOLYQJCQ-AWEZNQCLSA-N 1 0 404.540 2.218 50 0 HEAARO CC(C)[C@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000020517992 558383136 /nfs/dbraw/zinc/38/31/36/558383136.db2.gz BBJAVEZXMFGKFY-PABYOWBDSA-N 1 0 407.445 2.402 50 0 HEAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)C2=NN(C)C(=O)CC2)CC1 ZINC000012468640 558421238 /nfs/dbraw/zinc/42/12/38/558421238.db2.gz NFIBVFRDXXVBBT-UHFFFAOYSA-N 1 0 400.523 2.016 50 0 HEAARO COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CCN(C(=O)C=C(C)C)CC1 ZINC000020996197 558426826 /nfs/dbraw/zinc/42/68/26/558426826.db2.gz NLGKTYHJMXKLPU-UHFFFAOYSA-N 1 0 403.523 2.323 50 0 HEAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1OC ZINC000012712853 558453543 /nfs/dbraw/zinc/45/35/43/558453543.db2.gz MTRPSJMEARQLCZ-HSZRJFAPSA-N 1 0 415.534 2.141 50 0 HEAARO COCCn1nc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1=O ZINC000022619476 558503026 /nfs/dbraw/zinc/50/30/26/558503026.db2.gz DZCMMHBAAXAGMV-SFHVURJKSA-N 1 0 404.898 2.110 50 0 HEAARO O=C(CN1CCN(Cc2ccsc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022799325 558512552 /nfs/dbraw/zinc/51/25/52/558512552.db2.gz MZDHDQAGNSOUKC-UHFFFAOYSA-N 1 0 420.623 2.017 50 0 HEAARO Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023134037 558537342 /nfs/dbraw/zinc/53/73/42/558537342.db2.gz RHZBJFREYWQCBQ-UHFFFAOYSA-N 1 0 416.547 2.006 50 0 HEAARO O=C(CN1CCN(c2ccc(F)cc2)CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023642394 558564562 /nfs/dbraw/zinc/56/45/62/558564562.db2.gz YMFZJHCRVJVHSE-UHFFFAOYSA-N 1 0 418.557 2.099 50 0 HEAARO Cc1cc(C[N@@H+](C)[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)on1 ZINC000014742468 558667622 /nfs/dbraw/zinc/66/76/22/558667622.db2.gz VETCHLBDLAVQKF-QGZVFWFLSA-N 1 0 415.538 2.297 50 0 HEAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000014743633 558668022 /nfs/dbraw/zinc/66/80/22/558668022.db2.gz AFDCKUHVYQRXCS-UHFFFAOYSA-N 1 0 422.485 2.282 50 0 HEAARO Cc1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)c(C)c1 ZINC000014749919 558670569 /nfs/dbraw/zinc/67/05/69/558670569.db2.gz SCGYKWMHPVNNTE-FKBYEOEOSA-N 1 0 407.514 2.078 50 0 HEAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000027389798 558672919 /nfs/dbraw/zinc/67/29/19/558672919.db2.gz HGQSKKSDCIERBJ-UHFFFAOYSA-N 1 0 420.513 2.395 50 0 HEAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](CC1CCCCC1)CC2 ZINC000014997228 558696635 /nfs/dbraw/zinc/69/66/35/558696635.db2.gz OSEOFOGCZTUIOS-UHFFFAOYSA-N 1 0 411.550 2.454 50 0 HEAARO Cn1c2cn(CCC[NH+]3CCOCC3)c(-c3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000015083279 558719777 /nfs/dbraw/zinc/71/97/77/558719777.db2.gz GAXQCCPSSUQBFJ-UHFFFAOYSA-N 1 0 416.909 2.081 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671244 558748259 /nfs/dbraw/zinc/74/82/59/558748259.db2.gz HKCIQRHUUPZNIQ-UHFFFAOYSA-N 1 0 401.536 2.205 50 0 HEAARO COc1ccccc1CCNC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000072308298 558770139 /nfs/dbraw/zinc/77/01/39/558770139.db2.gz OORQROXRCKSOFR-UHFFFAOYSA-N 1 0 410.562 2.388 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCC[NH+]1CCCC1 ZINC000032987556 558807345 /nfs/dbraw/zinc/80/73/45/558807345.db2.gz ZUINOVVOSWEYFB-UHFFFAOYSA-N 1 0 423.926 2.172 50 0 HEAARO Cn1ccnc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000039445850 558821329 /nfs/dbraw/zinc/82/13/29/558821329.db2.gz YVMRNPXYEFQNSP-NRFANRHFSA-N 1 0 409.578 2.455 50 0 HEAARO Cc1nc2sccn2c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039509469 558821925 /nfs/dbraw/zinc/82/19/25/558821925.db2.gz UPRGFUBZGGLTGV-LJQANCHMSA-N 1 0 405.612 2.446 50 0 HEAARO Cc1ccc(NC(=O)Nc2ccccc2)c(=O)n1CC(=O)NCC[NH+]1CCCCC1 ZINC000097938414 558825027 /nfs/dbraw/zinc/82/50/27/558825027.db2.gz WBTSPXYKQODKDZ-UHFFFAOYSA-N 1 0 411.506 2.403 50 0 HEAARO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000046960008 558841470 /nfs/dbraw/zinc/84/14/70/558841470.db2.gz WDNMXPCCWHADAY-INIZCTEOSA-N 1 0 413.609 2.387 50 0 HEAARO COc1ccccc1N1CCN(c2ncccc2C[NH2+][C@H](C)Cn2cncn2)CC1 ZINC000067982304 558862493 /nfs/dbraw/zinc/86/24/93/558862493.db2.gz HFTVYDDCCMGZGZ-GOSISDBHSA-N 1 0 407.522 2.187 50 0 HEAARO COc1ccccc1N1CCN(c2ncccc2C[NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000067982303 558862558 /nfs/dbraw/zinc/86/25/58/558862558.db2.gz HFTVYDDCCMGZGZ-SFHVURJKSA-N 1 0 407.522 2.187 50 0 HEAARO CC(=O)N1c2ccccc2[C@@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=[NH2+])N2)C1=O ZINC000019321149 558867505 /nfs/dbraw/zinc/86/75/05/558867505.db2.gz OFNGGMMPGNUHAW-GOSISDBHSA-N 1 0 416.363 2.137 50 0 HEAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)CC1 ZINC000055042005 558870461 /nfs/dbraw/zinc/87/04/61/558870461.db2.gz YYEVXUIYYZQHQM-LJQANCHMSA-N 1 0 424.545 2.427 50 0 HEAARO COc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)ccn1 ZINC000071416370 558897708 /nfs/dbraw/zinc/89/77/08/558897708.db2.gz QYERQANQILYBCE-GOSISDBHSA-N 1 0 400.523 2.029 50 0 HEAARO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)ccc1OC ZINC000058144231 558901721 /nfs/dbraw/zinc/90/17/21/558901721.db2.gz KDRSCDQTLAVZSL-UHFFFAOYSA-N 1 0 409.552 2.036 50 0 HEAARO COc1ccccc1OCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000058174408 558909082 /nfs/dbraw/zinc/90/90/82/558909082.db2.gz VRXFFVSOKHHQEK-UHFFFAOYSA-N 1 0 411.502 2.453 50 0 HEAARO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000058202180 558911540 /nfs/dbraw/zinc/91/15/40/558911540.db2.gz RXDCWVDKTHFECC-ZIFCJYIRSA-N 1 0 423.579 2.041 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)C(=O)CC2)cc1 ZINC000004712582 558917831 /nfs/dbraw/zinc/91/78/31/558917831.db2.gz QCVNWUKFKQGDRA-QGZVFWFLSA-N 1 0 400.523 2.260 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)C(=O)CC2)cc1 ZINC000004712583 558917836 /nfs/dbraw/zinc/91/78/36/558917836.db2.gz QCVNWUKFKQGDRA-KRWDZBQOSA-N 1 0 400.523 2.260 50 0 HEAARO C[C@@H](CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000033254535 558918381 /nfs/dbraw/zinc/91/83/81/558918381.db2.gz QPXCNYPUGPNVAP-SFHVURJKSA-N 1 0 407.580 2.468 50 0 HEAARO 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C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc(F)cc3F)nc1=O)CCC2 ZINC000004851701 559191242 /nfs/dbraw/zinc/19/12/42/559191242.db2.gz DDDJMCREKVWSQR-UHFFFAOYSA-N 1 0 408.474 2.303 50 0 HEAARO COc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1 ZINC000004851653 559191287 /nfs/dbraw/zinc/19/12/87/559191287.db2.gz KOSZIXASMVLNAH-UHFFFAOYSA-N 1 0 402.520 2.033 50 0 HEAARO CCC[NH+](CCC)CCCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004876205 559195366 /nfs/dbraw/zinc/19/53/66/559195366.db2.gz IKAIRBHIKMWEGA-UHFFFAOYSA-N 1 0 414.550 2.136 50 0 HEAARO CC[NH+](CC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccc(OC)cc2)oc1C ZINC000005058417 559238634 /nfs/dbraw/zinc/23/86/34/559238634.db2.gz AQDXUMOBCOINFP-UHFFFAOYSA-N 1 0 423.535 2.031 50 0 HEAARO CCc1nn(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109024 559246808 /nfs/dbraw/zinc/24/68/08/559246808.db2.gz ASKXGWIBEWNKLT-CQSZACIVSA-N 1 0 401.536 2.264 50 0 HEAARO CCc1nn(CC(=O)NCC[NH+]2CCCCCC2)c(=O)c2cc3sccc3n21 ZINC000005109014 559246831 /nfs/dbraw/zinc/24/68/31/559246831.db2.gz REQYWFPELZMHCH-UHFFFAOYSA-N 1 0 401.536 2.265 50 0 HEAARO CCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1 ZINC000005147920 559252775 /nfs/dbraw/zinc/25/27/75/559252775.db2.gz WNDARINICDEGFF-UHFFFAOYSA-N 1 0 424.549 2.011 50 0 HEAARO CCCNC(=O)C1([NH2+]CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCCC1 ZINC000079023248 560541398 /nfs/dbraw/zinc/54/13/98/560541398.db2.gz OACGKFMQJCDQJY-UHFFFAOYSA-N 1 0 400.523 2.336 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000005347254 560570561 /nfs/dbraw/zinc/57/05/61/560570561.db2.gz HLDAZIGKCCKODR-NNBPKYSQSA-N 1 0 403.482 2.448 50 0 HEAARO COc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2C)[NH+]2CCCC2)cc1 ZINC000017911972 560730476 /nfs/dbraw/zinc/73/04/76/560730476.db2.gz ZCFFTBNKBPXFNI-HXUWFJFHSA-N 1 0 417.531 2.218 50 0 HEAARO COc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2C)[NH+]2CCCC2)cc1 ZINC000017911973 560730493 /nfs/dbraw/zinc/73/04/93/560730493.db2.gz ZCFFTBNKBPXFNI-FQEVSTJZSA-N 1 0 417.531 2.218 50 0 HEAARO CCOC(=O)c1sc2ncc(S(=O)(=O)NCCC[NH+]3CC=CC3)cc2c1C ZINC000101416872 560794707 /nfs/dbraw/zinc/79/47/07/560794707.db2.gz JOROTVBMATYTAG-UHFFFAOYSA-N 1 0 409.533 2.322 50 0 HEAARO CC1(C)CC(Nc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000101690158 560799356 /nfs/dbraw/zinc/79/93/56/560799356.db2.gz QZLSOIVMQSMDBC-UHFFFAOYSA-N 1 0 414.525 2.469 50 0 HEAARO C[C@@H]1C[N@H+](C)CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000106170354 560884948 /nfs/dbraw/zinc/88/49/48/560884948.db2.gz NDUVVMIZMQMBOB-IIBYNOLFSA-N 1 0 419.591 2.032 50 0 HEAARO O=C(CN1C[C@H](O)[C@@H]([NH+]2CCCC2)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000106922367 560894494 /nfs/dbraw/zinc/89/44/94/560894494.db2.gz CHJKWUIGTDHSGX-VXKWHMMOSA-N 1 0 413.587 2.460 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044571892 560896862 /nfs/dbraw/zinc/89/68/62/560896862.db2.gz HKFAHVRZNWEKQO-KRWDZBQOSA-N 1 0 413.971 2.341 50 0 HEAARO O=C(Nc1cccc(Cn2cccnc2=O)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000047734563 568431025 /nfs/dbraw/zinc/43/10/25/568431025.db2.gz OIBVYKKZPIECSH-UHFFFAOYSA-N 1 0 418.501 2.473 50 0 HEAARO C[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[NH+]1CCCCC1 ZINC000048234222 568432606 /nfs/dbraw/zinc/43/26/06/568432606.db2.gz UPPRHOXNOAHYAD-CQSZACIVSA-N 1 0 401.960 2.442 50 0 HEAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000048275138 568435498 /nfs/dbraw/zinc/43/54/98/568435498.db2.gz RWOIPWIMOSOKBV-QGZVFWFLSA-N 1 0 407.580 2.159 50 0 HEAARO Cc1noc(/C=C\c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2)c1NC(=O)C1CC1 ZINC000033171082 568511726 /nfs/dbraw/zinc/51/17/26/568511726.db2.gz CZBQWUYGGBUQHG-WDZFZDKYSA-N 1 0 418.519 2.342 50 0 HEAARO CCOC(=O)c1c(NC(=O)C[NH2+]CCCN2CCOCC2)sc2c1CCCCC2 ZINC000095011308 568593880 /nfs/dbraw/zinc/59/38/80/568593880.db2.gz LGCRDGQQXXIVKI-UHFFFAOYSA-N 1 0 423.579 2.444 50 0 HEAARO CN1CC[NH+](C2(C(=O)N3CCC(NC(=O)c4ccc(F)cc4)CC3)CCCC2)CC1 ZINC000095405497 568605923 /nfs/dbraw/zinc/60/59/23/568605923.db2.gz CVOQCBCWLZTMAH-UHFFFAOYSA-N 1 0 416.541 2.107 50 0 HEAARO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448082 568612452 /nfs/dbraw/zinc/61/24/52/568612452.db2.gz LYDHVHRODJSGNP-LJQANCHMSA-N 1 0 415.582 2.415 50 0 HEAARO COc1ccc(N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)nn1 ZINC000095476066 568630348 /nfs/dbraw/zinc/63/03/48/568630348.db2.gz LUTYREPNXPEFIY-UHFFFAOYSA-N 1 0 409.534 2.482 50 0 HEAARO COc1ccc(N2CCC[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000095478348 568631653 /nfs/dbraw/zinc/63/16/53/568631653.db2.gz XPQFGBGOIYNZBF-IBGZPJMESA-N 1 0 409.534 2.482 50 0 HEAARO C[NH+]1CCC(CCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000095482565 568634661 /nfs/dbraw/zinc/63/46/61/568634661.db2.gz BWCHULOPBFFRMP-UHFFFAOYSA-N 1 0 407.580 2.077 50 0 HEAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000020924015 568651327 /nfs/dbraw/zinc/65/13/27/568651327.db2.gz AJFMGXRFDATGNQ-KRWDZBQOSA-N 1 0 401.511 2.420 50 0 HEAARO COc1ccc(S(=O)(=O)N2CC([NH2+][C@H](C)CCc3ccc4c(c3)OCO4)C2)cc1 ZINC000095945438 568663413 /nfs/dbraw/zinc/66/34/13/568663413.db2.gz YSKPLRIQNHBEOH-OAHLLOKOSA-N 1 0 418.515 2.408 50 0 HEAARO Cc1nn2c(ncc(C(=O)NCCCN3CC[NH+](C)CC3)c2C)c1-c1ccccc1 ZINC000021537988 568712982 /nfs/dbraw/zinc/71/29/82/568712982.db2.gz JDAYBJWAJSCHOP-UHFFFAOYSA-N 1 0 406.534 2.380 50 0 HEAARO CCc1nc2c(s1)c(C)nn(CC(=O)N1CCC([NH+]3CCCCC3)CC1)c2=O ZINC000096400081 568749196 /nfs/dbraw/zinc/74/91/96/568749196.db2.gz ZLIWKKVWZUHREK-UHFFFAOYSA-N 1 0 403.552 2.201 50 0 HEAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N1CC2 ZINC000002468422 568772821 /nfs/dbraw/zinc/77/28/21/568772821.db2.gz QTQXEGNQRSHSGD-FCHUYYIVSA-N 1 0 423.513 2.218 50 0 HEAARO Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)n21 ZINC000002947704 568820090 /nfs/dbraw/zinc/82/00/90/568820090.db2.gz YUBAXNQIVJGVPR-IRXDYDNUSA-N 1 0 409.534 2.442 50 0 HEAARO CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000005878390 568827710 /nfs/dbraw/zinc/82/77/10/568827710.db2.gz GTEDCIPVFMHAHS-UHFFFAOYSA-N 1 0 419.551 2.063 50 0 HEAARO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003339419 568855433 /nfs/dbraw/zinc/85/54/33/568855433.db2.gz QGVBPNPAAJMAAQ-UHFFFAOYSA-N 1 0 409.493 2.121 50 0 HEAARO CCOC(=O)C1=C(CN2CCC(C(=O)Nc3ccccc3)CC2)NC(=O)N[C@@H]1CC ZINC000057679802 568857987 /nfs/dbraw/zinc/85/79/87/568857987.db2.gz OETQHTQMGMTGEY-QGZVFWFLSA-N 1 0 414.506 2.246 50 0 HEAARO O=C(c1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000299771496 568874371 /nfs/dbraw/zinc/87/43/71/568874371.db2.gz PEUOBWMJSKWPNL-QHCPKHFHSA-N 1 0 408.546 2.480 50 0 HEAARO CN1CCN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)[C@H](c2ccccc2)C1 ZINC000058015434 568876128 /nfs/dbraw/zinc/87/61/28/568876128.db2.gz BTRMLJGTUUJXDF-NRFANRHFSA-N 1 0 420.513 2.059 50 0 HEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N3CCC[C@@H](c4nnc(C)[nH]4)C3)cc2C1 ZINC000534647350 568878911 /nfs/dbraw/zinc/87/89/11/568878911.db2.gz HYKJRZDCSNFLFB-MRXNPFEDSA-N 1 0 400.531 2.015 50 0 HEAARO CC(C)CN(C(=O)C[N@H+](C)C1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000003389021 568893962 /nfs/dbraw/zinc/89/39/62/568893962.db2.gz HTOBNKFGDPSGRM-UHFFFAOYSA-N 1 0 407.559 2.028 50 0 HEAARO COc1ccc([C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000003452183 568905955 /nfs/dbraw/zinc/90/59/55/568905955.db2.gz XKNWJTSCQXTCGD-FQEVSTJZSA-N 1 0 419.547 2.043 50 0 HEAARO O=C(Cc1ccccc1)N1CC[n+]2c(CN3C(=O)c4ccccc4C3=O)csc21 ZINC000001269175 568909681 /nfs/dbraw/zinc/90/96/81/568909681.db2.gz KWFUTXTVJPLPAP-UHFFFAOYSA-N 1 0 404.471 2.324 50 0 HEAARO NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000670445334 568911277 /nfs/dbraw/zinc/91/12/77/568911277.db2.gz PLIIEAPJDUYFDM-SFHVURJKSA-N 1 0 401.532 2.019 50 0 HEAARO CN(CCN1CCCC1=O)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000083860895 568921355 /nfs/dbraw/zinc/92/13/55/568921355.db2.gz BPBSWETVOXNDIV-IBGZPJMESA-N 1 0 406.958 2.147 50 0 HEAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000670462175 568952184 /nfs/dbraw/zinc/95/21/84/568952184.db2.gz JRLJDEGOERTLHS-IBGZPJMESA-N 1 0 407.942 2.155 50 0 HEAARO CC(=O)c1cc(CC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cs1 ZINC000670467857 568975358 /nfs/dbraw/zinc/97/53/58/568975358.db2.gz RHIWIWOQNALHJK-PDGCRQIGSA-N 1 0 409.555 2.177 50 0 HEAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008319959 568990512 /nfs/dbraw/zinc/99/05/12/568990512.db2.gz SZQMUXRNDSLWLD-GOSISDBHSA-N 1 0 419.572 2.418 50 0 HEAARO Cc1onc2c1c(C)nn(CCCC(=O)N1CC[NH+](C3CCCCC3)CC1)c2=O ZINC000085613726 569004494 /nfs/dbraw/zinc/00/44/94/569004494.db2.gz LBXFMGNTVWLAFN-UHFFFAOYSA-N 1 0 401.511 2.258 50 0 HEAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1 ZINC000085628140 569004967 /nfs/dbraw/zinc/00/49/67/569004967.db2.gz HBASXIUPKGKGGN-SFHVURJKSA-N 1 0 411.550 2.187 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786772 569007644 /nfs/dbraw/zinc/00/76/44/569007644.db2.gz HLFIKBMJTAKXNI-OAHLLOKOSA-N 1 0 406.508 2.038 50 0 HEAARO COc1cc(CN2CC[N@@H+](C3CSCCSC3)C[C@H]2CCO)cc(OC)c1 ZINC000104379129 569008519 /nfs/dbraw/zinc/00/85/19/569008519.db2.gz AUHLOHVEMCVZKT-QGZVFWFLSA-N 1 0 412.621 2.421 50 0 HEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000015825191 569011365 /nfs/dbraw/zinc/01/13/65/569011365.db2.gz HMYSMXNDOPPKQP-UHFFFAOYSA-N 1 0 413.501 2.030 50 0 HEAARO CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)NC)ccc2C)[NH+](C)C)cc1 ZINC000013015654 569050859 /nfs/dbraw/zinc/05/08/59/569050859.db2.gz CWKKTMFWTUIZEN-FQEVSTJZSA-N 1 0 403.548 2.498 50 0 HEAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCN(CC(F)(F)F)CC2)cn1 ZINC000089466112 569060689 /nfs/dbraw/zinc/06/06/89/569060689.db2.gz NEGIIHLNYBTZBL-INIZCTEOSA-N 1 0 400.445 2.198 50 0 HEAARO Cc1ccc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c(C)c1 ZINC000064459852 569063009 /nfs/dbraw/zinc/06/30/09/569063009.db2.gz ISAVEEDUKJOADD-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035877151 569064314 /nfs/dbraw/zinc/06/43/14/569064314.db2.gz WDEINBOUOXDXJQ-MTXNFPGFSA-N 1 0 401.466 2.156 50 0 HEAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](Cc4nc(C)no4)C3)C2=O)c1OC ZINC000426578875 569073488 /nfs/dbraw/zinc/07/34/88/569073488.db2.gz VCVXENOIFYBXTO-NRFANRHFSA-N 1 0 400.479 2.410 50 0 HEAARO COc1cc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)cc(OC)c1OC ZINC000006724357 569100036 /nfs/dbraw/zinc/10/00/36/569100036.db2.gz YWYDFCOFTYVARF-UHFFFAOYSA-N 1 0 402.451 2.386 50 0 HEAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[NH+](C)C)[C@H]1c3ccccc3CCN1C2=O ZINC000006729659 569102722 /nfs/dbraw/zinc/10/27/22/569102722.db2.gz RFBAMLHQIXJZME-FGZHOGPDSA-N 1 0 423.513 2.218 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1 ZINC000036310008 569131227 /nfs/dbraw/zinc/13/12/27/569131227.db2.gz ITFVQSCQECHFTB-SNVBAGLBSA-N 1 0 400.298 2.253 50 0 HEAARO CC1CC[NH+](CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1 ZINC000006839667 569150375 /nfs/dbraw/zinc/15/03/75/569150375.db2.gz HBPNWRGQTPXNSS-UHFFFAOYSA-N 1 0 416.547 2.226 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)C2CCN(c3ncc(-c4ccccc4)cn3)CC2)CC1 ZINC000065023947 569155250 /nfs/dbraw/zinc/15/52/50/569155250.db2.gz GZWIJBKXQQZQRS-UHFFFAOYSA-N 1 0 422.577 2.114 50 0 HEAARO O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)NCC[NH+]=C2NC1CCCCC1 ZINC000065074644 569168995 /nfs/dbraw/zinc/16/89/95/569168995.db2.gz JQVFDHKIEAEFEZ-UHFFFAOYSA-N 1 0 408.543 2.273 50 0 biogenic HEAARO Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2ccccc2)CC3)cc1 ZINC000065074682 569169034 /nfs/dbraw/zinc/16/90/34/569169034.db2.gz FEUSNTHCXNGXEM-UHFFFAOYSA-N 1 0 412.559 2.310 50 0 biogenic HEAARO Cc1ccc2oc(=O)n(Cc3noc(C(=O)NCCC[NH+]4CCC(C)CC4)n3)c2c1 ZINC000065111750 569180268 /nfs/dbraw/zinc/18/02/68/569180268.db2.gz XHQURTCKRMMXTL-UHFFFAOYSA-N 1 0 413.478 2.186 50 0 HEAARO C[C@@H](CCNC(=O)c1nc(Cn2c3ccccc3oc2=O)no1)[NH+]1CCCCCC1 ZINC000065111684 569180278 /nfs/dbraw/zinc/18/02/78/569180278.db2.gz IGYRUNQXABHSLF-HNNXBMFYSA-N 1 0 413.478 2.410 50 0 HEAARO CC1CC[NH+](CCNC(=O)c2nc(Cn3c(=O)oc4ccc(Cl)cc43)no2)CC1 ZINC000065111846 569180390 /nfs/dbraw/zinc/18/03/90/569180390.db2.gz VPLKSZZEGQWKNV-UHFFFAOYSA-N 1 0 419.869 2.141 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000524730678 569211963 /nfs/dbraw/zinc/21/19/63/569211963.db2.gz SKWVAMXOLBQJSB-LEWJYISDSA-N 1 0 415.582 2.433 50 0 HEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000524732196 569212570 /nfs/dbraw/zinc/21/25/70/569212570.db2.gz HFEUUKNMDASJHA-JENIJYKNSA-N 1 0 413.518 2.191 50 0 HEAARO CC(=O)Nc1nsc(N2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)n1 ZINC000065307657 569219870 /nfs/dbraw/zinc/21/98/70/569219870.db2.gz VASPKQZOCUKAPL-UHFFFAOYSA-N 1 0 420.583 2.190 50 0 HEAARO Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000017012886 569271346 /nfs/dbraw/zinc/27/13/46/569271346.db2.gz SSZRRWJKTOXXER-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]1 ZINC000007451848 569280540 /nfs/dbraw/zinc/28/05/40/569280540.db2.gz ISSSDOOULVQKLG-UHFFFAOYSA-N 1 0 409.490 2.466 50 0 HEAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000252452396 569286380 /nfs/dbraw/zinc/28/63/80/569286380.db2.gz GNDIWIHDBCRDFG-WMQCIHAUSA-N 1 0 415.582 2.445 50 0 HEAARO C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170656122 569295493 /nfs/dbraw/zinc/29/54/93/569295493.db2.gz AQCYOJZQPSYNGT-UHFFFAOYSA-N 1 0 410.437 2.096 50 0 HEAARO CCn1nccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(C(C)C)CC1)CCO2 ZINC000581820209 569321135 /nfs/dbraw/zinc/32/11/35/569321135.db2.gz XYJUJOBKWSITEC-LJQANCHMSA-N 1 0 403.571 2.083 50 0 HEAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000054887302 569325257 /nfs/dbraw/zinc/32/52/57/569325257.db2.gz KYGDFRZXJUQQBF-AVRDEDQJSA-N 1 0 413.562 2.313 50 0 HEAARO CS[C@H]1CC[C@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000078947791 569421946 /nfs/dbraw/zinc/42/19/46/569421946.db2.gz ANJNLPORIAPWFC-WMZOPIPTSA-N 1 0 414.593 2.302 50 0 HEAARO COCC[N@@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670472607 571096800 /nfs/dbraw/zinc/09/68/00/571096800.db2.gz RSHBFJZEYXDMSR-CYBMUJFWSA-N 1 0 402.322 2.198 50 0 HEAARO C[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008996524 571208741 /nfs/dbraw/zinc/20/87/41/571208741.db2.gz TTYCRIHEOOCSKV-MRXNPFEDSA-N 1 0 417.513 2.345 50 0 HEAARO COc1ccc([C@@H](CNC(=O)Cn2cnc3sccc3c2=O)[NH+]2CCCC2)cc1 ZINC000009054266 571216643 /nfs/dbraw/zinc/21/66/43/571216643.db2.gz RUQBBDGPKNQSDX-GOSISDBHSA-N 1 0 412.515 2.420 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009482283 571262154 /nfs/dbraw/zinc/26/21/54/571262154.db2.gz NLIDYBIGTXEDPV-LJQANCHMSA-N 1 0 422.529 2.198 50 0 HEAARO COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000009621984 571274175 /nfs/dbraw/zinc/27/41/75/571274175.db2.gz LHHBBBMWZQYUQI-UHFFFAOYSA-N 1 0 413.474 2.456 50 0 HEAARO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000009647391 571276590 /nfs/dbraw/zinc/27/65/90/571276590.db2.gz POPDUSTUEJMZBF-SFHVURJKSA-N 1 0 403.475 2.485 50 0 HEAARO O=C(CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCC[NH+]1CCCC1 ZINC000581774426 1078748469 /nfs/dbraw/zinc/74/84/69/1078748469.db2.gz UUPXYWSDGPNTKD-KRWDZBQOSA-N 1 0 411.543 2.219 50 0 HEAARO Cc1c(C[NH+]2CCC(Cc3ccc(CCNS(C)(=O)=O)cc3)CC2)cnn1C ZINC000581813273 1078779385 /nfs/dbraw/zinc/77/93/85/1078779385.db2.gz QTRMDNPPEMJRNU-UHFFFAOYSA-N 1 0 404.580 2.275 50 0 HEAARO COCCn1c(C)c[nH+]c1CC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 ZINC000581816586 1078786566 /nfs/dbraw/zinc/78/65/66/1078786566.db2.gz GPMMFXJIPPCUJT-UHFFFAOYSA-N 1 0 412.490 2.227 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000002227470 132249802 /nfs/dbraw/zinc/24/98/02/132249802.db2.gz GJZQWFUJWDYITH-WOJBJXKFSA-N 1 0 406.486 2.215 50 0 HEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cc(F)ccc1F ZINC000012069434 132353341 /nfs/dbraw/zinc/35/33/41/132353341.db2.gz FGEHORRKPGMFBS-UHFFFAOYSA-N 1 0 402.445 2.232 50 0 HEAARO CC(=O)c1ccc(N2CCN(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)c(F)c1 ZINC000032863583 518349313 /nfs/dbraw/zinc/34/93/13/518349313.db2.gz ZKMCWKAZQCKEKD-LJQANCHMSA-N 1 0 420.529 2.217 50 0 HEAARO CC[NH+]1CCN(CCCNS(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000032916509 521682438 /nfs/dbraw/zinc/68/24/38/521682438.db2.gz GBIPFILTJRYLNY-UHFFFAOYSA-N 1 0 404.374 2.063 50 0 HEAARO C[NH+](C)CCn1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O ZINC000032747187 521819265 /nfs/dbraw/zinc/81/92/65/521819265.db2.gz BJUDSZUMHCIMRJ-UHFFFAOYSA-N 1 0 402.545 2.428 50 0 HEAARO CCn1c2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2[nH]c(=O)c1=O ZINC000032761471 523262333 /nfs/dbraw/zinc/26/23/33/523262333.db2.gz GYKSKLTZCWNQGI-QGZVFWFLSA-N 1 0 412.515 2.338 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccsc2)CC1 ZINC000022766264 523917489 /nfs/dbraw/zinc/91/74/89/523917489.db2.gz OQLPHNATVKGAHS-KRWDZBQOSA-N 1 0 408.474 2.070 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)c(C)c1 ZINC000045944256 524313606 /nfs/dbraw/zinc/31/36/06/524313606.db2.gz YQFDDNCLMCSPNJ-UHFFFAOYSA-N 1 0 409.596 2.471 50 0 HEAARO COc1ccc(OC)c(C[N@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c1 ZINC000020598733 524827827 /nfs/dbraw/zinc/82/78/27/524827827.db2.gz IWAWMJJRHCRKOX-UHFFFAOYSA-N 1 0 421.501 2.284 50 0 HEAARO CS(=O)(=O)NC1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000032870945 525189626 /nfs/dbraw/zinc/18/96/26/525189626.db2.gz GDJRADQBBSWUPT-HXUWFJFHSA-N 1 0 421.588 2.357 50 0 HEAARO O=C(CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCC1 ZINC000025127784 526773041 /nfs/dbraw/zinc/77/30/41/526773041.db2.gz WOXLLCKIALUWKF-FQEVSTJZSA-N 1 0 420.557 2.395 50 0 HEAARO NC(=O)C1CC[NH+](CCCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000032916417 526857630 /nfs/dbraw/zinc/85/76/30/526857630.db2.gz ZMQORRFUUDWJKV-UHFFFAOYSA-N 1 0 408.351 2.249 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(Cc2cccc(Br)c2)C1 ZINC000034916552 557482680 /nfs/dbraw/zinc/48/26/80/557482680.db2.gz VOCHDPOQZKOGBF-MRXNPFEDSA-N 1 0 408.340 2.400 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1F ZINC000022767171 557814876 /nfs/dbraw/zinc/81/48/76/557814876.db2.gz ONXKTIRUMYLLQL-KRWDZBQOSA-N 1 0 413.540 2.163 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc(F)cc2)CC1 ZINC000022778661 557821451 /nfs/dbraw/zinc/82/14/51/557821451.db2.gz YXCJAFSRPFLWBA-LJQANCHMSA-N 1 0 402.445 2.008 50 0 HEAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795049 557822316 /nfs/dbraw/zinc/82/23/16/557822316.db2.gz UOZZMIUCBWJGOE-NRFANRHFSA-N 1 0 421.538 2.410 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795448 557822558 /nfs/dbraw/zinc/82/25/58/557822558.db2.gz RJBFDGCELYGYSW-NRFANRHFSA-N 1 0 410.518 2.047 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022796055 557822895 /nfs/dbraw/zinc/82/28/95/557822895.db2.gz DLKMJDFIELHLJT-IBGZPJMESA-N 1 0 402.445 2.008 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc(F)cc2)CC1 ZINC000022796305 557823109 /nfs/dbraw/zinc/82/31/09/557823109.db2.gz QQQUIXOGRDWSLN-IBGZPJMESA-N 1 0 420.435 2.147 50 0 HEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1C(=O)N1CCCC1 ZINC000010279355 557858085 /nfs/dbraw/zinc/85/80/85/557858085.db2.gz HUUXFJJPKDUWEU-UHFFFAOYSA-N 1 0 409.552 2.086 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC ZINC000011668216 558269994 /nfs/dbraw/zinc/26/99/94/558269994.db2.gz CLBJVGSQSFZIPN-GOSISDBHSA-N 1 0 419.547 2.426 50 0 HEAARO COc1cccc2ccc(C[N@H+]3CCc4nnc([C@@H](C)NC(=O)C5CC5)n4CC3)nc21 ZINC000011790301 558277165 /nfs/dbraw/zinc/27/71/65/558277165.db2.gz YOONMBUFSJQQBO-OAHLLOKOSA-N 1 0 420.517 2.480 50 0 HEAARO O[C@H](COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1)CN1CCOCC1 ZINC000019794879 558284071 /nfs/dbraw/zinc/28/40/71/558284071.db2.gz GTYCTEJGJYXXNQ-QHCPKHFHSA-N 1 0 417.594 2.209 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc(C)nc(N)n3)C2)cc1OC ZINC000011843673 558288503 /nfs/dbraw/zinc/28/85/03/558288503.db2.gz LEYNKSQQAXBNAI-QGZVFWFLSA-N 1 0 413.522 2.164 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCN2CCCC2=O)C1 ZINC000011933014 558297896 /nfs/dbraw/zinc/29/78/96/558297896.db2.gz CUXDMCHTXOQMNY-IBGZPJMESA-N 1 0 401.551 2.421 50 0 HEAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccn2-c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000011933228 558297932 /nfs/dbraw/zinc/29/79/32/558297932.db2.gz HXBBDBCKJKNRBG-QGZVFWFLSA-N 1 0 421.505 2.276 50 0 HEAARO CN1C(=O)C(=C(NCC[NH+]2CCCCC2)c2ccccc2Cl)C(=O)N(C)C1=O ZINC000019867480 558299170 /nfs/dbraw/zinc/29/91/70/558299170.db2.gz ZBWFIHSQJBIIMT-UHFFFAOYSA-N 1 0 404.898 2.177 50 0 HEAARO CCOc1ccc(N2C(=O)C[C@H](N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000019890130 558302762 /nfs/dbraw/zinc/30/27/62/558302762.db2.gz AJDGTHVZKGEGJG-NRFANRHFSA-N 1 0 415.534 2.152 50 0 HEAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CCn1cnnn1 ZINC000012029690 558310989 /nfs/dbraw/zinc/31/09/89/558310989.db2.gz MBGCBPVMSZTUQU-QGZVFWFLSA-N 1 0 424.471 2.495 50 0 HEAARO COCc1c(C(=O)N2CCC[N@H+](C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012098636 558325240 /nfs/dbraw/zinc/32/52/40/558325240.db2.gz YVPYFEZHVDWHGB-UHFFFAOYSA-N 1 0 424.480 2.393 50 0 HEAARO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]C[C@H]1CCCO1 ZINC000012135198 558333530 /nfs/dbraw/zinc/33/35/30/558333530.db2.gz VQKAFPJGNFNQRZ-OAHLLOKOSA-N 1 0 410.474 2.170 50 0 HEAARO O=C(CCc1cccnc1)NCc1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000012211080 558354087 /nfs/dbraw/zinc/35/40/87/558354087.db2.gz CVWLVNAFGIUPKT-UHFFFAOYSA-N 1 0 408.481 2.120 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)C[C@H]1CCC(=O)N1 ZINC000012227834 558357302 /nfs/dbraw/zinc/35/73/02/558357302.db2.gz ZYHLVVXPIDJVJI-LJQANCHMSA-N 1 0 405.514 2.181 50 0 HEAARO COCC(=O)N1CCC(Oc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)cc2)CC1 ZINC000012430957 558405657 /nfs/dbraw/zinc/40/56/57/558405657.db2.gz KYNMYXUVVNTTJN-OAQYLSRUSA-N 1 0 417.550 2.115 50 0 HEAARO CCCCNC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012448832 558415596 /nfs/dbraw/zinc/41/55/96/558415596.db2.gz FZOOGUOUZAWEPY-IBGZPJMESA-N 1 0 401.555 2.384 50 0 HEAARO O=C(C1CC[NH+](C2CCN(Cc3ccc(OCCO)cc3)CC2)CC1)N1CCCC1 ZINC000020910198 558422166 /nfs/dbraw/zinc/42/21/66/558422166.db2.gz RLNFAOWNQBEZKL-UHFFFAOYSA-N 1 0 415.578 2.357 50 0 HEAARO COc1ccc(-c2noc(CN(C)CCCC[NH+]3CCOCC3)n2)c(OC)c1OC ZINC000012480077 558423166 /nfs/dbraw/zinc/42/31/66/558423166.db2.gz FFLWPLDBONJIRP-UHFFFAOYSA-N 1 0 420.510 2.307 50 0 HEAARO O=C(CN1CCC(O)CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000021581930 558442000 /nfs/dbraw/zinc/44/20/00/558442000.db2.gz ZIFUIUOHUGPUGO-UHFFFAOYSA-N 1 0 408.546 2.404 50 0 HEAARO COC[C@H](O)CNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708970 558451330 /nfs/dbraw/zinc/45/13/30/558451330.db2.gz XCFHEAQIDYFTCU-GOSISDBHSA-N 1 0 406.523 2.218 50 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558604624 /nfs/dbraw/zinc/60/46/24/558604624.db2.gz IBFYXHUEHSJNLK-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000013942021 558604630 /nfs/dbraw/zinc/60/46/30/558604630.db2.gz YKCSWMOBJVVEQK-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014531652 558656260 /nfs/dbraw/zinc/65/62/60/558656260.db2.gz WYHUGPDCPRXACJ-IBGZPJMESA-N 1 0 417.575 2.480 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014543075 558660772 /nfs/dbraw/zinc/66/07/72/558660772.db2.gz NFXVCYIFUCVVJU-GOSISDBHSA-N 1 0 403.523 2.357 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@H]3CCSC3)CC2)C1=O ZINC000014543315 558660975 /nfs/dbraw/zinc/66/09/75/558660975.db2.gz AFGMGOBXPNMSJZ-IBGZPJMESA-N 1 0 417.575 2.480 50 0 HEAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+]([C@H]2CCSC2)CC3)cc1 ZINC000014731351 558665233 /nfs/dbraw/zinc/66/52/33/558665233.db2.gz ZSRNAVUVMXPEAK-KRWDZBQOSA-N 1 0 403.548 2.472 50 0 HEAARO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H]([NH2+]Cc3cc(F)ccc3F)C[C@@H]12 ZINC000014749404 558670390 /nfs/dbraw/zinc/67/03/90/558670390.db2.gz AZSPCOHZXQCPIX-NDXORKPFSA-N 1 0 424.451 2.246 50 0 HEAARO COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000015073857 558714410 /nfs/dbraw/zinc/71/44/10/558714410.db2.gz DSRCLEFYJMJEDT-SFHVURJKSA-N 1 0 417.550 2.117 50 0 HEAARO COc1cccc(C[NH2+]Cc2ccccc2C)c1OC[C@H](O)CN1CCOCC1 ZINC000015075035 558715469 /nfs/dbraw/zinc/71/54/69/558715469.db2.gz INWBGCHXCZDUOE-OAQYLSRUSA-N 1 0 400.519 2.365 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000015077661 558717254 /nfs/dbraw/zinc/71/72/54/558717254.db2.gz MNIJDDNFRLHJDX-QGZVFWFLSA-N 1 0 401.555 2.131 50 0 HEAARO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCC(=O)N1C(=O)[C@H]1CCC[NH2+]1 ZINC000015108598 558723592 /nfs/dbraw/zinc/72/35/92/558723592.db2.gz TYIUACDVEQXMMP-HZPDHXFCSA-N 1 0 413.474 2.326 50 0 HEAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000030947304 558746749 /nfs/dbraw/zinc/74/67/49/558746749.db2.gz AKMZUDNOCSYLMD-UHFFFAOYSA-N 1 0 413.543 2.429 50 0 HEAARO Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)c1 ZINC000015671243 558748364 /nfs/dbraw/zinc/74/83/64/558748364.db2.gz DYNOBUBUPJQKJT-UHFFFAOYSA-N 1 0 401.536 2.205 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022187 558767954 /nfs/dbraw/zinc/76/79/54/558767954.db2.gz NVVBORDBMCXQLB-KXBZBNQCSA-N 1 0 405.495 2.098 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016024879 558768806 /nfs/dbraw/zinc/76/88/06/558768806.db2.gz JZVXWJKGRYEPKY-FDGPYGQJSA-N 1 0 403.482 2.450 50 0 HEAARO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000072313574 558840576 /nfs/dbraw/zinc/84/05/76/558840576.db2.gz XZTNRYLWPQJVBR-QGZVFWFLSA-N 1 0 404.511 2.133 50 0 HEAARO CN1CC[NH+](C2(CNC(=O)c3cn(CCc4ccccc4)nn3)CCCCC2)CC1 ZINC000019226270 558852736 /nfs/dbraw/zinc/85/27/36/558852736.db2.gz HAVJASPPAHYPAP-UHFFFAOYSA-N 1 0 410.566 2.201 50 0 HEAARO COc1ccc([C@H](C[NH2+]C[C@@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000019369698 558878092 /nfs/dbraw/zinc/87/80/92/558878092.db2.gz OXBVTFZPCZPEAI-OFNKIYASSA-N 1 0 400.519 2.406 50 0 HEAARO COc1ccc(C[C@H]([NH2+]C[C@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993526 558893207 /nfs/dbraw/zinc/89/32/07/558893207.db2.gz YNISYUGGABUNQW-REWPJTCUSA-N 1 0 400.519 2.270 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000058146153 558902002 /nfs/dbraw/zinc/90/20/02/558902002.db2.gz HHKAFHXJRAICGL-QGZVFWFLSA-N 1 0 419.522 2.318 50 0 HEAARO CN(c1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1)S(C)(=O)=O ZINC000065364194 558975390 /nfs/dbraw/zinc/97/53/90/558975390.db2.gz OPQYOOOWWVATFY-UHFFFAOYSA-N 1 0 402.520 2.087 50 0 HEAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)[nH+]1 ZINC000072446645 558982426 /nfs/dbraw/zinc/98/24/26/558982426.db2.gz OJSQZCSMCDQCOM-UHFFFAOYSA-N 1 0 419.533 2.474 50 0 HEAARO COc1cccc(-c2cn3c(C(=O)NCC4(O)CC[NH+](C)CC4)csc3n2)c1 ZINC000067491188 558986934 /nfs/dbraw/zinc/98/69/34/558986934.db2.gz AMZFGCBTCQBEPB-UHFFFAOYSA-N 1 0 400.504 2.258 50 0 HEAARO O=C([C@@H]1C[NH2+]CCO1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067851576 558993974 /nfs/dbraw/zinc/99/39/74/558993974.db2.gz MUTZXQSQRXOHDM-KRWDZBQOSA-N 1 0 411.483 2.378 50 0 HEAARO C[N@H+](CCCN1CC2(CCN(C(=O)[C@@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000077299873 559000763 /nfs/dbraw/zinc/00/07/63/559000763.db2.gz IDOIFTFWNSZRBT-GOSISDBHSA-N 1 0 407.555 2.491 50 0 HEAARO CCc1ccc(C(=O)N2CCC3(CN(CC[N@H+](C)CCOC)C(=O)O3)CC2)s1 ZINC000077457447 559005907 /nfs/dbraw/zinc/00/59/07/559005907.db2.gz LGCYPAGYFKVSDX-UHFFFAOYSA-N 1 0 409.552 2.316 50 0 HEAARO C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 ZINC000023129687 559018353 /nfs/dbraw/zinc/01/83/53/559018353.db2.gz CEGMLPIWDMPKHB-UHFFFAOYSA-N 1 0 407.561 2.093 50 0 HEAARO O=C(NCC1(CO)CCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121455 559039569 /nfs/dbraw/zinc/03/95/69/559039569.db2.gz SNJWCRONHAVOIX-FQEVSTJZSA-N 1 0 400.567 2.037 50 0 HEAARO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)n1 ZINC000082139191 559040653 /nfs/dbraw/zinc/04/06/53/559040653.db2.gz YVSHVKRFECMLLZ-FQEVSTJZSA-N 1 0 410.566 2.448 50 0 HEAARO O=C(NC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082147575 559040805 /nfs/dbraw/zinc/04/08/05/559040805.db2.gz PESWYJVKPYTECH-FQEVSTJZSA-N 1 0 400.567 2.179 50 0 HEAARO O=C(c1ncoc1C1CC1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082148139 559040986 /nfs/dbraw/zinc/04/09/86/559040986.db2.gz QEBCNFLJCUSIOA-KRWDZBQOSA-N 1 0 400.523 2.491 50 0 HEAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@@]4(C3)c3ccccc3NC4=O)cc(=O)c2c1 ZINC000091645187 559072589 /nfs/dbraw/zinc/07/25/89/559072589.db2.gz HGTUHCPEBNRZCJ-HSZRJFAPSA-N 1 0 402.454 2.113 50 0 HEAARO CNC(=O)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091707874 559073185 /nfs/dbraw/zinc/07/31/85/559073185.db2.gz LMNIEXAHJAFSRL-OAQYLSRUSA-N 1 0 414.594 2.000 50 0 HEAARO CCN(C)c1ccnc(N2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095358135 559079853 /nfs/dbraw/zinc/07/98/53/559079853.db2.gz OTAGPSVYENLODH-KNKQGSTJSA-N 1 0 403.571 2.277 50 0 HEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1CC(=O)OC13CCCC3)CC2 ZINC000096164917 559100912 /nfs/dbraw/zinc/10/09/12/559100912.db2.gz PNIOVWMKXRNYOZ-MRXNPFEDSA-N 1 0 400.523 2.371 50 0 HEAARO COCCN1CC[C@@]2(CN(c3cccc(C(F)(F)F)n3)CC[N@@H+]2C)CCC1=O ZINC000107399862 559165161 /nfs/dbraw/zinc/16/51/61/559165161.db2.gz OYBQVGHPZOGJGB-GOSISDBHSA-N 1 0 400.445 2.250 50 0 HEAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)C1 ZINC000004916320 559204212 /nfs/dbraw/zinc/20/42/12/559204212.db2.gz MHHDPQWYYKIBKI-IRXDYDNUSA-N 1 0 409.534 2.372 50 0 HEAARO Cc1csc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)n1 ZINC000005254463 560552127 /nfs/dbraw/zinc/55/21/27/560552127.db2.gz PNAWMZCWLZMQPW-UHFFFAOYSA-N 1 0 407.565 2.179 50 0 HEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652725 560779398 /nfs/dbraw/zinc/77/93/98/560779398.db2.gz WSHZHCSWFTULAL-VFUGHAIPSA-N 1 0 418.586 2.219 50 0 HEAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000047553427 560892064 /nfs/dbraw/zinc/89/20/64/560892064.db2.gz IJNPUMFWYDZONJ-UHFFFAOYSA-N 1 0 418.501 2.457 50 0 HEAARO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C2=O ZINC000048270697 568433907 /nfs/dbraw/zinc/43/39/07/568433907.db2.gz HTBVRFMKKRPUNO-RPIYSHSISA-N 1 0 406.571 2.361 50 0 HEAARO CN(c1ccc(OCC(=O)NCC[N@H+](C)C2CC2)cc1)S(=O)(=O)c1cccs1 ZINC000048265197 568433911 /nfs/dbraw/zinc/43/39/11/568433911.db2.gz CYKQWQAKFVNCFV-UHFFFAOYSA-N 1 0 423.560 2.162 50 0 HEAARO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000048324656 568438464 /nfs/dbraw/zinc/43/84/64/568438464.db2.gz QXUJABPLYMQTGI-UHFFFAOYSA-N 1 0 417.531 2.344 50 0 HEAARO Cc1ccc(C[N@@H+]2CCc3ncn(CC(=O)NCc4ccccc4)c(=O)c3C2)cc1 ZINC000049400899 568447583 /nfs/dbraw/zinc/44/75/83/568447583.db2.gz PEOWEEKYOGVFRX-UHFFFAOYSA-N 1 0 402.498 2.426 50 0 HEAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 ZINC000012233711 568454606 /nfs/dbraw/zinc/45/46/06/568454606.db2.gz FHNVJRYQHYAYRL-KRWDZBQOSA-N 1 0 412.538 2.339 50 0 HEAARO CN1CCO[C@H]([C@@H](NC(=O)CNC(=O)Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000222051322 568513926 /nfs/dbraw/zinc/51/39/26/568513926.db2.gz YDYXDBOLJJIPGP-UGKGYDQZSA-N 1 0 415.921 2.187 50 0 HEAARO CCc1nn(CC(=O)N2CC[NH+](C3CCCCC3)CC2)c(=O)c2cc3occc3n21 ZINC000020416703 568606166 /nfs/dbraw/zinc/60/61/66/568606166.db2.gz PUTDEDHMDJMRMW-UHFFFAOYSA-N 1 0 411.506 2.282 50 0 HEAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32c3ccccc3NC2=O)cc1 ZINC000020611356 568637108 /nfs/dbraw/zinc/63/71/08/568637108.db2.gz HYEGWQYYXAEAMH-AZXNSQLWSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO Cn1c2ccc(S(=O)(=O)N3CCC(C[NH+]4CCCCCC4)CC3)cc2oc1=O ZINC000020946194 568653394 /nfs/dbraw/zinc/65/33/94/568653394.db2.gz VYEMGGSLUCRJAO-UHFFFAOYSA-N 1 0 407.536 2.408 50 0 HEAARO O=C(Nc1cccc(Cl)c1)N1CCN(c2cc(N3CCOCC3)cn[nH+]2)CC1 ZINC000096098693 568689805 /nfs/dbraw/zinc/68/98/05/568689805.db2.gz YXSRKICDBVBINA-UHFFFAOYSA-N 1 0 402.886 2.321 50 0 HEAARO Cc1c(C)n(-c2ccccc2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000005796710 568734190 /nfs/dbraw/zinc/73/41/90/568734190.db2.gz SBDXDVHGLRBJLA-UHFFFAOYSA-N 1 0 420.517 2.241 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582906 568770989 /nfs/dbraw/zinc/77/09/89/568770989.db2.gz LOYNHUJRJWPOHC-KNQAVFIVSA-N 1 0 408.546 2.277 50 0 HEAARO C[N@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Cl ZINC000028852645 568812275 /nfs/dbraw/zinc/81/22/75/568812275.db2.gz SECUXXCLNGPCPZ-UHFFFAOYSA-N 1 0 409.939 2.168 50 0 HEAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCCc1nnc2n1CCCCC2 ZINC000056828169 568818154 /nfs/dbraw/zinc/81/81/54/568818154.db2.gz POJZNVZJCDSAIX-UHFFFAOYSA-N 1 0 402.518 2.460 50 0 HEAARO CCOC(=O)C1=C(CN2CCC(C(=O)Nc3ccccc3)CC2)NC(=O)N[C@H]1CC ZINC000057679804 568858032 /nfs/dbraw/zinc/85/80/32/568858032.db2.gz OETQHTQMGMTGEY-KRWDZBQOSA-N 1 0 414.506 2.246 50 0 HEAARO Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1C ZINC000299773247 568874322 /nfs/dbraw/zinc/87/43/22/568874322.db2.gz BLSKFNNQPAVBGG-QFIPXVFZSA-N 1 0 413.562 2.383 50 0 HEAARO O=C1CO[C@H](CNc2ncnc3ccsc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299792734 568876095 /nfs/dbraw/zinc/87/60/95/568876095.db2.gz GMKVJMRIIIMHIW-QGZVFWFLSA-N 1 0 415.563 2.453 50 0 HEAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ccccn5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000004045018 568880219 /nfs/dbraw/zinc/88/02/19/568880219.db2.gz TYXOONJQIUQGFQ-QPQXOQRGSA-N 1 0 411.546 2.489 50 0 biogenic HEAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cnc2c(c1)CCCC2 ZINC000670438656 568884583 /nfs/dbraw/zinc/88/45/83/568884583.db2.gz AEBWUHZYPMEVHT-KOXWRSSLSA-N 1 0 402.542 2.258 50 0 HEAARO COc1ccc([C@H]2[C@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661109 568923623 /nfs/dbraw/zinc/92/36/23/568923623.db2.gz NYHXRKIRWTWIRQ-RTWAWAEBSA-N 1 0 411.502 2.292 50 0 HEAARO CCCCCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000015864216 569016391 /nfs/dbraw/zinc/01/63/91/569016391.db2.gz GUYJXGMUXWYANJ-UHFFFAOYSA-N 1 0 409.596 2.498 50 0 HEAARO C[C@H](CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000015864254 569016393 /nfs/dbraw/zinc/01/63/93/569016393.db2.gz HYGTZSIXNLWEEI-QGZVFWFLSA-N 1 0 419.522 2.052 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000012922106 569023128 /nfs/dbraw/zinc/02/31/28/569023128.db2.gz QXIBIJYALAVCSW-LJQANCHMSA-N 1 0 401.532 2.030 50 0 HEAARO CSCC[C@H]1[NH2+][C@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015958921 569024730 /nfs/dbraw/zinc/02/47/30/569024730.db2.gz FRCWUYJLWKGFRZ-DBHNTLKXSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[NH+]3CCCC3)n2C)c1 ZINC000035561074 569044949 /nfs/dbraw/zinc/04/49/49/569044949.db2.gz AFJOXHGKHQJCSO-UHFFFAOYSA-N 1 0 406.552 2.034 50 0 HEAARO NC(=O)[C@H]1CCCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000006604913 569071020 /nfs/dbraw/zinc/07/10/20/569071020.db2.gz JNVMWJUUIMREMC-HNNXBMFYSA-N 1 0 415.515 2.250 50 0 HEAARO NC(=O)[C@@H]1CCCN(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000006604914 569071036 /nfs/dbraw/zinc/07/10/36/569071036.db2.gz JNVMWJUUIMREMC-OAHLLOKOSA-N 1 0 415.515 2.250 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991458 569074623 /nfs/dbraw/zinc/07/46/23/569074623.db2.gz FDFVGJAHPIIBSH-FQEVSTJZSA-N 1 0 400.523 2.146 50 0 HEAARO Cc1cccc(CN2CCCn3nc(C(=O)NCCC[NH+]4CCCC4)cc3C2=O)c1 ZINC000064665612 569078381 /nfs/dbraw/zinc/07/83/81/569078381.db2.gz VZLDVIACVIXRFO-UHFFFAOYSA-N 1 0 409.534 2.453 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036255042 569120264 /nfs/dbraw/zinc/12/02/64/569120264.db2.gz VBHLUDLBURTHMZ-QFIPXVFZSA-N 1 0 418.626 2.482 50 0 HEAARO CC[NH+](CC)CCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O ZINC000006807873 569132187 /nfs/dbraw/zinc/13/21/87/569132187.db2.gz OLVGNATZZBHOTH-UHFFFAOYSA-N 1 0 409.534 2.321 50 0 HEAARO C[C@H](CCNC(=O)c1nc(Cn2c3ccccc3oc2=O)no1)[NH+]1CCCCCC1 ZINC000065111686 569180276 /nfs/dbraw/zinc/18/02/76/569180276.db2.gz IGYRUNQXABHSLF-OAHLLOKOSA-N 1 0 413.478 2.410 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)NCc4ccccc4)CC3)cn2)CC1 ZINC000065166753 569188755 /nfs/dbraw/zinc/18/87/55/569188755.db2.gz YXMFHYHOTCNFJT-UHFFFAOYSA-N 1 0 408.550 2.151 50 0 HEAARO C[NH+]1CCC(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2ccccc2F)CC3)CC1 ZINC000065210617 569196320 /nfs/dbraw/zinc/19/63/20/569196320.db2.gz GKRMLOPZMFSHOD-UHFFFAOYSA-N 1 0 417.506 2.401 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c[nH]1 ZINC000007007029 569199925 /nfs/dbraw/zinc/19/99/25/569199925.db2.gz OCEWMXZONCBMND-UHFFFAOYSA-N 1 0 409.483 2.131 50 0 HEAARO O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000170591583 569240581 /nfs/dbraw/zinc/24/05/81/569240581.db2.gz BRAHLKWWJLLQKQ-AWEZNQCLSA-N 1 0 415.291 2.481 50 0 HEAARO C[N@H+](CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C1CC1)C1CC1 ZINC000170606120 569244444 /nfs/dbraw/zinc/24/44/44/569244444.db2.gz ISQXRBWYWJLBNZ-GOSISDBHSA-N 1 0 411.502 2.160 50 0 HEAARO CC[NH+]1CCC(NC(=S)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)CC1 ZINC000013783958 569257610 /nfs/dbraw/zinc/25/76/10/569257610.db2.gz WZWMFJAPESIBJS-UHFFFAOYSA-N 1 0 412.581 2.316 50 0 HEAARO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000252452567 569286387 /nfs/dbraw/zinc/28/63/87/569286387.db2.gz PKKLOVRVTFARJH-KDOFPFPSSA-N 1 0 407.561 2.280 50 0 HEAARO Cc1ccc([C@H](CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)[NH+]2CCCC2)o1 ZINC000252538110 569293202 /nfs/dbraw/zinc/29/32/02/569293202.db2.gz MSBMEALNMAWFCD-YUXAGFNASA-N 1 0 411.502 2.440 50 0 HEAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788206 569310517 /nfs/dbraw/zinc/31/05/17/569310517.db2.gz SHJCDYJTNZJFGC-IYBDPMFKSA-N 1 0 413.971 2.151 50 0 HEAARO O=C(c1ccccn1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819779 569320688 /nfs/dbraw/zinc/32/06/88/569320688.db2.gz KOTOULNNJFSCCB-HXUWFJFHSA-N 1 0 421.545 2.453 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000253414084 569366927 /nfs/dbraw/zinc/36/69/27/569366927.db2.gz WKZMPKKUEWVKAY-SLFFLAALSA-N 1 0 412.534 2.220 50 0 biogenic HEAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000061935564 569386394 /nfs/dbraw/zinc/38/63/94/569386394.db2.gz UQCYHMBLCNISLO-CMCWBKRRSA-N 1 0 417.465 2.435 50 0 HEAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@@]21O ZINC000012661502 569402588 /nfs/dbraw/zinc/40/25/88/569402588.db2.gz NWQKPLHTFSPSHT-OCGYWYMHSA-N 1 0 423.550 2.103 50 0 biogenic HEAARO COCCC[N@H+](C)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000078875236 569421122 /nfs/dbraw/zinc/42/11/22/569421122.db2.gz IXPBIRDAKACRSR-UHFFFAOYSA-N 1 0 423.510 2.325 50 0 HEAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067287055 571064871 /nfs/dbraw/zinc/06/48/71/571064871.db2.gz LNMRRGWCXKMBDO-LJQANCHMSA-N 1 0 418.563 2.217 50 0 HEAARO CC1CC[NH+]([C@@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)CC1 ZINC000040039896 571142309 /nfs/dbraw/zinc/14/23/09/571142309.db2.gz KDAZBDVCQPRDMJ-BBWFWOEESA-N 1 0 401.598 2.465 50 0 HEAARO CN1CC[NH+](CCCCNC(=O)c2ccc(I)cc2)CC1 ZINC000040089145 571159124 /nfs/dbraw/zinc/15/91/24/571159124.db2.gz MVHXREVIKOAOIY-UHFFFAOYSA-N 1 0 401.292 2.049 50 0 HEAARO COCCCN1C(=O)c2ccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2C1=O ZINC000040159737 571205686 /nfs/dbraw/zinc/20/56/86/571205686.db2.gz FRLDZBGZECYOEV-QGZVFWFLSA-N 1 0 415.515 2.413 50 0 HEAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000077104302 571311654 /nfs/dbraw/zinc/31/16/54/571311654.db2.gz XJZATFVOTZDXOJ-UHFFFAOYSA-N 1 0 415.515 2.454 50 0 HEAARO CNC(=O)Cc1noc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)n1 ZINC000494577241 571314435 /nfs/dbraw/zinc/31/44/35/571314435.db2.gz YYALRVCOTYKLNR-MRXNPFEDSA-N 1 0 402.495 2.363 50 0 HEAARO CC(=O)N1CCN(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000022771693 571315452 /nfs/dbraw/zinc/31/54/52/571315452.db2.gz ZQGFQXDNTKRSNS-UHFFFAOYSA-N 1 0 420.557 2.084 50 0 HEAARO COCCO[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C12CCCCC2 ZINC000581802468 1078772395 /nfs/dbraw/zinc/77/23/95/1078772395.db2.gz KPSDMTXPZKXBIS-HXUWFJFHSA-N 1 0 404.555 2.383 50 0 HEAARO COCc1nnc([C@@H]2CC3(CN2C)CCN(C(=O)C[NH+]2CCCCCC2)CC3)o1 ZINC000581802917 1078772492 /nfs/dbraw/zinc/77/24/92/1078772492.db2.gz RCUMQGWCSKWXQC-KRWDZBQOSA-N 1 0 405.543 2.077 50 0 HEAARO C[N@@H+]1CCCN(C(=O)CN2C(=O)[C@@H](Oc3ccc(F)cc3)C23CCCCC3)CC1 ZINC000581803290 1078780039 /nfs/dbraw/zinc/78/00/39/1078780039.db2.gz SSUZETOPZPSCHM-HXUWFJFHSA-N 1 0 403.498 2.282 50 0 HEAARO CNC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@@H+]1C1CCN(Cc2cccc(OC)n2)CC1 ZINC000575550960 1076345076 /nfs/dbraw/zinc/34/50/76/1076345076.db2.gz BEFLDGUTHHVNGT-VXKWHMMOSA-N 1 0 424.545 2.323 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000002227472 132249994 /nfs/dbraw/zinc/24/99/94/132249994.db2.gz GJZQWFUJWDYITH-UXHICEINSA-N 1 0 406.486 2.215 50 0 HEAARO COc1ccc([C@H](CNC(=O)CN2C(=O)COc3ccccc32)[NH+]2CCCC2)cc1 ZINC000008776281 132333218 /nfs/dbraw/zinc/33/32/18/132333218.db2.gz VFJGCFVGXSYFKZ-FQEVSTJZSA-N 1 0 409.486 2.374 50 0 HEAARO Cc1ccc(-c2nnn(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)c(C)c3)n2)cc1 ZINC000012545904 132362856 /nfs/dbraw/zinc/36/28/56/132362856.db2.gz FEUGVLSSOCGOSR-UHFFFAOYSA-N 1 0 405.506 2.347 50 0 HEAARO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012792347 132449172 /nfs/dbraw/zinc/44/91/72/132449172.db2.gz MTOCTDRLAPOAPL-CQSZACIVSA-N 1 0 401.898 2.244 50 0 HEAARO CC(=O)N1CCC[C@H](C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000032915298 519550279 /nfs/dbraw/zinc/55/02/79/519550279.db2.gz MCUKHTCKKNMHIS-NRFANRHFSA-N 1 0 400.567 2.272 50 0 HEAARO CC(C)N1c2ccccc2[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC000040267489 519699549 /nfs/dbraw/zinc/69/95/49/519699549.db2.gz YTTHBHUULYGIOJ-KRWDZBQOSA-N 1 0 400.523 2.024 50 0 HEAARO CC[NH+]1CCC(N2CCO[C@@]3(C2)COCCN(C(=O)c2ccccc2C)C3)CC1 ZINC000072133425 521570652 /nfs/dbraw/zinc/57/06/52/521570652.db2.gz OMLVYMOJVALPQV-HSZRJFAPSA-N 1 0 401.551 2.023 50 0 HEAARO COc1cc(COCC2CC[NH+](CC(=O)NC[C@H]3CCCO3)CC2)cc(OC)c1 ZINC000077191446 522500435 /nfs/dbraw/zinc/50/04/35/522500435.db2.gz UNADZHKCYNHRII-LJQANCHMSA-N 1 0 406.523 2.228 50 0 HEAARO C[N@H+](CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020574771 522773647 /nfs/dbraw/zinc/77/36/47/522773647.db2.gz CXHSEJDISBFVMU-UHFFFAOYSA-N 1 0 418.544 2.299 50 0 HEAARO COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CCN(C(=O)CC2CC2)CC1 ZINC000020201819 523697111 /nfs/dbraw/zinc/69/71/11/523697111.db2.gz KEGKPDRYIOSREL-UHFFFAOYSA-N 1 0 403.523 2.157 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000020559371 523898360 /nfs/dbraw/zinc/89/83/60/523898360.db2.gz LEPFSMZMNYPAON-UHFFFAOYSA-N 1 0 410.497 2.169 50 0 HEAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000045974808 523922227 /nfs/dbraw/zinc/92/22/27/523922227.db2.gz APDMRTJXHSMYNJ-UHFFFAOYSA-N 1 0 415.559 2.180 50 0 HEAARO CCc1ccc([C@H](CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)[NH+](C)C)cc1 ZINC000032734778 524049070 /nfs/dbraw/zinc/04/90/70/524049070.db2.gz UZPRZPDRFUWRTP-IBGZPJMESA-N 1 0 421.501 2.015 50 0 HEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2cc(OC)cc(OC)c2)c1 ZINC000004997970 557622956 /nfs/dbraw/zinc/62/29/56/557622956.db2.gz WWJAPOSQEQQMQW-UHFFFAOYSA-N 1 0 413.474 2.495 50 0 HEAARO COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022795125 557822257 /nfs/dbraw/zinc/82/22/57/557822257.db2.gz AARUJRSMYJBZAV-LJQANCHMSA-N 1 0 421.538 2.410 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)ccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795485 557822796 /nfs/dbraw/zinc/82/27/96/557822796.db2.gz KSFBDUOSDRVIMP-JOCHJYFZSA-N 1 0 424.545 2.355 50 0 HEAARO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796336 557823323 /nfs/dbraw/zinc/82/33/23/557823323.db2.gz BNEOOSRZZIGVNL-NRFANRHFSA-N 1 0 412.509 2.432 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2)[C@H]1CCCO1 ZINC000019741491 558262010 /nfs/dbraw/zinc/26/20/10/558262010.db2.gz OCOMGZYIXHHSQN-OAQYLSRUSA-N 1 0 419.529 2.327 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)cc1OC ZINC000011668217 558269977 /nfs/dbraw/zinc/26/99/77/558269977.db2.gz CLBJVGSQSFZIPN-SFHVURJKSA-N 1 0 419.547 2.426 50 0 HEAARO COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C)n1 ZINC000011783596 558275476 /nfs/dbraw/zinc/27/54/76/558275476.db2.gz PNEGROOKTSOHQW-MRXNPFEDSA-N 1 0 406.490 2.422 50 0 HEAARO CC(=O)c1cc(CC(=O)N2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)cs1 ZINC000011874586 558292292 /nfs/dbraw/zinc/29/22/92/558292292.db2.gz BYTIKYJXQKNBDS-UHFFFAOYSA-N 1 0 417.575 2.475 50 0 HEAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000019840044 558293588 /nfs/dbraw/zinc/29/35/88/558293588.db2.gz LSKDLPFFGQNYGZ-LJQANCHMSA-N 1 0 413.522 2.346 50 0 HEAARO CC(C)C[C@H]([NH2+][C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1)C(N)=O ZINC000011965234 558304028 /nfs/dbraw/zinc/30/40/28/558304028.db2.gz FPPVYHYWMMLBQW-HOCLYGCPSA-N 1 0 409.914 2.439 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)s1 ZINC000020326023 558355666 /nfs/dbraw/zinc/35/56/66/558355666.db2.gz ZIJBJRBLGGDNDY-HNNXBMFYSA-N 1 0 403.552 2.310 50 0 HEAARO CCN1CC[NH+](C2CCN(Cc3nc(-c4ccc(C(=O)OC)cc4)no3)CC2)CC1 ZINC000020453918 558367707 /nfs/dbraw/zinc/36/77/07/558367707.db2.gz GDQBPIATRAEGGE-UHFFFAOYSA-N 1 0 413.522 2.125 50 0 HEAARO Cc1cc(C)n(-c2nc3sc4c(c3c(N3CC[NH+](CCO)CC3)n2)CCCC4)n1 ZINC000020479221 558374699 /nfs/dbraw/zinc/37/46/99/558374699.db2.gz QVXJXWUUDWLYCN-UHFFFAOYSA-N 1 0 412.563 2.487 50 0 HEAARO COc1cccc(OC[C@H](O)C[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn32)c1 ZINC000012430782 558405444 /nfs/dbraw/zinc/40/54/44/558405444.db2.gz GZTWBAOFTVFQOT-QGZVFWFLSA-N 1 0 424.501 2.108 50 0 HEAARO COc1cccc(-c2ccnc(-n3ncc(C(=O)N4CCC[N@H+](C)CC4)c3C)n2)c1 ZINC000012456019 558417367 /nfs/dbraw/zinc/41/73/67/558417367.db2.gz SUFFMUCYJZXFBQ-UHFFFAOYSA-N 1 0 406.490 2.424 50 0 HEAARO O=C(NC[C@H]1COCCO1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012460097 558419190 /nfs/dbraw/zinc/41/91/90/558419190.db2.gz HBOIIWFEWPQGQL-QFIPXVFZSA-N 1 0 411.502 2.270 50 0 HEAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC000020907034 558421354 /nfs/dbraw/zinc/42/13/54/558421354.db2.gz YNDBGNZQESOGFO-MRXNPFEDSA-N 1 0 408.506 2.098 50 0 HEAARO Cc1ccccc1-c1nc(SCC[NH+]2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000004341311 558424966 /nfs/dbraw/zinc/42/49/66/558424966.db2.gz SRXFFGZBDQAZRD-UHFFFAOYSA-N 1 0 411.531 2.191 50 0 HEAARO C[N@H+](CCCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)Cc1ccccc1 ZINC000021108617 558430982 /nfs/dbraw/zinc/43/09/82/558430982.db2.gz PKHQPJQFRPSGMN-UHFFFAOYSA-N 1 0 423.922 2.471 50 0 HEAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC[C@H]3COCCO3)CC2)CC1 ZINC000012581123 558432685 /nfs/dbraw/zinc/43/26/85/558432685.db2.gz XBVSBYCFCUTKPY-QHCPKHFHSA-N 1 0 415.578 2.203 50 0 HEAARO CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@H]2CCCO2)cc1 ZINC000021534823 558440887 /nfs/dbraw/zinc/44/08/87/558440887.db2.gz JWGOWXHGSSSJRH-OAQYLSRUSA-N 1 0 417.550 2.309 50 0 HEAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000012761364 558461159 /nfs/dbraw/zinc/46/11/59/558461159.db2.gz UVILLAMIOAEVQM-LJQANCHMSA-N 1 0 404.530 2.329 50 0 HEAARO COCCn1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1=O ZINC000022619474 558502988 /nfs/dbraw/zinc/50/29/88/558502988.db2.gz DZCMMHBAAXAGMV-GOSISDBHSA-N 1 0 404.898 2.110 50 0 HEAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000013040076 558506597 /nfs/dbraw/zinc/50/65/97/558506597.db2.gz MBBGFARIUFMXIC-ZDUSSCGKSA-N 1 0 409.483 2.374 50 0 HEAARO CCCCN(C(=O)C[NH2+][C@@H](C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013068877 558510644 /nfs/dbraw/zinc/51/06/44/558510644.db2.gz DMXVYRDKAQYXRL-INIZCTEOSA-N 1 0 415.538 2.403 50 0 HEAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCN1CCOCC1 ZINC000022913554 558520461 /nfs/dbraw/zinc/52/04/61/558520461.db2.gz VOOPRKWCLYJLMV-UHFFFAOYSA-N 1 0 407.518 2.028 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551726 558601037 /nfs/dbraw/zinc/60/10/37/558601037.db2.gz MJXCDTOUIOPLSU-IEBWSBKVSA-N 1 0 409.486 2.057 50 0 HEAARO O=C(CCn1nc(-c2cccs2)oc1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000024601210 558602138 /nfs/dbraw/zinc/60/21/38/558602138.db2.gz DJBIEKYIGGCOPD-UHFFFAOYSA-N 1 0 420.535 2.106 50 0 HEAARO C[C@H](C1CC1)[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000024673398 558607243 /nfs/dbraw/zinc/60/72/43/558607243.db2.gz HLEVACHMTBNWDY-QGZVFWFLSA-N 1 0 415.559 2.293 50 0 HEAARO CCOC(=O)C1=C(C[NH+](CC)CC)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1 ZINC000013960831 558608752 /nfs/dbraw/zinc/60/87/52/558608752.db2.gz WXWKSULAGSVHDH-LJQANCHMSA-N 1 0 405.495 2.355 50 0 HEAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024774627 558612440 /nfs/dbraw/zinc/61/24/40/558612440.db2.gz DQBDBICYVJCFKF-QGZVFWFLSA-N 1 0 419.591 2.129 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2C)CC1 ZINC000024970517 558623004 /nfs/dbraw/zinc/62/30/04/558623004.db2.gz DTSDTHGDMBBZOI-WOJBJXKFSA-N 1 0 424.545 2.417 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)N4CCCCCC4)CC3)cn2)CC1 ZINC000065166777 558652811 /nfs/dbraw/zinc/65/28/11/558652811.db2.gz MEZMNAHGAYRMBM-UHFFFAOYSA-N 1 0 400.571 2.238 50 0 HEAARO CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014521726 558655371 /nfs/dbraw/zinc/65/53/71/558655371.db2.gz MQADZPHWAIPKNX-HXUWFJFHSA-N 1 0 401.555 2.493 50 0 HEAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014534310 558657386 /nfs/dbraw/zinc/65/73/86/558657386.db2.gz IDEYLEQNTFOVDQ-UHFFFAOYSA-N 1 0 402.539 2.415 50 0 HEAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000014732007 558665620 /nfs/dbraw/zinc/66/56/20/558665620.db2.gz MKRFSYQHXNAESC-GOSISDBHSA-N 1 0 413.541 2.467 50 0 HEAARO COCCN1C(=O)N(CCc2ccc(OC)cc2)C2(CC[NH+](C(C)C)CC2)C1=O ZINC000014733642 558666387 /nfs/dbraw/zinc/66/63/87/558666387.db2.gz NFRXBEDEXDVSFL-UHFFFAOYSA-N 1 0 403.523 2.391 50 0 HEAARO COc1ccc2cc(C[NH2+]C[C@@H](O)CO)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000014954347 558681856 /nfs/dbraw/zinc/68/18/56/558681856.db2.gz MADLJUGUJXBWRL-QGZVFWFLSA-N 1 0 402.878 2.155 50 0 HEAARO Cc1cccc(N2CC[NH+](C[C@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)n1 ZINC000014980851 558691340 /nfs/dbraw/zinc/69/13/40/558691340.db2.gz LOAUYXLMVPSBLQ-XMMPIXPASA-N 1 0 408.546 2.108 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014995156 558695872 /nfs/dbraw/zinc/69/58/72/558695872.db2.gz WBIVBVUTTXAYNE-LJQANCHMSA-N 1 0 405.568 2.145 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4cccnc4s3)CC2)CC1 ZINC000022937547 558725561 /nfs/dbraw/zinc/72/55/61/558725561.db2.gz UHBKWDWZAUDOQU-UHFFFAOYSA-N 1 0 416.595 2.052 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937717 558726076 /nfs/dbraw/zinc/72/60/76/558726076.db2.gz KYZSZFMSMCYPKX-HSZRJFAPSA-N 1 0 420.557 2.402 50 0 HEAARO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022254 558768168 /nfs/dbraw/zinc/76/81/68/558768168.db2.gz KZZWSFLSIRDUQY-ZOZBEKFXSA-N 1 0 405.495 2.098 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nn2)CC1 ZINC000004583382 558773171 /nfs/dbraw/zinc/77/31/71/558773171.db2.gz LJSHOYCPCQVDKS-UHFFFAOYSA-N 1 0 408.550 2.198 50 0 HEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=S)NC(=O)c2cccs2)c1 ZINC000016189176 558776967 /nfs/dbraw/zinc/77/69/67/558776967.db2.gz UYAFXKGUFVDAGE-UHFFFAOYSA-N 1 0 418.544 2.413 50 0 HEAARO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1 ZINC000035421660 558791115 /nfs/dbraw/zinc/79/11/15/558791115.db2.gz LQAHIZWJXGBQBE-UHFFFAOYSA-N 1 0 422.529 2.152 50 0 HEAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2cccs2)CC1 ZINC000032983110 558804029 /nfs/dbraw/zinc/80/40/29/558804029.db2.gz SITIXVMZQCTNLC-QGZVFWFLSA-N 1 0 412.515 2.481 50 0 HEAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)CC1 ZINC000055042004 558870402 /nfs/dbraw/zinc/87/04/02/558870402.db2.gz YYEVXUIYYZQHQM-IBGZPJMESA-N 1 0 424.545 2.427 50 0 HEAARO CC(C)n1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071681875 558906626 /nfs/dbraw/zinc/90/66/26/558906626.db2.gz PEFXHUUNFKXWIP-GOSISDBHSA-N 1 0 401.555 2.403 50 0 HEAARO CCc1cnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000071747544 558908648 /nfs/dbraw/zinc/90/86/48/558908648.db2.gz DYZVPRMXXCBQSW-HXUWFJFHSA-N 1 0 408.550 2.431 50 0 HEAARO CCn1c(=O)[nH]c2cc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2c1=O ZINC000058218615 558913028 /nfs/dbraw/zinc/91/30/28/558913028.db2.gz ALHFPDLDAJYMNW-GJZGRUSLSA-N 1 0 400.523 2.196 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCC[N@H+](C)Cc3ccccc3)C(=O)CC2)cc1 ZINC000004712556 558917806 /nfs/dbraw/zinc/91/78/06/558917806.db2.gz JWPNICGWCJMRKH-UHFFFAOYSA-N 1 0 408.502 2.270 50 0 HEAARO CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000065362489 558973227 /nfs/dbraw/zinc/97/32/27/558973227.db2.gz WNYUUIWEEZZACN-INIZCTEOSA-N 1 0 409.552 2.160 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000065362525 558973446 /nfs/dbraw/zinc/97/34/46/558973446.db2.gz UNUKVRPNURLURH-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO C[C@H](CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000072437968 558981273 /nfs/dbraw/zinc/98/12/73/558981273.db2.gz MAVHMWRRISREED-GOSISDBHSA-N 1 0 407.580 2.219 50 0 HEAARO Cc1nc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)cc(N(C)C)[nH+]1 ZINC000072441749 558982006 /nfs/dbraw/zinc/98/20/06/558982006.db2.gz FZHDMCTVRKSHEO-UHFFFAOYSA-N 1 0 419.489 2.396 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000067629724 558990288 /nfs/dbraw/zinc/99/02/88/558990288.db2.gz BSLDGAQUTILEBM-UHFFFAOYSA-N 1 0 423.489 2.174 50 0 HEAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 ZINC000067641739 558990661 /nfs/dbraw/zinc/99/06/61/558990661.db2.gz IAPLMDRWCKPEEC-RXVVDRJESA-N 1 0 403.486 2.217 50 0 HEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1coc(COc2cccc3cccnc32)n1 ZINC000067650291 558990729 /nfs/dbraw/zinc/99/07/29/558990729.db2.gz BGYXLUSZJUDHGF-WMZOPIPTSA-N 1 0 408.458 2.395 50 0 HEAARO CC[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077378318 559002871 /nfs/dbraw/zinc/00/28/71/559002871.db2.gz GMIGRRRWYVCAGH-FQEVSTJZSA-N 1 0 413.543 2.450 50 0 HEAARO COc1ccc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000023127492 559015902 /nfs/dbraw/zinc/01/59/02/559015902.db2.gz OXIPDXHOJQLGJZ-UHFFFAOYSA-N 1 0 401.463 2.264 50 0 HEAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(c3nc(CO)cs3)CC2)C1 ZINC000082091902 559037210 /nfs/dbraw/zinc/03/72/10/559037210.db2.gz MYBZRLWUEUKCPX-KRWDZBQOSA-N 1 0 415.563 2.028 50 0 HEAARO CCn1cc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097035 559037598 /nfs/dbraw/zinc/03/75/98/559037598.db2.gz JIPPRPZVBAXZSG-FQEVSTJZSA-N 1 0 410.566 2.291 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082106963 559038219 /nfs/dbraw/zinc/03/82/19/559038219.db2.gz MHNLZAQRNPTSHE-INIZCTEOSA-N 1 0 413.547 2.171 50 0 HEAARO O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082114517 559039076 /nfs/dbraw/zinc/03/90/76/559039076.db2.gz MJOJPBOHRCRELE-HXUWFJFHSA-N 1 0 400.567 2.037 50 0 HEAARO CCC(=O)N1CCCC[C@H](NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000082115972 559039217 /nfs/dbraw/zinc/03/92/17/559039217.db2.gz ONWWLLASCFJNRY-FQEVSTJZSA-N 1 0 400.567 2.414 50 0 HEAARO CC[C@H](C)n1c(C)c(C)n2c3c(nc21)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000008704227 559064511 /nfs/dbraw/zinc/06/45/11/559064511.db2.gz SVOMYBQCZQAKKE-AWEZNQCLSA-N 1 0 400.527 2.223 50 0 HEAARO O=C(NC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091643486 559072601 /nfs/dbraw/zinc/07/26/01/559072601.db2.gz TXTLOVIIYQTKMI-HXUWFJFHSA-N 1 0 400.567 2.179 50 0 HEAARO CCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)c1C ZINC000095509502 559083695 /nfs/dbraw/zinc/08/36/95/559083695.db2.gz KJSFWNOHTBHZNL-GOSISDBHSA-N 1 0 401.555 2.150 50 0 HEAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H]2CCNC2=O)c1 ZINC000095527434 559086219 /nfs/dbraw/zinc/08/62/19/559086219.db2.gz ILWAYWQVLKVRMJ-IBGZPJMESA-N 1 0 401.507 2.099 50 0 HEAARO CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000014245894 559161879 /nfs/dbraw/zinc/16/18/79/559161879.db2.gz HHRWFEOCLGXTFV-JXMROGBWSA-N 1 0 413.543 2.408 50 0 HEAARO COc1cccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)c1 ZINC000004851651 559191229 /nfs/dbraw/zinc/19/12/29/559191229.db2.gz QOJQKEDSWRICJY-UHFFFAOYSA-N 1 0 402.520 2.033 50 0 HEAARO CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000248094038 559262427 /nfs/dbraw/zinc/26/24/27/559262427.db2.gz WNZLJUQGEOKOJG-DZKIICNBSA-N 1 0 407.536 2.357 50 0 biogenic HEAARO O=C(NC(=S)NCCCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000018191263 560781790 /nfs/dbraw/zinc/78/17/90/560781790.db2.gz OGZGLLJZOPEATI-UHFFFAOYSA-N 1 0 400.342 2.166 50 0 HEAARO Cn1cc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)cn1 ZINC000575312909 560855479 /nfs/dbraw/zinc/85/54/79/560855479.db2.gz FFSKDEYUZDYJNB-QFIPXVFZSA-N 1 0 423.561 2.396 50 0 HEAARO Cc1ncoc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000575555318 560855583 /nfs/dbraw/zinc/85/55/83/560855583.db2.gz AHSUNGYLURJURK-IBGZPJMESA-N 1 0 404.555 2.410 50 0 HEAARO Cn1cccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000575317046 560855616 /nfs/dbraw/zinc/85/56/16/560855616.db2.gz QHMBFGHXLCBPHP-HXUWFJFHSA-N 1 0 423.561 2.396 50 0 HEAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000046798259 560878258 /nfs/dbraw/zinc/87/82/58/560878258.db2.gz XTMHJXDSCPSODF-UHFFFAOYSA-N 1 0 408.502 2.434 50 0 HEAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000106905099 560894077 /nfs/dbraw/zinc/89/40/77/560894077.db2.gz YCABGISCFZPBPO-LBHSNNGHSA-N 1 0 417.550 2.241 50 0 HEAARO C[C@H]([NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000108172293 560898357 /nfs/dbraw/zinc/89/83/57/560898357.db2.gz KDBVQFDJKIQBCS-VNTMZGSJSA-N 1 0 411.587 2.491 50 0 HEAARO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048275661 568435491 /nfs/dbraw/zinc/43/54/91/568435491.db2.gz PKKLOVRVTFARJH-KBXCAEBGSA-N 1 0 407.561 2.280 50 0 HEAARO CCCC[N@H+](CC)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839669 568460938 /nfs/dbraw/zinc/46/09/38/568460938.db2.gz NBKOYLUSTQZHFJ-UHFFFAOYSA-N 1 0 404.536 2.226 50 0 HEAARO COc1ccc(NC(=O)c2nnc(C(=O)NCC[C@@H](C)[NH+]3CCCC3)s2)cc1 ZINC000033060204 568510906 /nfs/dbraw/zinc/51/09/06/568510906.db2.gz QLPKLUCCWUOTMM-CYBMUJFWSA-N 1 0 403.508 2.403 50 0 HEAARO C[NH+]1CCN(C[C@@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CCO2)CC1 ZINC000095393099 568604219 /nfs/dbraw/zinc/60/42/19/568604219.db2.gz YAONAPFSWDTXNY-LJQANCHMSA-N 1 0 404.518 2.144 50 0 HEAARO Cc1cccc([S@](=O)Cc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)o2)c1 ZINC000020514520 568622444 /nfs/dbraw/zinc/62/24/44/568622444.db2.gz JFNAVYRGKIIKCG-NDEPHWFRSA-N 1 0 403.548 2.263 50 0 HEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531849 568627499 /nfs/dbraw/zinc/62/74/99/568627499.db2.gz MZSYZWPAKUMPBG-GOSISDBHSA-N 1 0 405.539 2.012 50 0 biogenic HEAARO CC1(C)CC(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC(C)(C)[NH2+]1 ZINC000095477158 568630839 /nfs/dbraw/zinc/63/08/39/568630839.db2.gz HHGHNUNAJNULLK-KRWDZBQOSA-N 1 0 400.523 2.169 50 0 HEAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000020611351 568637000 /nfs/dbraw/zinc/63/70/00/568637000.db2.gz HYEGWQYYXAEAMH-KTIHBUSBSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO C[NH+]1CCN([C@@H](CNC(=O)c2c(F)cccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614273 568637891 /nfs/dbraw/zinc/63/78/91/568637891.db2.gz RUQOIRPIKHMHJM-KRWDZBQOSA-N 1 0 403.429 2.412 50 0 HEAARO C[C@@H](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)[NH+]1CCCCCC1 ZINC000020985046 568655159 /nfs/dbraw/zinc/65/51/59/568655159.db2.gz YVYZEXHWOVMDOM-AWEZNQCLSA-N 1 0 410.565 2.431 50 0 HEAARO COc1cc(C[NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc2c1OCO2 ZINC000095981109 568675362 /nfs/dbraw/zinc/67/53/62/568675362.db2.gz YSJIUISDTNRJSJ-RBUKOAKNSA-N 1 0 409.486 2.112 50 0 HEAARO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000095983265 568675587 /nfs/dbraw/zinc/67/55/87/568675587.db2.gz QHWXWQSNQZDZEK-OAHLLOKOSA-N 1 0 415.625 2.463 50 0 HEAARO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013550 568685498 /nfs/dbraw/zinc/68/54/98/568685498.db2.gz YBXGYLJQLDPEAN-AZUAARDMSA-N 1 0 405.539 2.113 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(-n3c(C)nc4cccnc43)c2)CC1 ZINC000021530201 568710610 /nfs/dbraw/zinc/71/06/10/568710610.db2.gz BGIJRBLYJAWPRN-UHFFFAOYSA-N 1 0 406.534 2.486 50 0 HEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nnn2c1c(=O)[nH]c1ccccc12 ZINC000096397368 568746327 /nfs/dbraw/zinc/74/63/27/568746327.db2.gz WLZPZYAFHZFNNR-UHFFFAOYSA-N 1 0 402.458 2.378 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CC[NH+](C)CC2)cc1 ZINC000022579202 568770363 /nfs/dbraw/zinc/77/03/63/568770363.db2.gz QCLOFFCDCGPWMJ-JOCHJYFZSA-N 1 0 424.545 2.355 50 0 HEAARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582781 568770654 /nfs/dbraw/zinc/77/06/54/568770654.db2.gz HPDSIYNVLKOPEJ-FQEVSTJZSA-N 1 0 410.518 2.047 50 0 HEAARO OCC[NH+](C[C@H](O)Cn1ccc2ccccc21)C[C@H](O)Cn1ccc2ccccc21 ZINC000002707531 568801903 /nfs/dbraw/zinc/80/19/03/568801903.db2.gz FWGHSGUHZNFIPN-VXKWHMMOSA-N 1 0 407.514 2.312 50 0 HEAARO OCCN1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082055728 568819085 /nfs/dbraw/zinc/81/90/85/568819085.db2.gz YROSPBQXYVDYAU-OAQYLSRUSA-N 1 0 406.473 2.042 50 0 HEAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 ZINC000002941227 568819158 /nfs/dbraw/zinc/81/91/58/568819158.db2.gz FWPIJAKCXWYLJB-NRFANRHFSA-N 1 0 420.579 2.241 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc21 ZINC000002942997 568819561 /nfs/dbraw/zinc/81/95/61/568819561.db2.gz NKGIIWYRLUWLAV-UHFFFAOYSA-N 1 0 424.501 2.475 50 0 HEAARO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000230209303 568855003 /nfs/dbraw/zinc/85/50/03/568855003.db2.gz FWRCJYBVEAARJG-SCTDSRPQSA-N 1 0 415.534 2.437 50 0 biogenic HEAARO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH2+]C1CCC(O)CC1 ZINC000012595652 568868950 /nfs/dbraw/zinc/86/89/50/568868950.db2.gz WPDCTKNDCMIHRT-UHFFFAOYSA-N 1 0 421.538 2.152 50 0 HEAARO Cc1ccn(CC[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299760273 568873230 /nfs/dbraw/zinc/87/32/30/568873230.db2.gz IRHRLTNENBIIBT-NRFANRHFSA-N 1 0 416.497 2.101 50 0 HEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000299764007 568873532 /nfs/dbraw/zinc/87/35/32/568873532.db2.gz IVGVPFPCWHXZRL-NRFANRHFSA-N 1 0 418.465 2.182 50 0 HEAARO O=C1CO[C@@H](CNc2cnc3ccccc3n2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299765630 568873829 /nfs/dbraw/zinc/87/38/29/568873829.db2.gz IOGBGIUJMHVWCN-IBGZPJMESA-N 1 0 409.534 2.391 50 0 HEAARO COCCN1C[C@H](C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1=O ZINC000299791152 568875820 /nfs/dbraw/zinc/87/58/20/568875820.db2.gz CRVVCLUPSYLSPB-HNNXBMFYSA-N 1 0 400.441 2.484 50 0 HEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000299795672 568876336 /nfs/dbraw/zinc/87/63/36/568876336.db2.gz MIKCOXNTSODMRO-NRFANRHFSA-N 1 0 416.497 2.183 50 0 HEAARO CN(C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1 ZINC000003328016 568881534 /nfs/dbraw/zinc/88/15/34/568881534.db2.gz GHVFHEQECPVTGG-OAQYLSRUSA-N 1 0 405.498 2.447 50 0 HEAARO COc1ccccc1CCC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670452071 568927149 /nfs/dbraw/zinc/92/71/49/568927149.db2.gz LDAZDLZEDYZQRG-FMGHMSBISA-N 1 0 405.542 2.312 50 0 HEAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@]21O ZINC000004042129 568935860 /nfs/dbraw/zinc/93/58/60/568935860.db2.gz NWQKPLHTFSPSHT-HAEXGWGOSA-N 1 0 423.550 2.103 50 0 biogenic HEAARO CS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004100700 568942612 /nfs/dbraw/zinc/94/26/12/568942612.db2.gz JVEIWDCDPMYZCJ-OAQYLSRUSA-N 1 0 421.607 2.119 50 0 HEAARO Cc1ccccc1N(CC(=O)Nc1ccccc1N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000008025991 568969102 /nfs/dbraw/zinc/96/91/02/568969102.db2.gz XZHDFUMFRMXUDF-UHFFFAOYSA-N 1 0 416.547 2.152 50 0 HEAARO CC(=O)N1CCC([NH2+]Cc2ccc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)CC1 ZINC000012809560 568979970 /nfs/dbraw/zinc/97/99/70/568979970.db2.gz WNZJLAMIAXAHHH-UHFFFAOYSA-N 1 0 405.520 2.297 50 0 HEAARO NC(=O)[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc3cccc(Cl)c32)C1 ZINC000670470917 568998201 /nfs/dbraw/zinc/99/82/01/568998201.db2.gz BJBFNZJOXBXJME-HNNXBMFYSA-N 1 0 409.939 2.359 50 0 HEAARO CN(C)c1cccc(C(=O)N(CCCc2ccccc2)CC(=O)N2CC[NH2+]CC2)c1 ZINC000035243872 569014518 /nfs/dbraw/zinc/01/45/18/569014518.db2.gz ZWUTVSRIBDWWSF-UHFFFAOYSA-N 1 0 408.546 2.259 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1C ZINC000015864190 569016441 /nfs/dbraw/zinc/01/64/41/569016441.db2.gz QSMFTNMXSDIQDO-UHFFFAOYSA-N 1 0 415.559 2.235 50 0 HEAARO COc1ccc(OCC(=O)NCc2c3c(c(OC)c4c2CC[N@H+](C)C4)OCO3)cc1 ZINC000012897901 569020430 /nfs/dbraw/zinc/02/04/30/569020430.db2.gz KUOLBZKWSSLNGT-UHFFFAOYSA-N 1 0 414.458 2.116 50 0 biogenic HEAARO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969560 569025148 /nfs/dbraw/zinc/02/51/48/569025148.db2.gz NRMUVLTVWIKAPL-KTIHBUSBSA-N 1 0 403.482 2.306 50 0 biogenic HEAARO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015969563 569025191 /nfs/dbraw/zinc/02/51/91/569025191.db2.gz NRMUVLTVWIKAPL-PWSZPPJVSA-N 1 0 403.482 2.306 50 0 biogenic HEAARO C[C@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459749 569038158 /nfs/dbraw/zinc/03/81/58/569038158.db2.gz UCAWJXSEHNOEHS-INIZCTEOSA-N 1 0 413.609 2.387 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1csc2ccccc21 ZINC000575620569 569038876 /nfs/dbraw/zinc/03/88/76/569038876.db2.gz LAGGHNHHSYZBPO-KRWDZBQOSA-N 1 0 409.577 2.292 50 0 HEAARO COc1ccc(S(=O)(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000026873817 569059646 /nfs/dbraw/zinc/05/96/46/569059646.db2.gz HHGXUKYMSBKWQY-OAQYLSRUSA-N 1 0 403.548 2.352 50 0 HEAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000089512565 569062160 /nfs/dbraw/zinc/06/21/60/569062160.db2.gz SHMHSAIGIFTFGN-UXHICEINSA-N 1 0 404.580 2.122 50 0 HEAARO C[C@@H](C(=O)N(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1cccn1 ZINC000054363441 569072388 /nfs/dbraw/zinc/07/23/88/569072388.db2.gz CCSXHRNVZOIYLH-INIZCTEOSA-N 1 0 417.941 2.337 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991670 569074691 /nfs/dbraw/zinc/07/46/91/569074691.db2.gz GMSLMMAZBMXEGZ-FQEVSTJZSA-N 1 0 400.523 2.146 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1cccc(F)c1 ZINC000035991634 569074732 /nfs/dbraw/zinc/07/47/32/569074732.db2.gz VQOBOXIWQMKOBT-FQEVSTJZSA-N 1 0 418.513 2.367 50 0 HEAARO O=C(Cn1c(=O)c2cccn2c2cccnc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006797241 569125182 /nfs/dbraw/zinc/12/51/82/569125182.db2.gz LVNOYTYJFLLYEZ-UHFFFAOYSA-N 1 0 415.497 2.430 50 0 HEAARO COc1ccc(-n2cnc3cc(C(=O)NCC[NH+](C)C)ccc3c2=O)cc1Cl ZINC000036358347 569149641 /nfs/dbraw/zinc/14/96/41/569149641.db2.gz AHDSNLMXDAJLLF-UHFFFAOYSA-N 1 0 400.866 2.339 50 0 HEAARO CCC[NH+](CCC)CCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839676 569150385 /nfs/dbraw/zinc/15/03/85/569150385.db2.gz RMZBABLLCFLBMD-UHFFFAOYSA-N 1 0 404.536 2.226 50 0 HEAARO COc1ccc(S(=O)(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000036389856 569165555 /nfs/dbraw/zinc/16/55/55/569165555.db2.gz HHGXUKYMSBKWQY-NRFANRHFSA-N 1 0 403.548 2.352 50 0 HEAARO C[NH+](C)CCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524731840 569212490 /nfs/dbraw/zinc/21/24/90/569212490.db2.gz MFMIUKKQKUPNCA-HNNXBMFYSA-N 1 0 424.453 2.427 50 0 HEAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2cccc3ccccc32)CC1 ZINC000239578990 569235147 /nfs/dbraw/zinc/23/51/47/569235147.db2.gz DDAFNHFXBJEMPI-HXUWFJFHSA-N 1 0 413.562 2.363 50 0 HEAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000170616780 569247543 /nfs/dbraw/zinc/24/75/43/569247543.db2.gz UHSAGZRJQGGJMZ-IPMKNSEASA-N 1 0 401.555 2.231 50 0 HEAARO Cc1nc(COc2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2)no1 ZINC000014521621 569260332 /nfs/dbraw/zinc/26/03/32/569260332.db2.gz GYLHAQZINVUZRV-UHFFFAOYSA-N 1 0 408.462 2.356 50 0 HEAARO O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000252549450 569294042 /nfs/dbraw/zinc/29/40/42/569294042.db2.gz RFOCGFDKDOBFDE-LJQANCHMSA-N 1 0 410.474 2.075 50 0 HEAARO CCCS(=O)(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000581819845 569321028 /nfs/dbraw/zinc/32/10/28/569321028.db2.gz OMCDHLWNJPGAMH-LJQANCHMSA-N 1 0 401.617 2.013 50 0 HEAARO CCN(CC)C(=O)[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1OC(C)=O ZINC000137804425 569359427 /nfs/dbraw/zinc/35/94/27/569359427.db2.gz JSZILQVIPPROJI-CEXWTWQISA-N 1 0 404.507 2.423 50 0 world HEAARO CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Cl ZINC000253405866 569365966 /nfs/dbraw/zinc/36/59/66/569365966.db2.gz SEDHWIKWHDULJV-UHFFFAOYSA-N 1 0 409.939 2.168 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000253412416 569366654 /nfs/dbraw/zinc/36/66/54/569366654.db2.gz QYJMHEORFNFIPU-YTQUADARSA-N 1 0 416.522 2.203 50 0 biogenic HEAARO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(OCCN2CCOCC2)CC1 ZINC000078972786 569422593 /nfs/dbraw/zinc/42/25/93/569422593.db2.gz FNXBHKZKWSKYRN-ZWKOTPCHSA-N 1 0 407.530 2.205 50 0 HEAARO C[C@H]1C[NH+](CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@H](C)O1 ZINC000079064322 569426370 /nfs/dbraw/zinc/42/63/70/569426370.db2.gz NOPHDCGSYIYBMG-ROUUACIJSA-N 1 0 413.522 2.303 50 0 HEAARO Cn1cc(S(=O)(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cc1C(N)=O ZINC000079108140 569427818 /nfs/dbraw/zinc/42/78/18/569427818.db2.gz VSGMOTKBRFEQSJ-UHFFFAOYSA-N 1 0 424.954 2.064 50 0 HEAARO CC[NH+]1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019819894 569430592 /nfs/dbraw/zinc/43/05/92/569430592.db2.gz MOKOSZLQBJIXRW-LJQANCHMSA-N 1 0 417.531 2.072 50 0 HEAARO CCOc1cc([C@@H]2NC(=O)N=C(C[NH+]3CCCCCC3)C2C(=O)OC)ccc1O ZINC000067285651 571064024 /nfs/dbraw/zinc/06/40/24/571064024.db2.gz LWWDKJOMCORCBH-IBGZPJMESA-N 1 0 403.479 2.448 50 0 HEAARO Cn1ccc2c1cccc2C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670473490 571101907 /nfs/dbraw/zinc/10/19/07/571101907.db2.gz HKFIASCYGVXGFG-JXHKIWKSSA-N 1 0 400.526 2.476 50 0 HEAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(NCCc4ccccc4)n3)c(C)n2)CC1 ZINC000039383781 571131723 /nfs/dbraw/zinc/13/17/23/571131723.db2.gz TZQGLGOVULWBIG-UHFFFAOYSA-N 1 0 419.533 2.332 50 0 HEAARO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000040080547 571155841 /nfs/dbraw/zinc/15/58/41/571155841.db2.gz LGHMUFUPTOSVEC-KRWDZBQOSA-N 1 0 415.559 2.307 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000040089508 571159379 /nfs/dbraw/zinc/15/93/79/571159379.db2.gz NIIBLWOZKMYJSZ-IBGZPJMESA-N 1 0 408.974 2.238 50 0 HEAARO CC1(C)CC(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccccc5)C(=O)[C@H]24)O3)CC(C)(C)[NH2+]1 ZINC000009304340 571246402 /nfs/dbraw/zinc/24/64/02/571246402.db2.gz RYLNOWROVHKMPB-XMODTWTHSA-N 1 0 409.530 2.398 50 0 HEAARO Cc1c(C(=O)NCC(F)(F)F)nnn1-c1cccc2c1CC[N@@H+](C1CCOCC1)C2 ZINC000069878029 571248047 /nfs/dbraw/zinc/24/80/47/571248047.db2.gz OKMBCXKQKBQHJL-UHFFFAOYSA-N 1 0 423.439 2.405 50 0 HEAARO COc1cccc([C@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+]2CCCC2)c1 ZINC000009952674 571291585 /nfs/dbraw/zinc/29/15/85/571291585.db2.gz FNARHYOJMMJLGZ-NRFANRHFSA-N 1 0 406.486 2.358 50 0 HEAARO CC(C)[C@@H](CNC(=O)COc1ccc(CC(N)=O)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000071831121 571302614 /nfs/dbraw/zinc/30/26/14/571302614.db2.gz MWYUBTOJYMCNGC-JOCHJYFZSA-N 1 0 409.530 2.292 50 0 HEAARO CNC(=O)Cc1noc(C[N@@H+]2CCCC[C@H]2CCc2ccc(OC)c(OC)c2)n1 ZINC000494577239 571314463 /nfs/dbraw/zinc/31/44/63/571314463.db2.gz YYALRVCOTYKLNR-INIZCTEOSA-N 1 0 402.495 2.363 50 0 HEAARO CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)NCc1ccc3c(c1)OCO3)C[C@H]1CCC[N@@H+]12 ZINC000057992547 571315463 /nfs/dbraw/zinc/31/54/63/571315463.db2.gz JHDICUUHRMEMBU-BUKPSGGLSA-N 1 0 419.481 2.388 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCCc2nc(-c3ccccc3)ncc2C1=O ZINC000581787509 1078760795 /nfs/dbraw/zinc/76/07/95/1078760795.db2.gz NUQRLPFITFVKGQ-GOSISDBHSA-N 1 0 407.518 2.133 50 0 HEAARO Cc1cc(C(F)(F)F)nn1CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801364 1078770970 /nfs/dbraw/zinc/77/09/70/1078770970.db2.gz FIDLCGKZLDXALM-QZTJIDSGSA-N 1 0 423.483 2.389 50 0 HEAARO C[N@@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)NCCc1ccccc1)CC2 ZINC000581802493 1078772196 /nfs/dbraw/zinc/77/21/96/1078772196.db2.gz ITGDHLQYEXJVBT-NRFANRHFSA-N 1 0 400.567 2.057 50 0 HEAARO C[N@@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802671 1078772525 /nfs/dbraw/zinc/77/25/25/1078772525.db2.gz MOILPBIZXCMKSG-FQEVSTJZSA-N 1 0 422.529 2.020 50 0 HEAARO CC(C)[N@@H+]1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1 ZINC000581813329 1078782647 /nfs/dbraw/zinc/78/26/47/1078782647.db2.gz XRZMSIKKYUNEHI-FPOVZHCZSA-N 1 0 418.563 2.361 50 0 HEAARO COc1ccc([C@H](CNC(=O)N2CCN(c3ncccn3)CC2)[NH+]2CCCC2)cc1 ZINC000009606753 132341613 /nfs/dbraw/zinc/34/16/13/132341613.db2.gz BADIPKVBQCSQTJ-FQEVSTJZSA-N 1 0 410.522 2.154 50 0 HEAARO Cc1c(C(=O)N[C@H]2CCOC(C)(C)C2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000012510874 132361160 /nfs/dbraw/zinc/36/11/60/132361160.db2.gz MGJRJUUXGKXCPB-AWEZNQCLSA-N 1 0 403.552 2.439 50 0 HEAARO CC[C@@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CC[N@@H+]1C(C)C ZINC000012752086 132366575 /nfs/dbraw/zinc/36/65/75/132366575.db2.gz MVIBFCPVSVVOMF-LJQANCHMSA-N 1 0 402.539 2.370 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000032974203 521679718 /nfs/dbraw/zinc/67/97/18/521679718.db2.gz BRERBEKAKJGAKO-UHFFFAOYSA-N 1 0 414.594 2.381 50 0 HEAARO CC[NH+]1CCN(CCCNS(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000032916511 521682035 /nfs/dbraw/zinc/68/20/35/521682035.db2.gz XWKKBTMZSSEUIV-UHFFFAOYSA-N 1 0 404.374 2.063 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(N)=O)cc2C)CC1 ZINC000032843061 521698993 /nfs/dbraw/zinc/69/89/93/521698993.db2.gz TWJKJIJUAFGVCS-FQEVSTJZSA-N 1 0 409.534 2.355 50 0 HEAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000045944579 524303369 /nfs/dbraw/zinc/30/33/69/524303369.db2.gz PUUOLZOHSQYWBC-LJQANCHMSA-N 1 0 415.559 2.303 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000032931760 525519716 /nfs/dbraw/zinc/51/97/16/525519716.db2.gz QHLWJFWZGGGMRU-UXHICEINSA-N 1 0 405.564 2.139 50 0 HEAARO COc1cccc(CN2CCC[C@@]3(CCN(c4cc(C)[nH+]c(N)n4)C3)C2=O)c1OC ZINC000072135374 525940565 /nfs/dbraw/zinc/94/05/65/525940565.db2.gz DDIYCXAOPBCRQI-QFIPXVFZSA-N 1 0 411.506 2.404 50 0 HEAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)n1 ZINC000009620923 535521150 /nfs/dbraw/zinc/52/11/50/535521150.db2.gz XQFXWWAPKINVLB-UHFFFAOYSA-N 1 0 405.524 2.045 50 0 HEAARO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)CC1 ZINC000012567125 536424132 /nfs/dbraw/zinc/42/41/32/536424132.db2.gz KWACCRPMMJNLNF-UHFFFAOYSA-N 1 0 403.486 2.347 50 0 HEAARO CCOc1ccccc1OCC[NH2+][C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000001530694 557271465 /nfs/dbraw/zinc/27/14/65/557271465.db2.gz DRHKJLXJIQTDTD-OAHLLOKOSA-N 1 0 408.520 2.341 50 0 fda HEAARO CCOc1cc(C[NH2+]CC(C)C)cc(I)c1OCC(N)=O ZINC000005078327 557634378 /nfs/dbraw/zinc/63/43/78/557634378.db2.gz FRCFEKSWLFXCMV-UHFFFAOYSA-N 1 0 406.264 2.300 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(C)ccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795477 557822853 /nfs/dbraw/zinc/82/28/53/557822853.db2.gz KSFBDUOSDRVIMP-QFIPXVFZSA-N 1 0 424.545 2.355 50 0 HEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011879974 558294715 /nfs/dbraw/zinc/29/47/15/558294715.db2.gz BAHRBXSYQLNTBF-OAQYLSRUSA-N 1 0 417.594 2.255 50 0 HEAARO COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011954534 558303280 /nfs/dbraw/zinc/30/32/80/558303280.db2.gz HMDPGXOMKKIJLR-NRFANRHFSA-N 1 0 400.519 2.365 50 0 HEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCOC1=O ZINC000012298623 558368635 /nfs/dbraw/zinc/36/86/35/558368635.db2.gz DQPGSKDDXCTJGE-IBGZPJMESA-N 1 0 403.523 2.250 50 0 HEAARO CC[C@H](C)C(=O)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012302544 558372448 /nfs/dbraw/zinc/37/24/48/558372448.db2.gz BYXBIOJCJOTNLD-KRWDZBQOSA-N 1 0 417.550 2.305 50 0 HEAARO NC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000020509356 558381929 /nfs/dbraw/zinc/38/19/29/558381929.db2.gz MWMRGONOZSUUKA-OAQYLSRUSA-N 1 0 405.498 2.143 50 0 HEAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020517986 558383059 /nfs/dbraw/zinc/38/30/59/558383059.db2.gz BBJAVEZXMFGKFY-KGYLXKDPSA-N 1 0 407.445 2.402 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439894 558411290 /nfs/dbraw/zinc/41/12/90/558411290.db2.gz NKHIOLJBGQWNFV-QGZVFWFLSA-N 1 0 424.501 2.497 50 0 HEAARO O=C(c1nc2ccccn2c1C[NH+]1CCC(CN2CCCC2=O)CC1)N1CCCC1 ZINC000012443554 558412946 /nfs/dbraw/zinc/41/29/46/558412946.db2.gz LWQNKKXPEZNKND-UHFFFAOYSA-N 1 0 409.534 2.405 50 0 HEAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3csc(C)n3)c2)CC1 ZINC000020782378 558413021 /nfs/dbraw/zinc/41/30/21/558413021.db2.gz VNZZIPLVURRNSP-OAQYLSRUSA-N 1 0 418.607 2.461 50 0 HEAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000012455785 558417125 /nfs/dbraw/zinc/41/71/25/558417125.db2.gz BLDKYLDQQHRXCZ-UHFFFAOYSA-N 1 0 406.914 2.493 50 0 HEAARO Cc1nc(CC[NH2+]Cc2cccc(OC[C@@H](O)CN3CCOCC3)c2)sc1C ZINC000020877520 558419363 /nfs/dbraw/zinc/41/93/63/558419363.db2.gz OSRFZYDZGCEXLX-IBGZPJMESA-N 1 0 405.564 2.164 50 0 HEAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCn4cccn4)c3)CC2)CC1 ZINC000020911586 558422411 /nfs/dbraw/zinc/42/24/11/558422411.db2.gz JDBUUACMJQDLHQ-UHFFFAOYSA-N 1 0 411.550 2.251 50 0 HEAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(Cc3cccc(O)c3)CC2)CC1 ZINC000012714708 558454560 /nfs/dbraw/zinc/45/45/60/558454560.db2.gz GABZKNLAYKTPLS-JOCHJYFZSA-N 1 0 401.551 2.364 50 0 HEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000012748665 558458595 /nfs/dbraw/zinc/45/85/95/558458595.db2.gz OFRCAMZKDNYXRX-JOCHJYFZSA-N 1 0 400.498 2.288 50 0 HEAARO COc1cc(C[NH2+]CCc2ccccc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012755440 558460138 /nfs/dbraw/zinc/46/01/38/558460138.db2.gz PVBJOLSUZJCJEM-JOCHJYFZSA-N 1 0 414.546 2.408 50 0 HEAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000012761371 558461150 /nfs/dbraw/zinc/46/11/50/558461150.db2.gz UVILLAMIOAEVQM-IBGZPJMESA-N 1 0 404.530 2.329 50 0 HEAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000023153317 558539370 /nfs/dbraw/zinc/53/93/70/558539370.db2.gz LJQHUSYTBSKISA-UHFFFAOYSA-N 1 0 419.957 2.234 50 0 HEAARO CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000023240066 558544923 /nfs/dbraw/zinc/54/49/23/558544923.db2.gz HPYULEWSFNSJGW-LEWJYISDSA-N 1 0 419.566 2.313 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023701710 558568510 /nfs/dbraw/zinc/56/85/10/558568510.db2.gz LPOVRDVFHVAXHG-CYBMUJFWSA-N 1 0 405.973 2.109 50 0 HEAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000024774613 558612313 /nfs/dbraw/zinc/61/23/13/558612313.db2.gz DQBDBICYVJCFKF-KRWDZBQOSA-N 1 0 419.591 2.129 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329117 558638084 /nfs/dbraw/zinc/63/80/84/558638084.db2.gz JNGPFHZANKXHDS-WBVHZDCISA-N 1 0 415.515 2.291 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014539983 558659403 /nfs/dbraw/zinc/65/94/03/558659403.db2.gz DEYSIEZDWYTNRL-SFHVURJKSA-N 1 0 412.534 2.074 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccncc1)CC2 ZINC000014540931 558659959 /nfs/dbraw/zinc/65/99/59/558659959.db2.gz FBCABQBPIBSRPG-UHFFFAOYSA-N 1 0 423.517 2.312 50 0 HEAARO NC(=O)COc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000027218013 558671136 /nfs/dbraw/zinc/67/11/36/558671136.db2.gz VQMZDRKEJZRWEI-HXUWFJFHSA-N 1 0 403.910 2.367 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000022936552 558672957 /nfs/dbraw/zinc/67/29/57/558672957.db2.gz UUTBIKBFYRGALT-UHFFFAOYSA-N 1 0 410.497 2.169 50 0 HEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000029097158 558709964 /nfs/dbraw/zinc/70/99/64/558709964.db2.gz RNOGKUOWXCTRED-JOCHJYFZSA-N 1 0 404.518 2.500 50 0 HEAARO CCOC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc(COC)o2)CC3)CC1 ZINC000015068850 558711497 /nfs/dbraw/zinc/71/14/97/558711497.db2.gz OASKRNDGNKXONX-LJQANCHMSA-N 1 0 419.522 2.329 50 0 HEAARO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000029953957 558724746 /nfs/dbraw/zinc/72/47/46/558724746.db2.gz VVMZPQIAMIYVRN-HXUWFJFHSA-N 1 0 401.532 2.468 50 0 HEAARO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000029953959 558724790 /nfs/dbraw/zinc/72/47/90/558724790.db2.gz VVMZPQIAMIYVRN-FQEVSTJZSA-N 1 0 401.532 2.468 50 0 HEAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937664 558725826 /nfs/dbraw/zinc/72/58/26/558725826.db2.gz UKNAWNLYLUONAZ-XMMPIXPASA-N 1 0 420.557 2.288 50 0 HEAARO CCc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000015671255 558748352 /nfs/dbraw/zinc/74/83/52/558748352.db2.gz RMCNYEVCNWASAC-UHFFFAOYSA-N 1 0 415.563 2.459 50 0 HEAARO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000072304588 558757034 /nfs/dbraw/zinc/75/70/34/558757034.db2.gz VBDDQIJFUIXDHB-UHFFFAOYSA-N 1 0 423.521 2.073 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[nH+]1 ZINC000033326821 558766930 /nfs/dbraw/zinc/76/69/30/558766930.db2.gz MEKIZSGHAKZSPT-UHFFFAOYSA-N 1 0 418.448 2.254 50 0 HEAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022216 558768152 /nfs/dbraw/zinc/76/81/52/558768152.db2.gz FSDWEORXXPPLQB-FVJVTNMWSA-N 1 0 419.481 2.154 50 0 HEAARO O=C(CN1C[C@@H](O)[C@H]([NH+]2CCCC2)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000072308557 558769743 /nfs/dbraw/zinc/76/97/43/558769743.db2.gz CHJKWUIGTDHSGX-FGZHOGPDSA-N 1 0 413.587 2.460 50 0 HEAARO Cc1cnc(C(=O)N(CCC(=O)NCCc2ccccc2)CC[NH+]2CCCCC2)cn1 ZINC000004589006 558788843 /nfs/dbraw/zinc/78/88/43/558788843.db2.gz MALCNPGFLAMBMX-UHFFFAOYSA-N 1 0 423.561 2.462 50 0 HEAARO Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cnc12 ZINC000016470116 558792916 /nfs/dbraw/zinc/79/29/16/558792916.db2.gz CGWCIPLDRANCHO-UHFFFAOYSA-N 1 0 405.502 2.486 50 0 HEAARO Cc1c(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000039362424 558820438 /nfs/dbraw/zinc/82/04/38/558820438.db2.gz MKQIRPYCIAOCBR-OAQYLSRUSA-N 1 0 400.567 2.399 50 0 HEAARO CCCC(=O)Nc1ccc(C)n(CC(=O)N2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000097938281 558824642 /nfs/dbraw/zinc/82/46/42/558824642.db2.gz YOPPJNQDOZBBJW-UHFFFAOYSA-N 1 0 402.539 2.372 50 0 HEAARO CN(Cc1cnc(S(C)(=O)=O)n1C[C@H]1CCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019227542 558852746 /nfs/dbraw/zinc/85/27/46/558852746.db2.gz ZYFURVOUYHPDSM-QGZVFWFLSA-N 1 0 412.600 2.207 50 0 HEAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000033034194 558858352 /nfs/dbraw/zinc/85/83/52/558858352.db2.gz IMNZXSOFRLUDIB-UHFFFAOYSA-N 1 0 416.547 2.345 50 0 HEAARO Cc1cc(CNC(=O)C2CC[NH+](C3CCN(Cc4cccc(C)n4)CC3)CC2)nn1C ZINC000055107958 558872885 /nfs/dbraw/zinc/87/28/85/558872885.db2.gz UDRBCEGTTQCLFI-UHFFFAOYSA-N 1 0 424.593 2.425 50 0 HEAARO O=C(c1coc(CN2CCN(C/C=C/c3ccccc3)CC2)n1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071404004 558897364 /nfs/dbraw/zinc/89/73/64/558897364.db2.gz OUHDTECUPCQQBR-SJDASUONSA-N 1 0 421.545 2.082 50 0 HEAARO Cc1ccc(N2N=C(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)NCC2=O)cc1 ZINC000058167742 558907488 /nfs/dbraw/zinc/90/74/88/558907488.db2.gz POODIPDNANDYKW-GOSISDBHSA-N 1 0 409.490 2.181 50 0 HEAARO O=C(c1cn2ccsc2n1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748516 558908611 /nfs/dbraw/zinc/90/86/11/558908611.db2.gz FJUOOVULURWENQ-INIZCTEOSA-N 1 0 415.563 2.335 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071764548 558910672 /nfs/dbraw/zinc/91/06/72/558910672.db2.gz JBMOJLNVVKIUDM-KRWDZBQOSA-N 1 0 419.533 2.350 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)C(=O)CC2)cc1 ZINC000004712559 558917716 /nfs/dbraw/zinc/91/77/16/558917716.db2.gz AJEKBBMWTOYONQ-QGZVFWFLSA-N 1 0 400.523 2.402 50 0 HEAARO O=C(NCCC[NH+]1CCCC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000004712744 558917939 /nfs/dbraw/zinc/91/79/39/558917939.db2.gz JWPPYGVWFAJEOL-UHFFFAOYSA-N 1 0 407.580 2.373 50 0 HEAARO Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCC[NH+]3CCCC3)CC2)cc1 ZINC000004712738 558917954 /nfs/dbraw/zinc/91/79/54/558917954.db2.gz SDNPRYBZFHGKBO-UHFFFAOYSA-N 1 0 407.580 2.292 50 0 HEAARO COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000058377680 558922719 /nfs/dbraw/zinc/92/27/19/558922719.db2.gz OUXZRTGXTOOWFE-SFHVURJKSA-N 1 0 402.495 2.072 50 0 HEAARO COc1ccc(S(=O)(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)cc1 ZINC000072119173 558927946 /nfs/dbraw/zinc/92/79/46/558927946.db2.gz OVDIOZPSPYOCME-UHFFFAOYSA-N 1 0 405.524 2.174 50 0 HEAARO O=C(NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000061239029 558944973 /nfs/dbraw/zinc/94/49/73/558944973.db2.gz OCOHHXOOBMATPO-UHFFFAOYSA-N 1 0 413.971 2.343 50 0 HEAARO COc1ccc(NC(=O)c2nnc(C(=O)NCCC[NH+]3CCCCC3)s2)cc1 ZINC000033060159 558954478 /nfs/dbraw/zinc/95/44/78/558954478.db2.gz PQPCTAMVPWFUSN-UHFFFAOYSA-N 1 0 403.508 2.405 50 0 HEAARO CCNc1nc(N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)cc(C)[nH+]1 ZINC000064800458 558966051 /nfs/dbraw/zinc/96/60/51/558966051.db2.gz OGIGMUHMNAVBQZ-UHFFFAOYSA-N 1 0 405.524 2.126 50 0 HEAARO CCNc1cc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)nc(C)[nH+]1 ZINC000065362309 558972964 /nfs/dbraw/zinc/97/29/64/558972964.db2.gz JFYFWAPIXNXYRD-UHFFFAOYSA-N 1 0 405.524 2.045 50 0 HEAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NC[C@@H]3CCC[N@@H+]3CC)n2C)c1 ZINC000021943272 558979654 /nfs/dbraw/zinc/97/96/54/558979654.db2.gz WOGWXWKSAZBGTM-KRWDZBQOSA-N 1 0 420.579 2.423 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[C@H](C)[NH+]3CCCC3)C2)cc1 ZINC000072446941 558982647 /nfs/dbraw/zinc/98/26/47/558982647.db2.gz UXCTVYTWFLYPFN-ROUUACIJSA-N 1 0 423.579 2.087 50 0 HEAARO Cc1ccccc1C(=O)N1CCC2(CN(CCN3CC[C@@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000072475095 558983726 /nfs/dbraw/zinc/98/37/26/558983726.db2.gz GINJDWXKPPEPOQ-LJQANCHMSA-N 1 0 414.550 2.058 50 0 HEAARO Cc1nnc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082096750 559037344 /nfs/dbraw/zinc/03/73/44/559037344.db2.gz UMLRCDRBQBJVDX-HXUWFJFHSA-N 1 0 411.550 2.413 50 0 HEAARO CSCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082120452 559039328 /nfs/dbraw/zinc/03/93/28/559039328.db2.gz SAIGYEKCSHIFEB-QGZVFWFLSA-N 1 0 404.580 2.154 50 0 HEAARO CSCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082120950 559039591 /nfs/dbraw/zinc/03/95/91/559039591.db2.gz BKSFYWOMIKMATO-GOSISDBHSA-N 1 0 404.580 2.154 50 0 HEAARO COc1cccc(S(=O)(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c1 ZINC000082230214 559042550 /nfs/dbraw/zinc/04/25/50/559042550.db2.gz NIBZOLSRLSXADS-UHFFFAOYSA-N 1 0 405.524 2.174 50 0 HEAARO COc1ccc(C(=O)NCCc2ncnn2C)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095519641 559084837 /nfs/dbraw/zinc/08/48/37/559084837.db2.gz YUINQJCFHPULFI-UHFFFAOYSA-N 1 0 401.511 2.048 50 0 HEAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000023321651 559127044 /nfs/dbraw/zinc/12/70/44/559127044.db2.gz DXZRYBWLZKMRED-QGZVFWFLSA-N 1 0 408.506 2.422 50 0 HEAARO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000101163661 559143686 /nfs/dbraw/zinc/14/36/86/559143686.db2.gz AEORPUMGHKMWSD-LJQANCHMSA-N 1 0 413.424 2.491 50 0 HEAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000004941711 559213836 /nfs/dbraw/zinc/21/38/36/559213836.db2.gz NGCOMVDTCQUWBB-UHFFFAOYSA-N 1 0 405.499 2.155 50 0 HEAARO Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)NCCC[NH+]1CCCC1 ZINC000005058395 559238591 /nfs/dbraw/zinc/23/85/91/559238591.db2.gz HJKAPOAYQGAKGS-UHFFFAOYSA-N 1 0 419.547 2.475 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409415009 560723443 /nfs/dbraw/zinc/72/34/43/560723443.db2.gz QYJMHEORFNFIPU-QXAKKESOSA-N 1 0 416.522 2.203 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCC(Cn2cnnn2)CC1 ZINC000583652722 560779450 /nfs/dbraw/zinc/77/94/50/560779450.db2.gz WSHZHCSWFTULAL-JSRAGOMMSA-N 1 0 418.586 2.219 50 0 HEAARO COc1ccc(CCNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000101703779 560798463 /nfs/dbraw/zinc/79/84/63/560798463.db2.gz CHLFZDKRBVRAFD-UHFFFAOYSA-N 1 0 405.498 2.268 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]CCCN1CCOCC1)C[C@@H](C)CC2 ZINC000004747896 560871972 /nfs/dbraw/zinc/87/19/72/560871972.db2.gz FOKPXPKMTXIUFB-HNNXBMFYSA-N 1 0 423.579 2.300 50 0 HEAARO O=C1C=C(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccccc1 ZINC000025183382 560891316 /nfs/dbraw/zinc/89/13/16/560891316.db2.gz CUMYOGKBADRHNN-UHFFFAOYSA-N 1 0 408.477 2.385 50 0 HEAARO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000108503114 568418970 /nfs/dbraw/zinc/41/89/70/568418970.db2.gz CRRZLVCTTOYNLO-AABGKKOBSA-N 1 0 402.587 2.004 50 0 HEAARO COCCn1nc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)ccc1=O ZINC000048310385 568436662 /nfs/dbraw/zinc/43/66/62/568436662.db2.gz LJLPUPDRWIFLGK-ROUUACIJSA-N 1 0 412.534 2.298 50 0 HEAARO O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000048300025 568437289 /nfs/dbraw/zinc/43/72/89/568437289.db2.gz PTNJPCIQRHHZPL-KRWDZBQOSA-N 1 0 404.308 2.392 50 0 HEAARO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000048300073 568437328 /nfs/dbraw/zinc/43/73/28/568437328.db2.gz VQYHYDPFCVMYCJ-UHFFFAOYSA-N 1 0 405.495 2.463 50 0 HEAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccccc1O2 ZINC000048302779 568437835 /nfs/dbraw/zinc/43/78/35/568437835.db2.gz RIIFGWALZMXAOB-GOSISDBHSA-N 1 0 404.474 2.380 50 0 HEAARO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000048325949 568438827 /nfs/dbraw/zinc/43/88/27/568438827.db2.gz QOODKMAVZLNLSA-ICSRJNTNSA-N 1 0 407.580 2.468 50 0 HEAARO COc1ccc(CNC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000049400732 568447544 /nfs/dbraw/zinc/44/75/44/568447544.db2.gz SKTRYEWJXHPLND-UHFFFAOYSA-N 1 0 418.497 2.127 50 0 HEAARO CCOC(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC[NH+](C)C ZINC000006759801 568458664 /nfs/dbraw/zinc/45/86/64/568458664.db2.gz SMFQTFKCKHWGGG-UHFFFAOYSA-N 1 0 415.515 2.320 50 0 HEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012296523 568462658 /nfs/dbraw/zinc/46/26/58/568462658.db2.gz QTLPGCJEUOKZQE-PZJWPPBQSA-N 1 0 419.591 2.468 50 0 biogenic HEAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)CC1 ZINC000000819245 568496835 /nfs/dbraw/zinc/49/68/35/568496835.db2.gz OUXDISCYRNQQCX-UHFFFAOYSA-N 1 0 405.539 2.089 50 0 HEAARO O=C(N[C@@H](c1ncon1)c1ccc(F)c(F)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000222053815 568513948 /nfs/dbraw/zinc/51/39/48/568513948.db2.gz HKJAPJKNXVFFGQ-RTBURBONSA-N 1 0 414.412 2.454 50 0 HEAARO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000039726267 568601079 /nfs/dbraw/zinc/60/10/79/568601079.db2.gz OSOFZWWYBNQPNO-INIZCTEOSA-N 1 0 415.538 2.115 50 0 HEAARO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000095408117 568606383 /nfs/dbraw/zinc/60/63/83/568606383.db2.gz YKDBDFWUFUKFFO-MRXNPFEDSA-N 1 0 408.518 2.219 50 0 HEAARO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000095463202 568621781 /nfs/dbraw/zinc/62/17/81/568621781.db2.gz YXGUQOYTOFEZDC-CYBMUJFWSA-N 1 0 408.296 2.409 50 0 HEAARO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000020531896 568627570 /nfs/dbraw/zinc/62/75/70/568627570.db2.gz PZGBJWWNDFLXTH-MRXNPFEDSA-N 1 0 421.538 2.232 50 0 biogenic HEAARO Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)NCCN3CC[NH+](C)CC3)c12 ZINC000020943299 568652951 /nfs/dbraw/zinc/65/29/51/568652951.db2.gz HYPSURXXVAFZMK-UHFFFAOYSA-N 1 0 410.497 2.154 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000020953513 568653696 /nfs/dbraw/zinc/65/36/96/568653696.db2.gz HMBJDWSPLWIFCN-GOSISDBHSA-N 1 0 409.577 2.332 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000020953517 568653719 /nfs/dbraw/zinc/65/37/19/568653719.db2.gz HMBJDWSPLWIFCN-SFHVURJKSA-N 1 0 409.577 2.332 50 0 HEAARO C[NH+](C)Cc1ccc(N2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)nc1 ZINC000095959741 568669894 /nfs/dbraw/zinc/66/98/94/568669894.db2.gz ICCYYJAFXPBXKG-UHFFFAOYSA-N 1 0 404.518 2.220 50 0 HEAARO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)ccc21 ZINC000095963640 568670407 /nfs/dbraw/zinc/67/04/07/568670407.db2.gz DTSNZJOOFFPBJX-LJQANCHMSA-N 1 0 401.532 2.047 50 0 HEAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000012420280 568720413 /nfs/dbraw/zinc/72/04/13/568720413.db2.gz OSVLEGSQOQWGGI-IBGZPJMESA-N 1 0 416.518 2.412 50 0 HEAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2)c1N ZINC000021652084 568730036 /nfs/dbraw/zinc/73/00/36/568730036.db2.gz NDBJNIPHHXUXAN-MRXNPFEDSA-N 1 0 413.522 2.483 50 0 HEAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000240668480 568730394 /nfs/dbraw/zinc/73/03/94/568730394.db2.gz HNBOYYXZZOXPIQ-XIRDDKMYSA-N 1 0 423.355 2.367 50 0 HEAARO Cc1ccc(-n2c3ncccc3n(CC(=O)NCC[N@H+]3CCCC[C@@H]3C)c2=O)cc1 ZINC000096385609 568742037 /nfs/dbraw/zinc/74/20/37/568742037.db2.gz IBHWPCRIIMLYHA-SFHVURJKSA-N 1 0 407.518 2.486 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021781583 568752656 /nfs/dbraw/zinc/75/26/56/568752656.db2.gz JRGNBQVWCQJQFQ-UHFFFAOYSA-N 1 0 413.497 2.284 50 0 HEAARO CC(C)c1cnc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc1 ZINC000299766583 568873781 /nfs/dbraw/zinc/87/37/81/568873781.db2.gz KDTSQCIPYRKKIQ-FQEVSTJZSA-N 1 0 401.555 2.361 50 0 HEAARO CN(Cc1nnc(SCC[NH+]2CCCC2)n1C)Cc1ccc2c(c1)OCCO2 ZINC000299770396 568874124 /nfs/dbraw/zinc/87/41/24/568874124.db2.gz SAUDWESRGFRXGL-UHFFFAOYSA-N 1 0 403.552 2.406 50 0 HEAARO Cc1ccc(C)c(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299782952 568875262 /nfs/dbraw/zinc/87/52/62/568875262.db2.gz TXEJQRYGZOTWHA-NRFANRHFSA-N 1 0 413.562 2.383 50 0 HEAARO Cc1cccc(NC(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299792487 568876082 /nfs/dbraw/zinc/87/60/82/568876082.db2.gz FWULQMGDYYYCOG-NRFANRHFSA-N 1 0 414.550 2.466 50 0 HEAARO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003408083 568897467 /nfs/dbraw/zinc/89/74/67/568897467.db2.gz QPACDHJSPZUZEA-GOSISDBHSA-N 1 0 409.939 2.380 50 0 HEAARO Cc1ccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCC(C)C)CC2)cc1 ZINC000004316451 568962020 /nfs/dbraw/zinc/96/20/20/568962020.db2.gz UERJTQNAHOCGTQ-UHFFFAOYSA-N 1 0 424.549 2.100 50 0 HEAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@@H]4CCC[N@H+]4CC)nc(C)n3n2)cc1 ZINC000015672118 568962595 /nfs/dbraw/zinc/96/25/95/568962595.db2.gz LEDYDUANPYAHMT-IBGZPJMESA-N 1 0 422.533 2.029 50 0 HEAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000008129110 568974924 /nfs/dbraw/zinc/97/49/24/568974924.db2.gz XXVWULKLUBAEAB-AWEZNQCLSA-N 1 0 415.515 2.272 50 0 HEAARO CCn1c2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2[nH]c(=O)c1=O ZINC000008216390 568982953 /nfs/dbraw/zinc/98/29/53/568982953.db2.gz RDGBXLSIIMHXKF-UHFFFAOYSA-N 1 0 406.486 2.236 50 0 HEAARO COc1ccc([C@H](CNC(=O)Cc2n[nH]c(=O)c3ccccc23)[NH+]2CCCC2)cc1 ZINC000008231038 568984060 /nfs/dbraw/zinc/98/40/60/568984060.db2.gz IJAJVQPHWPSIBU-NRFANRHFSA-N 1 0 406.486 2.428 50 0 HEAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH+]1 ZINC000017012902 569005136 /nfs/dbraw/zinc/00/51/36/569005136.db2.gz UBMPWEVRONQJPA-UHFFFAOYSA-N 1 0 401.536 2.286 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000015786773 569007646 /nfs/dbraw/zinc/00/76/46/569007646.db2.gz HLFIKBMJTAKXNI-HNNXBMFYSA-N 1 0 406.508 2.038 50 0 HEAARO COc1ccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@H]2CCO)c(F)c1 ZINC000105902748 569009192 /nfs/dbraw/zinc/00/91/92/569009192.db2.gz VDFRHWDFVBBTFB-HXUWFJFHSA-N 1 0 418.509 2.274 50 0 HEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583652903 569009359 /nfs/dbraw/zinc/00/93/59/569009359.db2.gz SKWVAMXOLBQJSB-RTWAWAEBSA-N 1 0 415.582 2.433 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000015825164 569011383 /nfs/dbraw/zinc/01/13/83/569011383.db2.gz XOTLHXCUHNXMLC-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO CC(C)c1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000015864184 569016395 /nfs/dbraw/zinc/01/63/95/569016395.db2.gz SJAHIYCBGGUEKV-UHFFFAOYSA-N 1 0 415.559 2.433 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000012922111 569023113 /nfs/dbraw/zinc/02/31/13/569023113.db2.gz QXIBIJYALAVCSW-IBGZPJMESA-N 1 0 401.532 2.030 50 0 HEAARO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000032987898 569047884 /nfs/dbraw/zinc/04/78/84/569047884.db2.gz SAXFXRLTODRJIS-HYGBKTPJSA-N 1 0 411.546 2.262 50 0 HEAARO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)C2=O ZINC000239672608 569054466 /nfs/dbraw/zinc/05/44/66/569054466.db2.gz BUBQRGONOBVTEE-VLMPBXDWSA-N 1 0 404.555 2.066 50 0 HEAARO COc1ccccc1CNC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035876577 569064334 /nfs/dbraw/zinc/06/43/34/569064334.db2.gz COFHDYXNRIXPGR-OAQYLSRUSA-N 1 0 407.514 2.265 50 0 HEAARO COc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)C(C)C)c(OC)c1 ZINC000036083009 569087403 /nfs/dbraw/zinc/08/74/03/569087403.db2.gz TVXYROJGSNYLGC-UHFFFAOYSA-N 1 0 404.511 2.394 50 0 HEAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COC(C)(C)C)cc1OC ZINC000036095591 569089822 /nfs/dbraw/zinc/08/98/22/569089822.db2.gz CAINMOMNRPFSGL-IBGZPJMESA-N 1 0 410.555 2.014 50 0 HEAARO CCNc1nc(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3C)CC2)cc(C)[nH+]1 ZINC000064800692 569097380 /nfs/dbraw/zinc/09/73/80/569097380.db2.gz KXORTXLOXYDRKV-UHFFFAOYSA-N 1 0 419.551 2.353 50 0 HEAARO Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)NCC[NH+]3CCCC3)CC2)s1 ZINC000006806119 569130867 /nfs/dbraw/zinc/13/08/67/569130867.db2.gz WZPBOAVGRICYES-UHFFFAOYSA-N 1 0 402.568 2.374 50 0 HEAARO Nc1cc(N)[nH+]c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000006821884 569140870 /nfs/dbraw/zinc/14/08/70/569140870.db2.gz KRLBNTGFGXNKCS-ZDUSSCGKSA-N 1 0 401.492 2.258 50 0 HEAARO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000036394772 569168537 /nfs/dbraw/zinc/16/85/37/569168537.db2.gz QKMUCZJGBINJLU-AWEZNQCLSA-N 1 0 415.968 2.441 50 0 HEAARO CCC[NH+]1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274568 569215258 /nfs/dbraw/zinc/21/52/58/569215258.db2.gz GKYAGHXIYHMPGE-UHFFFAOYSA-N 1 0 406.534 2.462 50 0 HEAARO C[NH+](C)CCNC(=O)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1 ZINC000065272133 569215556 /nfs/dbraw/zinc/21/55/56/569215556.db2.gz JKECAEINRUJQEP-UHFFFAOYSA-N 1 0 411.535 2.043 50 0 HEAARO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000170597462 569242124 /nfs/dbraw/zinc/24/21/24/569242124.db2.gz UHIRYFKLLCIKNV-LJQANCHMSA-N 1 0 411.502 2.418 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007525144 569245781 /nfs/dbraw/zinc/24/57/81/569245781.db2.gz TUAXLNXIWYVBQZ-AWEZNQCLSA-N 1 0 417.934 2.186 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000013691747 569257313 /nfs/dbraw/zinc/25/73/13/569257313.db2.gz WDKZIRCIAYUKBA-ACBHZAAOSA-N 1 0 407.580 2.372 50 0 HEAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)c(OC)c1 ZINC000017012387 569271609 /nfs/dbraw/zinc/27/16/09/569271609.db2.gz DKCYOISJYNBMNP-UHFFFAOYSA-N 1 0 411.506 2.365 50 0 HEAARO Cn1nccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819874 569320903 /nfs/dbraw/zinc/32/09/03/569320903.db2.gz PJFMSDRNDVIJQQ-NRFANRHFSA-N 1 0 423.561 2.396 50 0 HEAARO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000040080549 571155801 /nfs/dbraw/zinc/15/58/01/571155801.db2.gz LGHMUFUPTOSVEC-QGZVFWFLSA-N 1 0 415.559 2.307 50 0 HEAARO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000040154238 571201408 /nfs/dbraw/zinc/20/14/08/571201408.db2.gz SSQNWPPTKHPCNA-SFHVURJKSA-N 1 0 407.561 2.281 50 0 HEAARO Cn1c2cn(CCC[NH+](C)C)c(-c3ccccc3Br)c2c(=O)n(C)c1=O ZINC000009216250 571237437 /nfs/dbraw/zinc/23/74/37/571237437.db2.gz MFHWDYABTFSNHM-UHFFFAOYSA-N 1 0 419.323 2.420 50 0 HEAARO Cn1c2cn(CCC[NH+](C)C)c(-c3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000009419741 571256699 /nfs/dbraw/zinc/25/66/99/571256699.db2.gz FAEBWASZTGIKQE-UHFFFAOYSA-N 1 0 419.323 2.420 50 0 HEAARO O=C(CCc1nnc2ccc(NCc3ccccc3)nn21)NCCC[NH+]1CCCC1 ZINC000009743313 571283699 /nfs/dbraw/zinc/28/36/99/571283699.db2.gz JQMCGHRTHHZMRE-UHFFFAOYSA-N 1 0 407.522 2.271 50 0 HEAARO O=C(CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC000581774438 1078748437 /nfs/dbraw/zinc/74/84/37/1078748437.db2.gz VBDLABJXXQZLRE-IBGZPJMESA-N 1 0 407.580 2.470 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)CCc2nc([C@@H]3CCCN3C(=O)NC(C)C)no2)CC1 ZINC000581786693 1078766676 /nfs/dbraw/zinc/76/66/76/1078766676.db2.gz ZCIIFIKYCXOZJN-KRWDZBQOSA-N 1 0 420.558 2.057 50 0 HEAARO Cn1cnc(S(=O)(=O)N2CCC([N@@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)c1 ZINC000575317157 1076231589 /nfs/dbraw/zinc/23/15/89/1076231589.db2.gz CRLHGRHMVCNFTE-IBGZPJMESA-N 1 0 422.595 2.387 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009340428 132338761 /nfs/dbraw/zinc/33/87/61/132338761.db2.gz TXRKAMCNDJYMPL-UXHICEINSA-N 1 0 424.476 2.354 50 0 HEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000011853364 132351340 /nfs/dbraw/zinc/35/13/40/132351340.db2.gz IRLDHNCIXDLTHZ-HXUWFJFHSA-N 1 0 406.530 2.368 50 0 HEAARO CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012243892 132357703 /nfs/dbraw/zinc/35/77/03/132357703.db2.gz JQZKGZOHGYEFLD-SFHVURJKSA-N 1 0 410.584 2.421 50 0 HEAARO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012437375 132359982 /nfs/dbraw/zinc/35/99/82/132359982.db2.gz LBMOWEZVTCXNDJ-IBGZPJMESA-N 1 0 404.942 2.122 50 0 HEAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020565851 518706830 /nfs/dbraw/zinc/70/68/30/518706830.db2.gz FSDWEORXXPPLQB-UAKAABGRSA-N 1 0 419.481 2.154 50 0 HEAARO CCC[NH+]1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023310376 519859514 /nfs/dbraw/zinc/85/95/14/519859514.db2.gz CVVXKGSSDZJBKS-GOSISDBHSA-N 1 0 413.541 2.374 50 0 HEAARO CC[NH+](CC)CCNCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000022877291 520688077 /nfs/dbraw/zinc/68/80/77/520688077.db2.gz NZBLQHKOOABDOX-UHFFFAOYSA-N 1 0 410.584 2.040 50 0 HEAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000020028749 521367823 /nfs/dbraw/zinc/36/78/23/521367823.db2.gz SVCICTNIEJTBNL-CQSZACIVSA-N 1 0 402.495 2.318 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766388 523918334 /nfs/dbraw/zinc/91/83/34/523918334.db2.gz UWGDEAZMGNKUQB-KRWDZBQOSA-N 1 0 406.939 2.445 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCC2)c(C)c1 ZINC000045974547 524314357 /nfs/dbraw/zinc/31/43/57/524314357.db2.gz BDVXODVHCLHKOB-UHFFFAOYSA-N 1 0 407.580 2.367 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc1C ZINC000045944288 524314436 /nfs/dbraw/zinc/31/44/36/524314436.db2.gz SSHLCLUPPCVGJS-UHFFFAOYSA-N 1 0 409.596 2.471 50 0 HEAARO Cc1ccc(C[N@H+]2CCCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)CC2)cc1 ZINC000032964504 524446538 /nfs/dbraw/zinc/44/65/38/524446538.db2.gz URLGBJLJLSVHSC-LJQANCHMSA-N 1 0 419.529 2.368 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022766398 525006041 /nfs/dbraw/zinc/00/60/41/525006041.db2.gz MBAQENQYUWQUBU-LJQANCHMSA-N 1 0 400.548 2.408 50 0 HEAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1ccc(F)cc1 ZINC000044901947 527415375 /nfs/dbraw/zinc/41/53/75/527415375.db2.gz NQWWPFJEMBXRGC-UHFFFAOYSA-N 1 0 421.476 2.343 50 0 HEAARO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1 ZINC000034668045 557361391 /nfs/dbraw/zinc/36/13/91/557361391.db2.gz VANBRZLBIGKXAI-GOSISDBHSA-N 1 0 418.563 2.232 50 0 HEAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC([N@@H+]2CCC[C@H](C)C2)CC1 ZINC000022640035 557490092 /nfs/dbraw/zinc/49/00/92/557490092.db2.gz FMZMNTFAXSBHDB-HNNXBMFYSA-N 1 0 400.527 2.239 50 0 HEAARO CCOc1ccc(N2C(=O)C[C@@H](N3CCC(CC[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000004727890 557587726 /nfs/dbraw/zinc/58/77/26/557587726.db2.gz AJDGTHVZKGEGJG-OAQYLSRUSA-N 1 0 415.534 2.152 50 0 HEAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)cc1 ZINC000022794312 557822093 /nfs/dbraw/zinc/82/20/93/557822093.db2.gz XMJDRFWTOVLDCJ-HXUWFJFHSA-N 1 0 413.518 2.431 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795469 557822572 /nfs/dbraw/zinc/82/25/72/557822572.db2.gz XCSUSPVQMGGGOU-JOCHJYFZSA-N 1 0 424.545 2.355 50 0 HEAARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796460 557823276 /nfs/dbraw/zinc/82/32/76/557823276.db2.gz BXXKEHIICBWRSX-QFIPXVFZSA-N 1 0 408.546 2.025 50 0 HEAARO OCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741781 558262234 /nfs/dbraw/zinc/26/22/34/558262234.db2.gz BPDLYGNHKVPCHV-IBGZPJMESA-N 1 0 413.518 2.283 50 0 HEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000019772139 558280272 /nfs/dbraw/zinc/28/02/72/558280272.db2.gz HQQBQJNUNMXBCG-INIZCTEOSA-N 1 0 406.596 2.234 50 0 HEAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000011844622 558289342 /nfs/dbraw/zinc/28/93/42/558289342.db2.gz NRTZWTDYCKGLGW-LJQANCHMSA-N 1 0 410.555 2.363 50 0 HEAARO CC(=O)NCC[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000011935232 558299113 /nfs/dbraw/zinc/29/91/13/558299113.db2.gz SXYNLNLGJHONIQ-UHFFFAOYSA-N 1 0 407.518 2.183 50 0 HEAARO Cc1cccn2c(C[NH2+]CCc3cn4ccccc4n3)c(C(=O)N3CCOCC3)nc12 ZINC000011935461 558299360 /nfs/dbraw/zinc/29/93/60/558299360.db2.gz RAECTRVWLBSONL-UHFFFAOYSA-N 1 0 418.501 2.095 50 0 HEAARO CCCCNC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000019892028 558303179 /nfs/dbraw/zinc/30/31/79/558303179.db2.gz CPMKTCPBQPMSFR-UHFFFAOYSA-N 1 0 410.522 2.419 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc1OC ZINC000012035510 558311872 /nfs/dbraw/zinc/31/18/72/558311872.db2.gz ZQFZLYWJMULULG-HNNXBMFYSA-N 1 0 401.511 2.187 50 0 HEAARO CCOC(=O)N1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000012075066 558319450 /nfs/dbraw/zinc/31/94/50/558319450.db2.gz MKRPKRBDKUHBLF-FQEVSTJZSA-N 1 0 405.539 2.186 50 0 HEAARO CC(=O)N[C@@H](C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)C(C)C ZINC000012193533 558348540 /nfs/dbraw/zinc/34/85/40/558348540.db2.gz XYILEGXXRUKMQN-LEWJYISDSA-N 1 0 401.551 2.477 50 0 HEAARO O=C(C1CC[NH+](C2CCN(Cc3cccc(OCCO)c3)CC2)CC1)N1CCCC1 ZINC000012300320 558370363 /nfs/dbraw/zinc/37/03/63/558370363.db2.gz JAVBEJNUKWEEHA-UHFFFAOYSA-N 1 0 415.578 2.357 50 0 HEAARO Cc1cccc(Cc2nnc(CCC(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000020997538 558427161 /nfs/dbraw/zinc/42/71/61/558427161.db2.gz YYILVUWRQYWSTI-HXUWFJFHSA-N 1 0 412.534 2.472 50 0 HEAARO CC(C)(C)NC(=O)CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000021927315 558455602 /nfs/dbraw/zinc/45/56/02/558455602.db2.gz BMPZTQRAFPKHAV-UHFFFAOYSA-N 1 0 400.567 2.345 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000013573233 558542825 /nfs/dbraw/zinc/54/28/25/558542825.db2.gz NVVBORDBMCXQLB-SANUXOLBSA-N 1 0 405.495 2.098 50 0 HEAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1ccccc1)CC2 ZINC000023337422 558549671 /nfs/dbraw/zinc/54/96/71/558549671.db2.gz KSAGNDSBUFKSHF-UHFFFAOYSA-N 1 0 407.493 2.377 50 0 HEAARO CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)C2 ZINC000023354061 558551099 /nfs/dbraw/zinc/55/10/99/558551099.db2.gz NSXFAYOGESTLHA-GOSISDBHSA-N 1 0 417.598 2.087 50 0 HEAARO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1OC ZINC000023359354 558551394 /nfs/dbraw/zinc/55/13/94/558551394.db2.gz LCZWFPDBAYCJDQ-NRFANRHFSA-N 1 0 405.583 2.445 50 0 HEAARO O=C(c1cnc2n(c1=O)CCS2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023761927 558574499 /nfs/dbraw/zinc/57/44/99/558574499.db2.gz IFRQQYVEOMCOCH-UHFFFAOYSA-N 1 0 406.511 2.460 50 0 HEAARO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000014047938 558615282 /nfs/dbraw/zinc/61/52/82/558615282.db2.gz UIDHVTZQVLLNLG-IBGZPJMESA-N 1 0 424.501 2.090 50 0 HEAARO COc1ccc([C@H](CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)[NH+]2CCCC2)cc1 ZINC000025778249 558649719 /nfs/dbraw/zinc/64/97/19/558649719.db2.gz IKTRVBAQJFVCAU-FQEVSTJZSA-N 1 0 422.485 2.064 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cn2)CC1 ZINC000065166785 558652819 /nfs/dbraw/zinc/65/28/19/558652819.db2.gz CARJGNJVHMKPAV-SFHVURJKSA-N 1 0 400.571 2.093 50 0 HEAARO COC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000026455895 558660989 /nfs/dbraw/zinc/66/09/89/558660989.db2.gz BVDXLXKEEVSGNH-LJQANCHMSA-N 1 0 403.479 2.361 50 0 HEAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCO)C[N@@H+](Cc2ccccc2)C1 ZINC000014745833 558668957 /nfs/dbraw/zinc/66/89/57/558668957.db2.gz OILHSNFQKOAKBY-FCHUYYIVSA-N 1 0 421.541 2.361 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014746394 558669341 /nfs/dbraw/zinc/66/93/41/558669341.db2.gz RHBVVGAYUYWWPV-QGZVFWFLSA-N 1 0 400.498 2.204 50 0 HEAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 ZINC000014748306 558670036 /nfs/dbraw/zinc/67/00/36/558670036.db2.gz HTSMODGGUFFKOC-KRWDZBQOSA-N 1 0 401.507 2.299 50 0 HEAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@@H](C)CO)CC3)cc1 ZINC000014749703 558670397 /nfs/dbraw/zinc/67/03/97/558670397.db2.gz YHQYSHCBOOMELO-SFHVURJKSA-N 1 0 417.550 2.373 50 0 HEAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CN1C(=O)CSC1=O ZINC000014974829 558688886 /nfs/dbraw/zinc/68/88/86/558688886.db2.gz VTSBVAYCHVXUKT-OAHLLOKOSA-N 1 0 407.511 2.234 50 0 HEAARO CC[C@@H](O)CNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000014976110 558689258 /nfs/dbraw/zinc/68/92/58/558689258.db2.gz FJTDDKLDWWCXJW-GOSISDBHSA-N 1 0 400.523 2.396 50 0 HEAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000014980048 558690783 /nfs/dbraw/zinc/69/07/83/558690783.db2.gz KZQDGUOARSETHU-UHFFFAOYSA-N 1 0 409.490 2.301 50 0 HEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000022938068 558726595 /nfs/dbraw/zinc/72/65/95/558726595.db2.gz ZKIDMGXOQJCIML-QFIPXVFZSA-N 1 0 408.546 2.497 50 0 HEAARO CCCC[N@H+](CC)CCCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004563734 558733364 /nfs/dbraw/zinc/73/33/64/558733364.db2.gz WZPGIBOMXNOHEQ-UHFFFAOYSA-N 1 0 414.550 2.136 50 0 HEAARO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000016022326 558768172 /nfs/dbraw/zinc/76/81/72/558768172.db2.gz WDEINBOUOXDXJQ-CMCWBKRRSA-N 1 0 401.466 2.156 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016024881 558768867 /nfs/dbraw/zinc/76/88/67/558768867.db2.gz JZVXWJKGRYEPKY-VKDGWMQASA-N 1 0 403.482 2.450 50 0 HEAARO CC(C)(C(N)=O)N1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000072308868 558771504 /nfs/dbraw/zinc/77/15/04/558771504.db2.gz METIUMVDMOPDEI-UHFFFAOYSA-N 1 0 408.546 2.164 50 0 HEAARO Cc1cc(N2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2)nc(C(C)C)n1 ZINC000016103470 558771915 /nfs/dbraw/zinc/77/19/15/558771915.db2.gz GTTGEGGWMJKHLQ-UHFFFAOYSA-N 1 0 422.537 2.244 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCC[NH+]1CCCCC1 ZINC000032987598 558807506 /nfs/dbraw/zinc/80/75/06/558807506.db2.gz RDCBYWULPOJCQJ-UHFFFAOYSA-N 1 0 421.498 2.048 50 0 HEAARO COc1ccc(Cl)cc1C(=O)NCCNc1cc(N2CCOCC2)nc(C)[nH+]1 ZINC000038488294 558811578 /nfs/dbraw/zinc/81/15/78/558811578.db2.gz OEWMHPOSLCWILN-UHFFFAOYSA-N 1 0 405.886 2.126 50 0 HEAARO Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)N3CCC[N@@H+](C)CC3)c2=O)c1 ZINC000097938434 558824963 /nfs/dbraw/zinc/82/49/63/558824963.db2.gz LRLCABPLZUYDSO-UHFFFAOYSA-N 1 0 411.506 2.273 50 0 HEAARO Cc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000032999425 558825996 /nfs/dbraw/zinc/82/59/96/558825996.db2.gz HDOWGIUWFGCPDP-UHFFFAOYSA-N 1 0 423.579 2.055 50 0 HEAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000018123104 558831659 /nfs/dbraw/zinc/83/16/59/558831659.db2.gz WDPQGIKZTUBBAH-SFHVURJKSA-N 1 0 415.877 2.390 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000046960006 558841465 /nfs/dbraw/zinc/84/14/65/558841465.db2.gz WDNMXPCCWHADAY-MRXNPFEDSA-N 1 0 413.609 2.387 50 0 HEAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072314226 558842178 /nfs/dbraw/zinc/84/21/78/558842178.db2.gz PVVBYURAADNYBB-LPHOPBHVSA-N 1 0 407.942 2.275 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)CCCC2 ZINC000072314773 558849320 /nfs/dbraw/zinc/84/93/20/558849320.db2.gz AKUBOBMKFAPANR-UHFFFAOYSA-N 1 0 409.552 2.446 50 0 HEAARO NS(=O)(=O)c1ccc(C[NH2+]CC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000058137700 558900930 /nfs/dbraw/zinc/90/09/30/558900930.db2.gz ZPUSUOIQXWVDPN-UHFFFAOYSA-N 1 0 402.303 2.047 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+][C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000058146148 558902150 /nfs/dbraw/zinc/90/21/50/558902150.db2.gz HHKAFHXJRAICGL-KRWDZBQOSA-N 1 0 419.522 2.318 50 0 HEAARO O=C(c1cn2ccccc2n1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751464 558909052 /nfs/dbraw/zinc/90/90/52/558909052.db2.gz FOARXEJXSBVDAR-SFHVURJKSA-N 1 0 409.534 2.273 50 0 HEAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000071754841 558909578 /nfs/dbraw/zinc/90/95/78/558909578.db2.gz YARXXBHKGLDHNY-INIZCTEOSA-N 1 0 417.959 2.104 50 0 HEAARO CCS(=O)(=O)c1ncc(CN2CC[C@H]([NH+](C)C)C2)n1CCCc1ccccc1 ZINC000019537771 558914019 /nfs/dbraw/zinc/91/40/19/558914019.db2.gz ARNRSRBAFAFSCC-IBGZPJMESA-N 1 0 404.580 2.445 50 0 HEAARO COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000058377681 558922782 /nfs/dbraw/zinc/92/27/82/558922782.db2.gz OUXZRTGXTOOWFE-GOSISDBHSA-N 1 0 402.495 2.072 50 0 HEAARO O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072163058 558930211 /nfs/dbraw/zinc/93/02/11/558930211.db2.gz IURQZGPDEGLFJE-MRXNPFEDSA-N 1 0 423.439 2.149 50 0 HEAARO O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCC[NH+]1CCCCC1 ZINC000033061923 558955673 /nfs/dbraw/zinc/95/56/73/558955673.db2.gz RZNHEJREEILEAA-UHFFFAOYSA-N 1 0 405.499 2.464 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000064814542 558965970 /nfs/dbraw/zinc/96/59/70/558965970.db2.gz MOJJLLOOGVSUHD-UHFFFAOYSA-N 1 0 419.526 2.344 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc2ccnc(N3CCN(C(=O)c4ccco4)CC3)c2c1 ZINC000065002579 558968863 /nfs/dbraw/zinc/96/88/63/558968863.db2.gz ZPSKWUJOONIVDO-UHFFFAOYSA-N 1 0 421.501 2.082 50 0 HEAARO CN(Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000065363183 558974085 /nfs/dbraw/zinc/97/40/85/558974085.db2.gz DBZROLCFDAMEIB-UHFFFAOYSA-N 1 0 401.532 2.331 50 0 HEAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000065364605 558975710 /nfs/dbraw/zinc/97/57/10/558975710.db2.gz JFNHHMBJLQJGIY-INIZCTEOSA-N 1 0 405.923 2.234 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000065365803 558976568 /nfs/dbraw/zinc/97/65/68/558976568.db2.gz XRWBODWSFGYNME-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000067630073 558990242 /nfs/dbraw/zinc/99/02/42/558990242.db2.gz VKPIKATYQTWSKM-UHFFFAOYSA-N 1 0 419.888 2.377 50 0 HEAARO C[N@@H+]1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)C[C@@H]1c1ccccc1 ZINC000067675221 558991242 /nfs/dbraw/zinc/99/12/42/558991242.db2.gz XTCQJQBWQRCTFV-HXUWFJFHSA-N 1 0 419.529 2.295 50 0 HEAARO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067856053 558994034 /nfs/dbraw/zinc/99/40/34/558994034.db2.gz ZDTQZVTXTCCQME-QUCCMNQESA-N 1 0 403.482 2.462 50 0 HEAARO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000097139552 558996787 /nfs/dbraw/zinc/99/67/87/558996787.db2.gz QITJCDXIIJWWHG-GXTWGEPZSA-N 1 0 411.428 2.090 50 0 HEAARO CC[NH+]1CCN(CCCN2CC3(CCN(c4ncccc4F)CC3)OC2=O)CC1 ZINC000077318896 559001063 /nfs/dbraw/zinc/00/10/63/559001063.db2.gz LJVAZDSLABXUSG-UHFFFAOYSA-N 1 0 405.518 2.040 50 0 HEAARO CCCCCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)cc2C1 ZINC000077339469 559001775 /nfs/dbraw/zinc/00/17/75/559001775.db2.gz JQHHWVDBFJQJRV-LJQANCHMSA-N 1 0 407.580 2.476 50 0 HEAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)CC1 ZINC000077517838 559008038 /nfs/dbraw/zinc/00/80/38/559008038.db2.gz CBCHVTUZBHTYNU-UHFFFAOYSA-N 1 0 414.550 2.141 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC000082108097 559038716 /nfs/dbraw/zinc/03/87/16/559038716.db2.gz WSNOKGMXJOHZOG-GOSISDBHSA-N 1 0 420.561 2.358 50 0 HEAARO CCn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082120551 559039401 /nfs/dbraw/zinc/03/94/01/559039401.db2.gz WJJHUMPRTKHNHA-HXUWFJFHSA-N 1 0 410.566 2.291 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(c3nc(CO)cs3)CC2)C1 ZINC000082121497 559039551 /nfs/dbraw/zinc/03/95/51/559039551.db2.gz QRQUENCOHWREAR-MRXNPFEDSA-N 1 0 415.563 2.028 50 0 HEAARO Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082126003 559039831 /nfs/dbraw/zinc/03/98/31/559039831.db2.gz KXELLFINRAMSDB-FQEVSTJZSA-N 1 0 410.566 2.414 50 0 HEAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082146864 559040836 /nfs/dbraw/zinc/04/08/36/559040836.db2.gz NTRPLVNCZXIBLB-HXUWFJFHSA-N 1 0 413.566 2.480 50 0 HEAARO CN(CCc1cn[nH]c1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000092077011 559075384 /nfs/dbraw/zinc/07/53/84/559075384.db2.gz WWZRQXJGSPCEDV-NRFANRHFSA-N 1 0 410.566 2.182 50 0 HEAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H]2CCNC2=O)c1 ZINC000095527433 559086092 /nfs/dbraw/zinc/08/60/92/559086092.db2.gz ILWAYWQVLKVRMJ-LJQANCHMSA-N 1 0 401.507 2.099 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC000096130303 559095373 /nfs/dbraw/zinc/09/53/73/559095373.db2.gz ZDPCVRQQJDLNNN-UHFFFAOYSA-N 1 0 403.914 2.469 50 0 HEAARO Cc1cn2c(nc3c2c(=O)n(CCCc2ccccc2)c(=O)n3C)n1CCC[NH+](C)C ZINC000011666727 559149681 /nfs/dbraw/zinc/14/96/81/559149681.db2.gz WQQMAGHECLBJKF-UHFFFAOYSA-N 1 0 422.533 2.042 50 0 HEAARO C[NH+](C)CCn1c2c(c(SCC(=O)Nc3ccc(F)c(F)c3)nc1=O)CCC2 ZINC000004851737 559191225 /nfs/dbraw/zinc/19/12/25/559191225.db2.gz XLYJOMKWXNXXHR-UHFFFAOYSA-N 1 0 408.474 2.303 50 0 HEAARO CCOc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1 ZINC000004851659 559191265 /nfs/dbraw/zinc/19/12/65/559191265.db2.gz LOUOBGFCSPLRHG-UHFFFAOYSA-N 1 0 416.547 2.423 50 0 HEAARO CC1CC[NH+](CCCNC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)CC1 ZINC000004873322 559194804 /nfs/dbraw/zinc/19/48/04/559194804.db2.gz OSQLFMJIRQEWHF-UHFFFAOYSA-N 1 0 420.941 2.362 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000004971480 559220530 /nfs/dbraw/zinc/22/05/30/559220530.db2.gz FUGTZBGMOGUTED-MRXNPFEDSA-N 1 0 405.564 2.386 50 0 HEAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CNS(C)(=O)=O)C3)C2)cc1 ZINC000426436544 559271574 /nfs/dbraw/zinc/27/15/74/559271574.db2.gz KUNSOCNJFCUNTJ-NRFANRHFSA-N 1 0 407.580 2.174 50 0 HEAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000079025727 560541385 /nfs/dbraw/zinc/54/13/85/560541385.db2.gz OZIIFTIQZAMOMG-MJGOQNOKSA-N 1 0 418.607 2.158 50 0 HEAARO O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000206233301 560554960 /nfs/dbraw/zinc/55/49/60/560554960.db2.gz FGYVIIOAZBWZLA-HXUWFJFHSA-N 1 0 424.501 2.261 50 0 HEAARO C=C1C(NCCCN2CC[NH+](CCC)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020465584 560708263 /nfs/dbraw/zinc/70/82/63/560708263.db2.gz JMZLTWRQKUNDFM-UHFFFAOYSA-N 1 0 404.580 2.475 50 0 HEAARO Cc1csc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC3CCCC3)CC2)n1 ZINC000047264171 560885473 /nfs/dbraw/zinc/88/54/73/560885473.db2.gz VHFGLWUYENLEHY-ZDUSSCGKSA-N 1 0 407.540 2.259 50 0 HEAARO COCCn1nc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1=O ZINC000048361900 568441638 /nfs/dbraw/zinc/44/16/38/568441638.db2.gz HDRUINQILHTEDG-ROUUACIJSA-N 1 0 412.534 2.298 50 0 HEAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)C(=O)NCC(F)(F)F)CC1 ZINC000049523478 568452291 /nfs/dbraw/zinc/45/22/91/568452291.db2.gz HJKWTRAPYZLDBX-UHFFFAOYSA-N 1 0 403.470 2.415 50 0 HEAARO CCOC(=O)c1[nH]c(C)c(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020467500 568610558 /nfs/dbraw/zinc/61/05/58/568610558.db2.gz DMRFPNQSTLDBFX-UHFFFAOYSA-N 1 0 412.534 2.356 50 0 HEAARO CCN1CCN(C(=O)[C@H](C)[N@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000095448083 568612370 /nfs/dbraw/zinc/61/23/70/568612370.db2.gz LYDHVHRODJSGNP-IBGZPJMESA-N 1 0 415.582 2.415 50 0 HEAARO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095458546 568619012 /nfs/dbraw/zinc/61/90/12/568619012.db2.gz CHKIMDLPCIVZOQ-CQSZACIVSA-N 1 0 417.333 2.446 50 0 HEAARO COc1ccccc1[C@@H](CNC(=O)[C@H]1COCCN1CC(F)F)[NH+]1CCCCC1 ZINC000225392810 568633647 /nfs/dbraw/zinc/63/36/47/568633647.db2.gz NMTCCWXTCKUENO-QZTJIDSGSA-N 1 0 411.493 2.304 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000095950734 568667488 /nfs/dbraw/zinc/66/74/88/568667488.db2.gz YPRXMHOHPZQPNN-PMACEKPBSA-N 1 0 410.518 2.108 50 0 HEAARO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000096012288 568684819 /nfs/dbraw/zinc/68/48/19/568684819.db2.gz XVSDUPXEHRZKPW-LBPRGKRZSA-N 1 0 407.989 2.401 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000229503201 568714263 /nfs/dbraw/zinc/71/42/63/568714263.db2.gz XASGEJYDBMIYFC-LJQANCHMSA-N 1 0 418.515 2.154 50 0 HEAARO COC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@H+](C)Cc3ccccc3)cc2)c1N ZINC000021652381 568730375 /nfs/dbraw/zinc/73/03/75/568730375.db2.gz LRQQYGYIADEPMV-UHFFFAOYSA-N 1 0 421.501 2.493 50 0 HEAARO CCCS(=O)(=O)NC1CC[NH+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000241862542 568731847 /nfs/dbraw/zinc/73/18/47/568731847.db2.gz SQYVHDIWHYMCPV-KXBFYZLASA-N 1 0 401.573 2.037 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398482 568747446 /nfs/dbraw/zinc/74/74/46/568747446.db2.gz WLERCFIAHBXALK-KRWDZBQOSA-N 1 0 419.591 2.126 50 0 HEAARO Cc1nn(CC(=O)N2CC[NH+](C(C)C)CC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400170 568749360 /nfs/dbraw/zinc/74/93/60/568749360.db2.gz QQCWQDDWVKJHKN-UHFFFAOYSA-N 1 0 411.531 2.381 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579343 568770507 /nfs/dbraw/zinc/77/05/07/568770507.db2.gz JCJDOPVLSHJNSV-HXUWFJFHSA-N 1 0 407.511 2.101 50 0 HEAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582651 568770715 /nfs/dbraw/zinc/77/07/15/568770715.db2.gz SRHZQUAOJNAUQZ-OAQYLSRUSA-N 1 0 410.518 2.047 50 0 HEAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582834 568771069 /nfs/dbraw/zinc/77/10/69/568771069.db2.gz DICLFCOSZDFPEZ-OAQYLSRUSA-N 1 0 424.545 2.355 50 0 HEAARO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N1CC2 ZINC000002468424 568772887 /nfs/dbraw/zinc/77/28/87/568772887.db2.gz QTQXEGNQRSHSGD-VXKWHMMOSA-N 1 0 423.513 2.218 50 0 HEAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCC[NH+]1CCN(c3cc[n+]([O-])cc3)CC1)C2=O ZINC000002554328 568782408 /nfs/dbraw/zinc/78/24/08/568782408.db2.gz NGGHDEXGMMOXQL-WMZHIEFXSA-N 1 0 414.550 2.034 50 0 HEAARO O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCCC[NH+]1CCCCC1 ZINC000003045858 568849029 /nfs/dbraw/zinc/84/90/29/568849029.db2.gz HVTGUHCQVDAJLE-NRFANRHFSA-N 1 0 409.534 2.396 50 0 HEAARO CCNC(=O)COc1ccc(CNC(=[NH2+])NCCc2ccc(OC)cc2)cc1OC ZINC000057887446 568865653 /nfs/dbraw/zinc/86/56/53/568865653.db2.gz YBOSPLDZJYROFP-UHFFFAOYSA-N 1 0 414.506 2.075 50 0 HEAARO Cc1nonc1C(=O)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000299771050 568874281 /nfs/dbraw/zinc/87/42/81/568874281.db2.gz RJRSXWOVZJNMOM-GOSISDBHSA-N 1 0 415.538 2.097 50 0 HEAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@@H+](C3CCCCC3)C2)nn1 ZINC000299777437 568874723 /nfs/dbraw/zinc/87/47/23/568874723.db2.gz DNRFYBJVBIFSOG-QAPCUYQASA-N 1 0 417.535 2.391 50 0 HEAARO Cc1ccc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c(C)c1 ZINC000299788359 568875653 /nfs/dbraw/zinc/87/56/53/568875653.db2.gz QVGAMVDSGJCKRR-NRFANRHFSA-N 1 0 413.562 2.383 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000263586296 568879114 /nfs/dbraw/zinc/87/91/14/568879114.db2.gz SJYJJLZXKFNEDG-IRFCIJBXSA-N 1 0 417.550 2.368 50 0 biogenic HEAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000003657268 568923122 /nfs/dbraw/zinc/92/31/22/568923122.db2.gz AQSGOOFHJWXOPI-NHCUHLMSSA-N 1 0 413.493 2.431 50 0 HEAARO O=C(NCCc1[nH+]cc2ccccn21)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000031773121 568930849 /nfs/dbraw/zinc/93/08/49/568930849.db2.gz VAYZASBIKYLCOL-UHFFFAOYSA-N 1 0 412.515 2.481 50 0 HEAARO NC(=O)[C@@H]1CCC[N@H+](CCCNS(=O)(=O)c2cccc3cccc(Cl)c32)C1 ZINC000670470918 568998212 /nfs/dbraw/zinc/99/82/12/568998212.db2.gz BJBFNZJOXBXJME-OAHLLOKOSA-N 1 0 409.939 2.359 50 0 HEAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(OCCO)cc3)C[C@H]2CCO)cc1C ZINC000104331897 569008332 /nfs/dbraw/zinc/00/83/32/569008332.db2.gz QQKUTCVISAMSKU-JOCHJYFZSA-N 1 0 414.546 2.444 50 0 HEAARO CC[NH+](CC)CCn1c(N)cc(=O)n(CC(=O)Nc2c(C)cccc2C(C)C)c1=O ZINC000012847580 569010252 /nfs/dbraw/zinc/01/02/52/569010252.db2.gz PMBSGHASWFIZNL-UHFFFAOYSA-N 1 0 415.538 2.005 50 0 HEAARO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)c1 ZINC000015862683 569016007 /nfs/dbraw/zinc/01/60/07/569016007.db2.gz INTHAHBUZQCSEA-UHFFFAOYSA-N 1 0 419.522 2.147 50 0 HEAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000228968509 569040397 /nfs/dbraw/zinc/04/03/97/569040397.db2.gz KYGDFRZXJUQQBF-PGRDOPGGSA-N 1 0 413.562 2.313 50 0 HEAARO COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 ZINC000245245667 569055394 /nfs/dbraw/zinc/05/53/94/569055394.db2.gz FUBRPKCOXHXZHG-WTGUMLROSA-N 1 0 418.405 2.104 50 0 HEAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459813 569062999 /nfs/dbraw/zinc/06/29/99/569062999.db2.gz ZMJUIRJLUOQHOS-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO CC(C)CN(C(=O)C[NH+]1CCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000006598432 569069285 /nfs/dbraw/zinc/06/92/85/569069285.db2.gz FHUMTPAKAQDFGR-UHFFFAOYSA-N 1 0 407.559 2.030 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064814544 569100519 /nfs/dbraw/zinc/10/05/19/569100519.db2.gz XIDXFVAITRFLAY-UHFFFAOYSA-N 1 0 423.489 2.174 50 0 HEAARO Cc1onc2c1c(C)nn(CC(=O)NCC1CC[NH+](Cc3ccc(C)cc3)CC1)c2=O ZINC000064842280 569106934 /nfs/dbraw/zinc/10/69/34/569106934.db2.gz YGUUVFDRGXOZFZ-UHFFFAOYSA-N 1 0 423.517 2.338 50 0 HEAARO O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCCC[NH+]1CCCCCC1 ZINC000006798601 569126531 /nfs/dbraw/zinc/12/65/31/569126531.db2.gz JBBXDOJSPVZXKC-UHFFFAOYSA-N 1 0 414.535 2.002 50 0 HEAARO Cc1c2cnn(CC(=O)NCCC[NH+]3CCCC3)c(=O)c2c(C)n1Cc1ccccc1 ZINC000006807888 569132196 /nfs/dbraw/zinc/13/21/96/569132196.db2.gz UVORDUYCMRMAIE-UHFFFAOYSA-N 1 0 421.545 2.465 50 0 HEAARO O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000169772664 569171865 /nfs/dbraw/zinc/17/18/65/569171865.db2.gz LKTOUCSHLGIWDX-HXUWFJFHSA-N 1 0 424.476 2.047 50 0 HEAARO CCCC[N@H+](CC)CCNC(=O)Cn1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006943719 569186907 /nfs/dbraw/zinc/18/69/07/569186907.db2.gz KXIYFLOXBIXBGV-UHFFFAOYSA-N 1 0 424.549 2.437 50 0 HEAARO Cc1oc2c(c1C(=O)NCCN1CC[NH+](C)CC1)CN(Cc1ccc(C)cc1)CC2 ZINC000065289710 569217940 /nfs/dbraw/zinc/21/79/40/569217940.db2.gz ZTYWGNGHLZFIDQ-UHFFFAOYSA-N 1 0 410.562 2.432 50 0 HEAARO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520694 569260284 /nfs/dbraw/zinc/26/02/84/569260284.db2.gz QKIZVMOYWLAZDS-NRFANRHFSA-N 1 0 420.517 2.001 50 0 HEAARO C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520327 569260311 /nfs/dbraw/zinc/26/03/11/569260311.db2.gz WUSRXOKZXQJUFM-AWEZNQCLSA-N 1 0 401.898 2.244 50 0 HEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(c2nc(-c3ccncc3)nc3c2CCC3)CC1 ZINC000089885237 569267715 /nfs/dbraw/zinc/26/77/15/569267715.db2.gz ILIVEOONLHEVLB-UHFFFAOYSA-N 1 0 408.550 2.453 50 0 HEAARO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000252452598 569286441 /nfs/dbraw/zinc/28/64/41/569286441.db2.gz QOODKMAVZLNLSA-AZUAARDMSA-N 1 0 407.580 2.468 50 0 HEAARO CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C ZINC000010233407 569291301 /nfs/dbraw/zinc/29/13/01/569291301.db2.gz PMKZCMUIFVEWIZ-UHFFFAOYSA-N 1 0 422.533 2.156 50 0 HEAARO COc1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000253381081 569364884 /nfs/dbraw/zinc/36/48/84/569364884.db2.gz CPLYWWPWWQYOHJ-DWVOJBSXSA-N 1 0 415.877 2.494 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388023 569365003 /nfs/dbraw/zinc/36/50/03/569365003.db2.gz WDKZIRCIAYUKBA-FHWLQOOXSA-N 1 0 407.580 2.372 50 0 HEAARO Cn1c2nc(SCC[NH+]3CCCCC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000002438581 569399976 /nfs/dbraw/zinc/39/99/76/569399976.db2.gz BDPSOPZZXIOVGF-UHFFFAOYSA-N 1 0 413.547 2.060 50 0 HEAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@]21O ZINC000012661503 569402617 /nfs/dbraw/zinc/40/26/17/569402617.db2.gz NWQKPLHTFSPSHT-XSMYHSDESA-N 1 0 423.550 2.103 50 0 biogenic HEAARO O[C@@H](C[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@H]1CCCO1 ZINC000079076634 569427122 /nfs/dbraw/zinc/42/71/22/569427122.db2.gz TVAPYPRYQXODOA-JKSUJKDBSA-N 1 0 423.439 2.219 50 0 HEAARO Cc1cc2c(cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1)OCC(=O)N2 ZINC000008599866 571089425 /nfs/dbraw/zinc/08/94/25/571089425.db2.gz XWXDNMFLDCXJTD-UHFFFAOYSA-N 1 0 403.504 2.078 50 0 HEAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2cc(Cl)ccc2Cl)C1 ZINC000670472608 571096925 /nfs/dbraw/zinc/09/69/25/571096925.db2.gz RSHBFJZEYXDMSR-ZDUSSCGKSA-N 1 0 402.322 2.198 50 0 HEAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008864233 571128924 /nfs/dbraw/zinc/12/89/24/571128924.db2.gz XGXVAJJFYBUXKB-MRXNPFEDSA-N 1 0 401.488 2.411 50 0 HEAARO COc1cc(C=CC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc(OC)c1OC ZINC000008994600 571208218 /nfs/dbraw/zinc/20/82/18/571208218.db2.gz OVSVXKLBXSZIGR-SNAWJCMRSA-N 1 0 412.490 2.112 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000009528425 571266179 /nfs/dbraw/zinc/26/61/79/571266179.db2.gz ZSMOLEJEXNURTP-SFHVURJKSA-N 1 0 409.577 2.299 50 0 HEAARO Cc1nn(CC(=O)NCCC[NH+]2CCCCCC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000009727624 571282534 /nfs/dbraw/zinc/28/25/34/571282534.db2.gz BXIHMKNMCXOZCB-UHFFFAOYSA-N 1 0 422.533 2.249 50 0 HEAARO COC(=O)c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(c3cccs3)CC2)cc1 ZINC000077104304 571311725 /nfs/dbraw/zinc/31/17/25/571311725.db2.gz BMHFCJKGVTXQNY-UHFFFAOYSA-N 1 0 415.515 2.469 50 0 HEAARO CC(=O)N1CCC2(CC1)C[C@H](CC(=O)NCC[N@@H+]1CCc3ccccc3C1)CCO2 ZINC000581786396 1078766649 /nfs/dbraw/zinc/76/66/49/1078766649.db2.gz VASKMIJLKDOWAY-FQEVSTJZSA-N 1 0 413.562 2.359 50 0 HEAARO CC(C)NC(=O)N1CCOc2ccc(CCC(=O)NCC[NH+]3CCCC3)cc2C1 ZINC000581800224 1078770637 /nfs/dbraw/zinc/77/06/37/1078770637.db2.gz QZRQVYAJEADWLH-UHFFFAOYSA-N 1 0 402.539 2.144 50 0 HEAARO C[N@@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)NCCc1ccccc1)CC2 ZINC000581802496 1078772507 /nfs/dbraw/zinc/77/25/07/1078772507.db2.gz ITGDHLQYEXJVBT-OAQYLSRUSA-N 1 0 400.567 2.057 50 0 HEAARO C[N@@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802825 1078772516 /nfs/dbraw/zinc/77/25/16/1078772516.db2.gz PPAYJYWIJPGKIU-FQEVSTJZSA-N 1 0 408.546 2.494 50 0 HEAARO Cn1cnc(S(=O)(=O)N2CCOc3ccc(C[NH+]4CCCCCC4)cc3C2)c1 ZINC000581820151 1078790078 /nfs/dbraw/zinc/79/00/78/1078790078.db2.gz VKDGNIHHOMJKAX-UHFFFAOYSA-N 1 0 404.536 2.379 50 0 HEAARO COCCC1(NS(=O)(=O)c2cccc3nsnc32)CC[NH+](CC2CC2)CC1 ZINC000581804578 1078780711 /nfs/dbraw/zinc/78/07/11/1078780711.db2.gz BMNJLNVKZGJCAU-UHFFFAOYSA-N 1 0 410.565 2.251 50 0 HEAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H](O)c1ccccc1 ZINC000043417389 521825294 /nfs/dbraw/zinc/82/52/94/521825294.db2.gz BXIPUSUOOMGYIH-APWZRJJASA-N 1 0 405.520 2.123 50 0 HEAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H](O)c1ccccc1 ZINC000043417391 521854706 /nfs/dbraw/zinc/85/47/06/521854706.db2.gz BXIPUSUOOMGYIH-LPHOPBHVSA-N 1 0 405.520 2.123 50 0 HEAARO Cc1ccc(C[N@H+]2CCCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)CC2)cc1 ZINC000032964503 524446388 /nfs/dbraw/zinc/44/63/88/524446388.db2.gz URLGBJLJLSVHSC-IBGZPJMESA-N 1 0 419.529 2.368 50 0 HEAARO C[C@H]1COc2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2N1Cc1ccccc1 ZINC000040455611 524746160 /nfs/dbraw/zinc/74/61/60/524746160.db2.gz VLVMYLBRCBOVGL-IBGZPJMESA-N 1 0 408.546 2.451 50 0 HEAARO CS(=O)(=O)NC1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000032870944 525189973 /nfs/dbraw/zinc/18/99/73/525189973.db2.gz GDJRADQBBSWUPT-FQEVSTJZSA-N 1 0 421.588 2.357 50 0 HEAARO O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000001179462 557229679 /nfs/dbraw/zinc/22/96/79/557229679.db2.gz WNDBQHRDLSZSFD-UHFFFAOYSA-N 1 0 422.529 2.367 50 0 HEAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1 ZINC000004728063 557587626 /nfs/dbraw/zinc/58/76/26/557587626.db2.gz RYYAKJWQLRWILU-IBGZPJMESA-N 1 0 421.453 2.412 50 0 HEAARO C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008739213 557803429 /nfs/dbraw/zinc/80/34/29/557803429.db2.gz FQRLMLBNFOIULT-MRXNPFEDSA-N 1 0 423.561 2.489 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc(F)cc2)CC1 ZINC000022795825 557822863 /nfs/dbraw/zinc/82/28/63/557822863.db2.gz ZLBKTRNRCVAXTD-NRFANRHFSA-N 1 0 416.541 2.237 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000022796215 557823053 /nfs/dbraw/zinc/82/30/53/557823053.db2.gz YZJWKFQMLBWZFR-OAQYLSRUSA-N 1 0 412.509 2.486 50 0 HEAARO COc1ccc(OC)c([C@H]2CCN(C(=O)c3cn(CC[NH+]4CCCCC4)nn3)C2)c1 ZINC000011661225 558265304 /nfs/dbraw/zinc/26/53/04/558265304.db2.gz CTXHDXQNMRKTJV-KRWDZBQOSA-N 1 0 413.522 2.411 50 0 HEAARO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000011783706 558275480 /nfs/dbraw/zinc/27/54/80/558275480.db2.gz FMIBJLHHPKLYGD-HNNXBMFYSA-N 1 0 407.474 2.355 50 0 HEAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCNC(=O)C1 ZINC000011817258 558280730 /nfs/dbraw/zinc/28/07/30/558280730.db2.gz YHUZPBHFYFRMQY-UHFFFAOYSA-N 1 0 407.514 2.345 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCN2CCCC2=O)C1 ZINC000011933015 558297841 /nfs/dbraw/zinc/29/78/41/558297841.db2.gz CUXDMCHTXOQMNY-LJQANCHMSA-N 1 0 401.551 2.421 50 0 HEAARO CC(=O)C[C@H](C)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012073954 558318680 /nfs/dbraw/zinc/31/86/80/558318680.db2.gz VMANMCXZUXGCMR-KRWDZBQOSA-N 1 0 417.550 2.305 50 0 HEAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC([C@H](O)c2cccs2)CC1 ZINC000012194205 558348873 /nfs/dbraw/zinc/34/88/73/558348873.db2.gz NNYJLSULPBKJMX-IBGZPJMESA-N 1 0 403.552 2.411 50 0 HEAARO O=C([C@@H]1CCC(=O)N(CC2CCCCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020455010 558368586 /nfs/dbraw/zinc/36/85/86/558368586.db2.gz LYMYVPSPJQURIU-OAQYLSRUSA-N 1 0 405.583 2.376 50 0 HEAARO Cc1cccn2c(C[NH2+]C[C@H](C)Oc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000012433672 558407572 /nfs/dbraw/zinc/40/75/72/558407572.db2.gz RQXLDTFGSROPNH-KRWDZBQOSA-N 1 0 409.490 2.067 50 0 HEAARO NC(=O)CCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012442360 558412612 /nfs/dbraw/zinc/41/26/12/558412612.db2.gz WSRPVOOGIOPUDR-LJQANCHMSA-N 1 0 405.514 2.311 50 0 HEAARO Cc1nc(CC[NH2+]Cc2cccc(OC[C@H](O)CN3CCOCC3)c2)sc1C ZINC000020877523 558419320 /nfs/dbraw/zinc/41/93/20/558419320.db2.gz OSRFZYDZGCEXLX-LJQANCHMSA-N 1 0 405.564 2.164 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020995474 558426790 /nfs/dbraw/zinc/42/67/90/558426790.db2.gz UMPABHHHSCQFBO-UHFFFAOYSA-N 1 0 419.529 2.383 50 0 HEAARO CN(C(=O)c1cnc2ccccn2c1=O)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012584038 558433628 /nfs/dbraw/zinc/43/36/28/558433628.db2.gz XTWWKJJTZSSCEO-LJQANCHMSA-N 1 0 402.498 2.398 50 0 HEAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000012797477 558470021 /nfs/dbraw/zinc/47/00/21/558470021.db2.gz PVDOUEWAIKXANJ-UHFFFAOYSA-N 1 0 408.502 2.143 50 0 HEAARO C[C@@H]1C[C@@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C1 ZINC000004385501 558482838 /nfs/dbraw/zinc/48/28/38/558482838.db2.gz SEVUNENTHZQWCK-HUUCEWRRSA-N 1 0 413.497 2.099 50 0 HEAARO CCCCN(C(=O)C[NH2+][C@H](C)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000013068879 558510637 /nfs/dbraw/zinc/51/06/37/558510637.db2.gz DMXVYRDKAQYXRL-MRXNPFEDSA-N 1 0 415.538 2.403 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000013121184 558517372 /nfs/dbraw/zinc/51/73/72/558517372.db2.gz YPRXMHOHPZQPNN-BGYRXZFFSA-N 1 0 410.518 2.108 50 0 HEAARO CC[NH+](CC)[C@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000023197494 558542132 /nfs/dbraw/zinc/54/21/32/558542132.db2.gz LVUFCHRRPUYABV-IBGZPJMESA-N 1 0 411.502 2.214 50 0 HEAARO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000023805054 558576387 /nfs/dbraw/zinc/57/63/87/558576387.db2.gz GYFWQLPMBSZKFS-HSZRJFAPSA-N 1 0 405.502 2.117 50 0 HEAARO O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022933584 558616222 /nfs/dbraw/zinc/61/62/22/558616222.db2.gz GJNGVDDPAUALHS-UHFFFAOYSA-N 1 0 404.942 2.320 50 0 HEAARO CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000014185416 558630484 /nfs/dbraw/zinc/63/04/84/558630484.db2.gz XTZDNEGISLITPW-AUSIDOKSSA-N 1 0 408.502 2.263 50 0 HEAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1CN1C(=O)CNC1=O ZINC000025384086 558639332 /nfs/dbraw/zinc/63/93/32/558639332.db2.gz NTYLRYMQYNZEQU-KRWDZBQOSA-N 1 0 412.515 2.367 50 0 HEAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1CN1C(=O)CNC1=O ZINC000025384082 558639381 /nfs/dbraw/zinc/63/93/81/558639381.db2.gz NTYLRYMQYNZEQU-QGZVFWFLSA-N 1 0 412.515 2.367 50 0 HEAARO COc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014249716 558649472 /nfs/dbraw/zinc/64/94/72/558649472.db2.gz SRSMXSGNZIZJCG-KRWDZBQOSA-N 1 0 424.530 2.154 50 0 HEAARO CC(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N3C2)cc1 ZINC000014542912 558660778 /nfs/dbraw/zinc/66/07/78/558660778.db2.gz DSJIPLFANTYXMT-BVSLBCMMSA-N 1 0 407.514 2.316 50 0 HEAARO COc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)cc1 ZINC000014740414 558666460 /nfs/dbraw/zinc/66/64/60/558666460.db2.gz XKKCRTPULKTAOF-MRXNPFEDSA-N 1 0 400.548 2.265 50 0 HEAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cn(C)nc1C)CC2 ZINC000014748452 558670029 /nfs/dbraw/zinc/67/00/29/558670029.db2.gz PWGJFMIUZLIEFM-UHFFFAOYSA-N 1 0 424.549 2.375 50 0 HEAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@@H+]1CCCN(C=O)CC1)C2 ZINC000014755674 558672076 /nfs/dbraw/zinc/67/20/76/558672076.db2.gz XNTSZEYDPJLCKT-LJQANCHMSA-N 1 0 415.582 2.331 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CN2CCCCC2=O)C1 ZINC000014965782 558685546 /nfs/dbraw/zinc/68/55/46/558685546.db2.gz SBFCFARETAJERW-IBGZPJMESA-N 1 0 401.551 2.421 50 0 HEAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCCO4)n3CC2)cc1 ZINC000014973169 558688046 /nfs/dbraw/zinc/68/80/46/558688046.db2.gz JMOFJIVECACOBK-FQEVSTJZSA-N 1 0 411.550 2.298 50 0 HEAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)[C@H]4CCCO4)n3CC2)cc1 ZINC000014973173 558688144 /nfs/dbraw/zinc/68/81/44/558688144.db2.gz JMOFJIVECACOBK-HXUWFJFHSA-N 1 0 411.550 2.298 50 0 HEAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCC[C@H](O)C1 ZINC000014975177 558689086 /nfs/dbraw/zinc/68/90/86/558689086.db2.gz JPWBULCRVNHFRE-IBGZPJMESA-N 1 0 412.534 2.492 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014995154 558695863 /nfs/dbraw/zinc/69/58/63/558695863.db2.gz WBIVBVUTTXAYNE-IBGZPJMESA-N 1 0 405.568 2.145 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CCn1cncn1 ZINC000015068617 558711169 /nfs/dbraw/zinc/71/11/69/558711169.db2.gz SGSLNOHMMKHPPX-UHFFFAOYSA-N 1 0 415.538 2.064 50 0 HEAARO COC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1ccccc1Cl ZINC000004570585 558742644 /nfs/dbraw/zinc/74/26/44/558742644.db2.gz KIHKTIYROZJCGW-MRXNPFEDSA-N 1 0 417.893 2.239 50 0 HEAARO COc1ccc2c(c1)N(CC(=O)NCC1([NH+]3CCOCC3)CCCCC1)CCO2 ZINC000072304940 558757532 /nfs/dbraw/zinc/75/75/32/558757532.db2.gz BTQSODOHBLOWTG-UHFFFAOYSA-N 1 0 403.523 2.045 50 0 HEAARO CCC[NH+]1CCN(C(=O)Cn2c(C)ccc(NC(=O)Nc3ccccc3)c2=O)CC1 ZINC000097938413 558824991 /nfs/dbraw/zinc/82/49/91/558824991.db2.gz KXMRTHRWPRCOSH-UHFFFAOYSA-N 1 0 411.506 2.355 50 0 HEAARO C[NH+]1CCN(CCNC(=O)CSc2ncnc3c2sc2cccc(F)c23)CC1 ZINC000033010210 558829617 /nfs/dbraw/zinc/82/96/17/558829617.db2.gz HCKDMLVLVDBYOJ-UHFFFAOYSA-N 1 0 419.551 2.439 50 0 HEAARO CCCC[N@H+](C)CCNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000004598144 558834130 /nfs/dbraw/zinc/83/41/30/558834130.db2.gz MRQRHKINSAIIOC-UHFFFAOYSA-N 1 0 414.550 2.344 50 0 HEAARO NC(=O)CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055227010 558876786 /nfs/dbraw/zinc/87/67/86/558876786.db2.gz REXQKOBCMSFUKJ-QGZVFWFLSA-N 1 0 412.456 2.084 50 0 HEAARO Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000058010582 558895064 /nfs/dbraw/zinc/89/50/64/558895064.db2.gz NKSAZTYMQSHJIV-QFIPXVFZSA-N 1 0 422.508 2.469 50 0 HEAARO CC(C)c1cncnc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071419126 558897574 /nfs/dbraw/zinc/89/75/74/558897574.db2.gz YXJGBGUDBXEJDY-SFHVURJKSA-N 1 0 401.555 2.140 50 0 HEAARO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058158673 558903825 /nfs/dbraw/zinc/90/38/25/558903825.db2.gz LJTMJYSRAXZRKG-SJORKVTESA-N 1 0 417.550 2.351 50 0 HEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3cccs3)CC2)C1)N1CCCC1 ZINC000071708148 558907180 /nfs/dbraw/zinc/90/71/80/558907180.db2.gz OMYGKVNYFVZNIH-MRXNPFEDSA-N 1 0 411.593 2.236 50 0 HEAARO O=C(c1cccc(F)c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745607 558908215 /nfs/dbraw/zinc/90/82/15/558908215.db2.gz GCVNMFIQFVDZMG-GOSISDBHSA-N 1 0 403.498 2.001 50 0 HEAARO Cn1ncc(Cl)c1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748933 558908694 /nfs/dbraw/zinc/90/86/94/558908694.db2.gz KYQHMQSDEGPMBI-OAHLLOKOSA-N 1 0 407.946 2.013 50 0 HEAARO O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCC[NH+]1CCCCCC1 ZINC000033254511 558918355 /nfs/dbraw/zinc/91/83/55/558918355.db2.gz RUMMNWIUEVLMPA-UHFFFAOYSA-N 1 0 407.580 2.470 50 0 HEAARO COc1ccc(CCNC(=[NH2+])NCc2cccc(NC(=O)Cn3cccn3)c2)cc1 ZINC000058329481 558919957 /nfs/dbraw/zinc/91/99/57/558919957.db2.gz YYQMIEJWUAGMCP-UHFFFAOYSA-N 1 0 406.490 2.387 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)nn2)CC1 ZINC000033261545 558931238 /nfs/dbraw/zinc/93/12/38/558931238.db2.gz PIUVDHPOAJRODQ-NRFANRHFSA-N 1 0 422.577 2.460 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000033053088 558938029 /nfs/dbraw/zinc/93/80/29/558938029.db2.gz BLXPUDXWBMEOFY-UHFFFAOYSA-N 1 0 422.595 2.143 50 0 HEAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O ZINC000033068504 558962850 /nfs/dbraw/zinc/96/28/50/558962850.db2.gz NMDJPLANRMBDNS-IBGZPJMESA-N 1 0 422.529 2.210 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3cccs3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065362795 558973677 /nfs/dbraw/zinc/97/36/77/558973677.db2.gz IMVKOPQZYYLAOI-UHFFFAOYSA-N 1 0 407.565 2.348 50 0 HEAARO Cc1sc2nc(CC[NH3+])nc(N3CCC([C@@H](O)c4nccn4C)CC3)c2c1C ZINC000065509218 558978145 /nfs/dbraw/zinc/97/81/45/558978145.db2.gz CXNOVGITSBKXHW-QGZVFWFLSA-N 1 0 400.552 2.493 50 0 HEAARO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000072437287 558980815 /nfs/dbraw/zinc/98/08/15/558980815.db2.gz UHQSREPCUZPZQV-IBGZPJMESA-N 1 0 421.607 2.385 50 0 HEAARO CCNc1cc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc(C)[nH+]1 ZINC000067604905 558988769 /nfs/dbraw/zinc/98/87/69/558988769.db2.gz CQUTUPMHSITTTB-UHFFFAOYSA-N 1 0 415.494 2.205 50 0 HEAARO Cc1cn2cc(CNC(=O)c3ccc(C[NH+]4CCC(F)CC4)[nH]c3=O)nc2s1 ZINC000077437732 559005183 /nfs/dbraw/zinc/00/51/83/559005183.db2.gz WKPMCJLQDPQMJR-UHFFFAOYSA-N 1 0 403.483 2.256 50 0 HEAARO O=C(Nc1ccc(N2CCOCC2)c(F)c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000097019235 559017583 /nfs/dbraw/zinc/01/75/83/559017583.db2.gz VBIVQYTUXDYIIL-PMACEKPBSA-N 1 0 406.502 2.162 50 0 HEAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cn2c3ccccc3n(C)c(=O)c2=O)cc1 ZINC000033272646 559034351 /nfs/dbraw/zinc/03/43/51/559034351.db2.gz QIURIONUBNRRAH-UHFFFAOYSA-N 1 0 422.529 2.210 50 0 HEAARO CCc1nnc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082086674 559036761 /nfs/dbraw/zinc/03/67/61/559036761.db2.gz UWMCJAPQEWHQHW-SFHVURJKSA-N 1 0 412.538 2.020 50 0 HEAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccon3)CC2)C1 ZINC000082097143 559037592 /nfs/dbraw/zinc/03/75/92/559037592.db2.gz WSHGRQDSTGRVEF-IBGZPJMESA-N 1 0 410.518 2.350 50 0 HEAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000082097914 559037778 /nfs/dbraw/zinc/03/77/78/559037778.db2.gz XBZFHGSXKGBIGM-FQEVSTJZSA-N 1 0 407.518 2.110 50 0 HEAARO CN(CCn1cccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082099642 559038098 /nfs/dbraw/zinc/03/80/98/559038098.db2.gz JTNIPBAWRZCNFO-OAQYLSRUSA-N 1 0 410.566 2.113 50 0 HEAARO Cc1cnc(C)c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082108472 559038687 /nfs/dbraw/zinc/03/86/87/559038687.db2.gz LOEWUMSHXAXEEI-LJQANCHMSA-N 1 0 408.550 2.486 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)on1 ZINC000082136792 559040298 /nfs/dbraw/zinc/04/02/98/559040298.db2.gz LRCWZISNYMXQHU-GOSISDBHSA-N 1 0 411.506 2.011 50 0 HEAARO Cc1noc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082136847 559040347 /nfs/dbraw/zinc/04/03/47/559040347.db2.gz WQNHVQCINRETTF-HXUWFJFHSA-N 1 0 411.550 2.413 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)C1 ZINC000082139072 559040723 /nfs/dbraw/zinc/04/07/23/559040723.db2.gz PZKXVESXEKVTAR-SFHVURJKSA-N 1 0 407.518 2.110 50 0 HEAARO Cc1nc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)no1 ZINC000082160367 559041723 /nfs/dbraw/zinc/04/17/23/559041723.db2.gz HPGOJVARMIGLRZ-LJQANCHMSA-N 1 0 412.538 2.108 50 0 HEAARO CCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791655 559065499 /nfs/dbraw/zinc/06/54/99/559065499.db2.gz CDEBSBVTOPQQDC-UHFFFAOYSA-N 1 0 422.529 2.394 50 0 HEAARO OCCC[C@@H]1C[N@H+](Cc2cnn(-c3cccc(F)c3)c2)CC[C@@H]1N1CCOCC1 ZINC000095366152 559080105 /nfs/dbraw/zinc/08/01/05/559080105.db2.gz PSOHXOJEBSMAFL-KNQAVFIVSA-N 1 0 402.514 2.307 50 0 HEAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@H](C)N2CCOCC2)cc1 ZINC000095500968 559082290 /nfs/dbraw/zinc/08/22/90/559082290.db2.gz YCMNOJIJLZURAP-IBGZPJMESA-N 1 0 403.567 2.129 50 0 HEAARO C[NH2+][C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)OC)cn(C4CC4)c3c2OC)C1 ZINC000097756829 559121012 /nfs/dbraw/zinc/12/10/12/559121012.db2.gz RXDQKWFYGOKOEZ-LBPRGKRZSA-N 1 0 403.454 2.459 50 0 HEAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)C1 ZINC000004916333 559204220 /nfs/dbraw/zinc/20/42/20/559204220.db2.gz MHHDPQWYYKIBKI-IAGOWNOFSA-N 1 0 409.534 2.372 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000409415195 559251168 /nfs/dbraw/zinc/25/11/68/559251168.db2.gz WKZMPKKUEWVKAY-XUVXKRRUSA-N 1 0 412.534 2.220 50 0 HEAARO COc1cccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)c1 ZINC000005254405 560551953 /nfs/dbraw/zinc/55/19/53/560551953.db2.gz CAJXPZHLDSUYHF-UHFFFAOYSA-N 1 0 416.547 2.423 50 0 HEAARO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000034262846 560595736 /nfs/dbraw/zinc/59/57/36/560595736.db2.gz CQWNDXGVDUSZRS-JKSUJKDBSA-N 1 0 420.488 2.473 50 0 biogenic HEAARO COc1ccccc1[C@@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)[NH+]1CCCC1 ZINC000018011537 560762383 /nfs/dbraw/zinc/76/23/83/560762383.db2.gz VLUIOLQAWJFIJF-HXUWFJFHSA-N 1 0 406.486 2.428 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701738 560798425 /nfs/dbraw/zinc/79/84/25/560798425.db2.gz OIGJBMPHGVHCCE-QGZVFWFLSA-N 1 0 402.926 2.159 50 0 HEAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)CCCC1 ZINC000101697909 560798436 /nfs/dbraw/zinc/79/84/36/560798436.db2.gz SGYXAZZCWVFNBR-UHFFFAOYSA-N 1 0 400.498 2.035 50 0 HEAARO Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000575317316 560855621 /nfs/dbraw/zinc/85/56/21/560855621.db2.gz ZFXJYBSPRLFNSP-FQEVSTJZSA-N 1 0 415.582 2.212 50 0 HEAARO CCOC(=O)C1C(CN2CC[NH+](C(C)C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318483 560858671 /nfs/dbraw/zinc/85/86/71/560858671.db2.gz RBSSRPYEKXRBBY-HXUWFJFHSA-N 1 0 400.523 2.192 50 0 HEAARO CN(CC[NH+]1CCCCC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012373242 568517360 /nfs/dbraw/zinc/51/73/60/568517360.db2.gz XJEMLQMTIKCUQO-QHCPKHFHSA-N 1 0 422.573 2.475 50 0 HEAARO CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000020116234 568589527 /nfs/dbraw/zinc/58/95/27/568589527.db2.gz REERNORVGPIFBR-GOLJUSPKSA-N 1 0 408.631 2.487 50 0 HEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)CC1 ZINC000095432325 568609303 /nfs/dbraw/zinc/60/93/03/568609303.db2.gz WAXKNGLMEBKUAP-OXQOHEQNSA-N 1 0 414.550 2.342 50 0 HEAARO COc1ccccc1[C@H](CNC(=O)[C@H]1COCCN1CC(F)F)[NH+]1CCCCC1 ZINC000225392769 568633768 /nfs/dbraw/zinc/63/37/68/568633768.db2.gz NMTCCWXTCKUENO-ZWKOTPCHSA-N 1 0 411.493 2.304 50 0 HEAARO COc1ccccc1[C@@H](CNC(=O)[C@@H]1COCCN1CC(F)F)[NH+]1CCCCC1 ZINC000225392731 568633802 /nfs/dbraw/zinc/63/38/02/568633802.db2.gz NMTCCWXTCKUENO-MSOLQXFVSA-N 1 0 411.493 2.304 50 0 HEAARO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000095482559 568634696 /nfs/dbraw/zinc/63/46/96/568634696.db2.gz BOPLXHNMFPXHAA-CQSZACIVSA-N 1 0 401.960 2.343 50 0 HEAARO CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000225504875 568644180 /nfs/dbraw/zinc/64/41/80/568644180.db2.gz AKFLZFUSKQPFRA-VGOFRKELSA-N 1 0 407.555 2.347 50 0 HEAARO COc1ccc(-c2noc(CSCC(=O)NCC[NH+]3CCCC3)n2)cc1OC ZINC000020931113 568651868 /nfs/dbraw/zinc/65/18/68/568651868.db2.gz XKIAFWHXOHFKLO-UHFFFAOYSA-N 1 0 406.508 2.199 50 0 HEAARO Cc1noc2ncnc(N3CCC(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)c12 ZINC000020944893 568653138 /nfs/dbraw/zinc/65/31/38/568653138.db2.gz GDSZDIUKUJEHCF-HNNXBMFYSA-N 1 0 400.527 2.381 50 0 HEAARO COc1ccc2c(c1)C=C(C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000021095448 568664720 /nfs/dbraw/zinc/66/47/20/568664720.db2.gz NXQBSULDMRMIHD-UHFFFAOYSA-N 1 0 407.514 2.405 50 0 HEAARO CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000095981154 568675380 /nfs/dbraw/zinc/67/53/80/568675380.db2.gz IFJGJLNEKODEKG-IRXDYDNUSA-N 1 0 401.942 2.324 50 0 HEAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2)c1N ZINC000021652087 568730068 /nfs/dbraw/zinc/73/00/68/568730068.db2.gz NDBJNIPHHXUXAN-INIZCTEOSA-N 1 0 413.522 2.483 50 0 HEAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000240668474 568730376 /nfs/dbraw/zinc/73/03/76/568730376.db2.gz HNBOYYXZZOXPIQ-PVAVHDDUSA-N 1 0 423.355 2.367 50 0 HEAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N1CC2 ZINC000002468423 568772937 /nfs/dbraw/zinc/77/29/37/568772937.db2.gz QTQXEGNQRSHSGD-FGZHOGPDSA-N 1 0 423.513 2.218 50 0 HEAARO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCNC(=O)C1CC1 ZINC000056555655 568811748 /nfs/dbraw/zinc/81/17/48/568811748.db2.gz VRIBZVAQMRCUHL-UHFFFAOYSA-N 1 0 411.344 2.049 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]CCCN1CCOCC1)CCCC2 ZINC000005864031 568826682 /nfs/dbraw/zinc/82/66/82/568826682.db2.gz YFYVRAAQKLMCBL-UHFFFAOYSA-N 1 0 409.552 2.054 50 0 HEAARO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]CCc1ccc(F)cc1 ZINC000005938335 568831213 /nfs/dbraw/zinc/83/12/13/568831213.db2.gz ICWWSUSDZRPWQS-UHFFFAOYSA-N 1 0 407.467 2.242 50 0 HEAARO O=C1CO[C@@H](CNc2ncnc3sccc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299761872 568873309 /nfs/dbraw/zinc/87/33/09/568873309.db2.gz YTQIWFGYDXLSNV-KRWDZBQOSA-N 1 0 415.563 2.453 50 0 HEAARO C[C@@H]1CCCCN1C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299769503 568874212 /nfs/dbraw/zinc/87/42/12/568874212.db2.gz RXLFVMSNABCDAN-ZHRRBRCNSA-N 1 0 403.498 2.175 50 0 HEAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C ZINC000058155754 568893109 /nfs/dbraw/zinc/89/31/09/568893109.db2.gz SNCUYUUHOFLXIJ-QGZVFWFLSA-N 1 0 412.600 2.440 50 0 HEAARO COc1ccc([C@H]2[C@@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661108 568923552 /nfs/dbraw/zinc/92/35/52/568923552.db2.gz NYHXRKIRWTWIRQ-SFTDATJTSA-N 1 0 411.502 2.292 50 0 HEAARO CC(C)N(C)Cc1nnnn1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012763927 568947133 /nfs/dbraw/zinc/94/71/33/568947133.db2.gz MQYLUOWARDUUTJ-HXUWFJFHSA-N 1 0 413.570 2.247 50 0 HEAARO CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000012776331 568954749 /nfs/dbraw/zinc/95/47/49/568954749.db2.gz FLTSBLWHENVGPV-UHFFFAOYSA-N 1 0 401.532 2.429 50 0 HEAARO O=S(=O)(c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc1)N1CCOCC1 ZINC000008063501 568971284 /nfs/dbraw/zinc/97/12/84/568971284.db2.gz ZVZUUAKFKKQPBL-GOSISDBHSA-N 1 0 420.535 2.335 50 0 HEAARO CC(=O)c1cc(CC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cs1 ZINC000670467859 568975277 /nfs/dbraw/zinc/97/52/77/568975277.db2.gz RHIWIWOQNALHJK-PHBIXPCASA-N 1 0 409.555 2.177 50 0 HEAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000008319963 568990381 /nfs/dbraw/zinc/99/03/81/568990381.db2.gz SZQMUXRNDSLWLD-SFHVURJKSA-N 1 0 419.572 2.418 50 0 HEAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000015777353 569000312 /nfs/dbraw/zinc/00/03/12/569000312.db2.gz FCSYXTXFTFUPGH-UHFFFAOYSA-N 1 0 422.599 2.120 50 0 HEAARO COc1ccc(CN2CC[N@@H+](C3CCN(C(C)=O)CC3)C[C@H]2CCO)c(C)c1C ZINC000107100715 569009210 /nfs/dbraw/zinc/00/92/10/569009210.db2.gz DDPOOZBABWBROU-JOCHJYFZSA-N 1 0 403.567 2.192 50 0 HEAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015862676 569016010 /nfs/dbraw/zinc/01/60/10/569016010.db2.gz QJAKINHEMUQQRE-UHFFFAOYSA-N 1 0 419.522 2.147 50 0 HEAARO COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCC[NH+](C)C)CC3)[nH]c2c1 ZINC000015868599 569017376 /nfs/dbraw/zinc/01/73/76/569017376.db2.gz RSQOXCOHJKGWIF-HNNXBMFYSA-N 1 0 400.523 2.343 50 0 HEAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cn2)CC1 ZINC000012918223 569022659 /nfs/dbraw/zinc/02/26/59/569022659.db2.gz FVHNCKRHSAUIOB-HNNXBMFYSA-N 1 0 413.909 2.478 50 0 HEAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015958979 569024757 /nfs/dbraw/zinc/02/47/57/569024757.db2.gz OSAQJRIZVUCEBK-XHOYROJHSA-N 1 0 417.465 2.470 50 0 biogenic HEAARO CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](C(CC)CC)N2CCOCC2)cc1 ZINC000012948071 569029269 /nfs/dbraw/zinc/02/92/69/569029269.db2.gz DVPOWDXERLZUKW-IBGZPJMESA-N 1 0 412.552 2.279 50 0 HEAARO Cc1nc(-c2ccc(S(=O)(=O)NCC3CC[NH+]([C@H]4CCOC4)CC3)cc2)co1 ZINC000575605268 569032053 /nfs/dbraw/zinc/03/20/53/569032053.db2.gz CDAVFQPASPSLIV-SFHVURJKSA-N 1 0 405.520 2.429 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375187 569033949 /nfs/dbraw/zinc/03/39/49/569033949.db2.gz NVVBORDBMCXQLB-DFHCSUQFSA-N 1 0 405.495 2.098 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000035375523 569033987 /nfs/dbraw/zinc/03/39/87/569033987.db2.gz LRBIMRVFMWSMMB-YAQJADAMSA-N 1 0 419.481 2.154 50 0 HEAARO Cn1cccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c1=O ZINC000035598034 569045776 /nfs/dbraw/zinc/04/57/76/569045776.db2.gz NZITZGGPEXQQCG-UHFFFAOYSA-N 1 0 403.486 2.355 50 0 HEAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000054224651 569061315 /nfs/dbraw/zinc/06/13/15/569061315.db2.gz MRCZQNGIAVWYJZ-AEFFLSMTSA-N 1 0 406.486 2.032 50 0 HEAARO COc1cccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)c1OC ZINC000036103586 569092178 /nfs/dbraw/zinc/09/21/78/569092178.db2.gz IQVYIHSTGMBYET-LJQANCHMSA-N 1 0 410.555 2.014 50 0 HEAARO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000064836630 569104975 /nfs/dbraw/zinc/10/49/75/569104975.db2.gz AWBPWCJGMLKBRO-UHFFFAOYSA-N 1 0 418.567 2.137 50 0 HEAARO COc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1S(=O)(=O)NC1CC1 ZINC000006983824 569195742 /nfs/dbraw/zinc/19/57/42/569195742.db2.gz RIPWNIOTCRWJPT-UHFFFAOYSA-N 1 0 417.531 2.128 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2cnn(Cc3ccccc3)c(=O)c2)CC1 ZINC000065311521 569221444 /nfs/dbraw/zinc/22/14/44/569221444.db2.gz WMWREVFNZJBUDD-UHFFFAOYSA-N 1 0 423.561 2.110 50 0 HEAARO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 ZINC000170597463 569242079 /nfs/dbraw/zinc/24/20/79/569242079.db2.gz UHIRYFKLLCIKNV-IBGZPJMESA-N 1 0 411.502 2.418 50 0 HEAARO CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000170617920 569247828 /nfs/dbraw/zinc/24/78/28/569247828.db2.gz QOXFLFADOCEOPD-GOSISDBHSA-N 1 0 405.543 2.319 50 0 HEAARO CC1(C)CC(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccccc5)C(=O)[C@H]24)O3)CC(C)(C)[NH2+]1 ZINC000013626604 569256814 /nfs/dbraw/zinc/25/68/14/569256814.db2.gz RYLNOWROVHKMPB-FLFXDLLNSA-N 1 0 409.530 2.398 50 0 HEAARO O=C(NC[C@@H](O)c1ccccc1F)[C@H]1CCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089813224 569266356 /nfs/dbraw/zinc/26/63/56/569266356.db2.gz KHDCPGCENDOWTC-QZTJIDSGSA-N 1 0 417.447 2.466 50 0 HEAARO O=C(NC[C@H](O)c1ccccc1F)[C@@H]1CCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089813222 569266369 /nfs/dbraw/zinc/26/63/69/569266369.db2.gz KHDCPGCENDOWTC-ROUUACIJSA-N 1 0 417.447 2.466 50 0 HEAARO CC(=O)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819721 569320786 /nfs/dbraw/zinc/32/07/86/569320786.db2.gz FAAGIVFQIIAOLS-HXUWFJFHSA-N 1 0 406.571 2.206 50 0 HEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404731 569365924 /nfs/dbraw/zinc/36/59/24/569365924.db2.gz DOCVFDBFTJOYLG-UNMCSNQZSA-N 1 0 423.561 2.408 50 0 HEAARO Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000078718515 569419823 /nfs/dbraw/zinc/41/98/23/569419823.db2.gz JIQIPBRQXDTMET-GOSISDBHSA-N 1 0 421.567 2.085 50 0 HEAARO CC1CC[NH+]([C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c2cccs2)CC1 ZINC000040039899 571142256 /nfs/dbraw/zinc/14/22/56/571142256.db2.gz KDAZBDVCQPRDMJ-BRWVUGGUSA-N 1 0 401.598 2.465 50 0 HEAARO CCCCc1ccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000009060337 571217241 /nfs/dbraw/zinc/21/72/41/571217241.db2.gz CURRFANAOCQNBU-UHFFFAOYSA-N 1 0 409.534 2.146 50 0 HEAARO Cc1ccc(N2CCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1C ZINC000009157062 571231917 /nfs/dbraw/zinc/23/19/17/571231917.db2.gz TYGJLHWKJMZDCU-UHFFFAOYSA-N 1 0 422.533 2.151 50 0 HEAARO Cc1ccc(N2CCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c(C)c1 ZINC000009157063 571231949 /nfs/dbraw/zinc/23/19/49/571231949.db2.gz ZKBDYEBUXOXHTB-UHFFFAOYSA-N 1 0 422.533 2.151 50 0 HEAARO COC[C@@H]1[C@H](C(=O)N2CCN(c3ncccn3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000581813286 1078779498 /nfs/dbraw/zinc/77/94/98/1078779498.db2.gz RRERDCMTDLXFJV-NHCUHLMSSA-N 1 0 409.534 2.052 50 0 HEAARO Cc1cccnc1N1CC[NH+](C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000012206195 132356768 /nfs/dbraw/zinc/35/67/68/132356768.db2.gz FHFVRKZBOYQLHZ-XMMPIXPASA-N 1 0 408.546 2.108 50 0 HEAARO Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1 ZINC000012308413 132358293 /nfs/dbraw/zinc/35/82/93/132358293.db2.gz VAAOHPBVEIRMNC-HXUWFJFHSA-N 1 0 418.969 2.430 50 0 HEAARO C[NH+](C)CC(C)(C)CNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000012308586 132358314 /nfs/dbraw/zinc/35/83/14/132358314.db2.gz RSTCQIMOQXWHFP-UHFFFAOYSA-N 1 0 417.529 2.454 50 0 HEAARO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1CCCC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012437378 132359950 /nfs/dbraw/zinc/35/99/50/132359950.db2.gz LBMOWEZVTCXNDJ-LJQANCHMSA-N 1 0 404.942 2.122 50 0 HEAARO Cc1cc(C)n(CC[NH2+]C2CCN(c3ccc(C(=O)N4CCOCC4)cc3)CC2)n1 ZINC000015067974 132461159 /nfs/dbraw/zinc/46/11/59/132461159.db2.gz DORVZQNYEATJGR-UHFFFAOYSA-N 1 0 411.550 2.231 50 0 HEAARO C[NH+]1CCN(CCNC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)CC1 ZINC000022936397 132476698 /nfs/dbraw/zinc/47/66/98/132476698.db2.gz WYTBRKLDDQHHBN-UHFFFAOYSA-N 1 0 420.561 2.068 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)c2ccsc2)CC1 ZINC000022766267 523919635 /nfs/dbraw/zinc/91/96/35/523919635.db2.gz OQLPHNATVKGAHS-QGZVFWFLSA-N 1 0 408.474 2.070 50 0 HEAARO COc1ccc(OC)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000032740431 524836685 /nfs/dbraw/zinc/83/66/85/524836685.db2.gz SWQFTDJFUMPIBJ-UHFFFAOYSA-N 1 0 406.504 2.015 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022766394 525005195 /nfs/dbraw/zinc/00/51/95/525005195.db2.gz MBAQENQYUWQUBU-IBGZPJMESA-N 1 0 400.548 2.408 50 0 HEAARO Cc1ccccc1N(CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)S(C)(=O)=O ZINC000040162013 525217397 /nfs/dbraw/zinc/21/73/97/525217397.db2.gz DPPYMHASGSIFAW-IBGZPJMESA-N 1 0 407.511 2.319 50 0 HEAARO CCCCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CC[NH2+]CC2)n1 ZINC000002495682 535296017 /nfs/dbraw/zinc/29/60/17/535296017.db2.gz BKCZECLCJIGYJF-UHFFFAOYSA-N 1 0 402.343 2.365 50 0 HEAARO COc1ccccc1N1CCN([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC000011668100 537070997 /nfs/dbraw/zinc/07/09/97/537070997.db2.gz PNHOSGSMCMTIGZ-FQEVSTJZSA-N 1 0 400.567 2.150 50 0 HEAARO CCOc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccccc1 ZINC000008254627 557778692 /nfs/dbraw/zinc/77/86/92/557778692.db2.gz BUIDCGZXNMLVQI-UHFFFAOYSA-N 1 0 411.462 2.149 50 0 HEAARO COCCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697668 557784232 /nfs/dbraw/zinc/78/42/32/557784232.db2.gz UYUIVWRHAWQPIZ-FQEVSTJZSA-N 1 0 405.926 2.499 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CC[NH+](C)CC2)cc1 ZINC000022778557 557821425 /nfs/dbraw/zinc/82/14/25/557821425.db2.gz SHZCUHHOCXMYKQ-QFIPXVFZSA-N 1 0 424.545 2.355 50 0 HEAARO C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000022778684 557821487 /nfs/dbraw/zinc/82/14/87/557821487.db2.gz YXXZAANTXFBFKZ-LAUBAEHRSA-N 1 0 412.509 2.108 50 0 HEAARO COc1cc2cc(C(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)[nH]c2cc1OC ZINC000009482650 557844038 /nfs/dbraw/zinc/84/40/38/557844038.db2.gz GNPZDCZKUPLSRM-UHFFFAOYSA-N 1 0 414.506 2.131 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2)[C@@H]1CCCO1 ZINC000019741489 558261944 /nfs/dbraw/zinc/26/19/44/558261944.db2.gz OCOMGZYIXHHSQN-NRFANRHFSA-N 1 0 419.529 2.327 50 0 HEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011818449 558281557 /nfs/dbraw/zinc/28/15/57/558281557.db2.gz LFWKUXKVMAEXRA-GOSISDBHSA-N 1 0 400.498 2.336 50 0 HEAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCNC(=O)CC1 ZINC000011820624 558283924 /nfs/dbraw/zinc/28/39/24/558283924.db2.gz VDCHJYMPRZGYSI-UHFFFAOYSA-N 1 0 408.502 2.087 50 0 HEAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCOc2cccnc2)C[C@H](C)O1 ZINC000011935110 558299084 /nfs/dbraw/zinc/29/90/84/558299084.db2.gz AOIVKLLEMLCHEA-GASCZTMLSA-N 1 0 415.519 2.209 50 0 HEAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)C3=NN(C)C(=O)CC3)C2)cc1 ZINC000011952952 558302954 /nfs/dbraw/zinc/30/29/54/558302954.db2.gz XUWKECKWBMTTIS-SFHVURJKSA-N 1 0 400.523 2.016 50 0 HEAARO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011978330 558305781 /nfs/dbraw/zinc/30/57/81/558305781.db2.gz STJFWMUEKGFAJP-AWEZNQCLSA-N 1 0 409.446 2.149 50 0 HEAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012072894 558317984 /nfs/dbraw/zinc/31/79/84/558317984.db2.gz UDMXWWGYEBUVHF-JXMROGBWSA-N 1 0 408.550 2.235 50 0 HEAARO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1NCC[NH3+] ZINC000020051705 558328645 /nfs/dbraw/zinc/32/86/45/558328645.db2.gz UKKXLHPBTURVFD-UHFFFAOYSA-N 1 0 414.535 2.298 50 0 HEAARO Cc1nc2sccn2c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020235108 558350384 /nfs/dbraw/zinc/35/03/84/558350384.db2.gz UPRGFUBZGGLTGV-IBGZPJMESA-N 1 0 405.612 2.446 50 0 HEAARO C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012202273 558351709 /nfs/dbraw/zinc/35/17/09/558351709.db2.gz XZLKMVANHJVUMG-SFHVURJKSA-N 1 0 422.529 2.428 50 0 HEAARO Cn1c(=O)c2c3c(sc2nc1N1CCN(CC[NH+]2CCCCC2)CC1)CCC3 ZINC000020648188 558397518 /nfs/dbraw/zinc/39/75/18/558397518.db2.gz RDXNZZZGBRONLP-UHFFFAOYSA-N 1 0 401.580 2.092 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)o1 ZINC000020914336 558422377 /nfs/dbraw/zinc/42/23/77/558422377.db2.gz ADPXJWVHERMAOY-GOSISDBHSA-N 1 0 403.527 2.342 50 0 HEAARO Cc1ccc(-c2nc(SCC[NH+]3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000004341330 558425004 /nfs/dbraw/zinc/42/50/04/558425004.db2.gz ZKICVTXAQRJATN-UHFFFAOYSA-N 1 0 411.531 2.191 50 0 HEAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CC[NH+](C2CCCC2)CC1 ZINC000020993910 558426549 /nfs/dbraw/zinc/42/65/49/558426549.db2.gz UKRNFLWJYRVAIR-JOCHJYFZSA-N 1 0 407.505 2.379 50 0 HEAARO COCCOC1CCN(C(=O)c2ccc(OC3CC[NH+](C)CC3)c(OC)c2)CC1 ZINC000012583264 558433334 /nfs/dbraw/zinc/43/33/34/558433334.db2.gz VPVCXTNYNXNJTC-UHFFFAOYSA-N 1 0 406.523 2.436 50 0 HEAARO COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1OC ZINC000021793630 558449250 /nfs/dbraw/zinc/44/92/50/558449250.db2.gz ZQFUIWNXEPSQQN-UHFFFAOYSA-N 1 0 411.506 2.365 50 0 HEAARO CCOC(=O)CNC(=O)N(CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012758116 558460354 /nfs/dbraw/zinc/46/03/54/558460354.db2.gz RRKPNNWKBVAELC-SFHVURJKSA-N 1 0 417.550 2.087 50 0 HEAARO CCN1CC[NH+](C2CCN(C(=O)c3cn(Cc4ccccc4Cl)nn3)CC2)CC1 ZINC000022852963 558517250 /nfs/dbraw/zinc/51/72/50/558517250.db2.gz HWVKNQSZYYVODE-UHFFFAOYSA-N 1 0 416.957 2.222 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551720 558601064 /nfs/dbraw/zinc/60/10/64/558601064.db2.gz MJXCDTOUIOPLSU-HKUYNNGSSA-N 1 0 409.486 2.057 50 0 HEAARO CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014521727 558655360 /nfs/dbraw/zinc/65/53/60/558655360.db2.gz MQADZPHWAIPKNX-FQEVSTJZSA-N 1 0 401.555 2.493 50 0 HEAARO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[NH2+]C[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000014538176 558658954 /nfs/dbraw/zinc/65/89/54/558658954.db2.gz BSCSLGSFCLMHMM-RBUKOAKNSA-N 1 0 421.497 2.385 50 0 HEAARO CCC[N@@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000014991478 558694534 /nfs/dbraw/zinc/69/45/34/558694534.db2.gz VMTQEVXGBBHSRF-WMZOPIPTSA-N 1 0 419.913 2.102 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000029066468 558709290 /nfs/dbraw/zinc/70/92/90/558709290.db2.gz HWHGPTBGFHRYBV-UHFFFAOYSA-N 1 0 417.531 2.046 50 0 HEAARO O=C(C1CC[NH+](Cc2ccccn2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015856091 558756922 /nfs/dbraw/zinc/75/69/22/558756922.db2.gz LOATWCKZWANGBM-UHFFFAOYSA-N 1 0 422.529 2.367 50 0 HEAARO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024867 558768940 /nfs/dbraw/zinc/76/89/40/558768940.db2.gz NTYZDXDWZHLFJP-WDEBQMKVSA-N 1 0 403.482 2.286 50 0 HEAARO COC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000034087021 558772630 /nfs/dbraw/zinc/77/26/30/558772630.db2.gz HPQPUHWWPCAXES-MNVSYLFESA-N 1 0 417.506 2.463 50 0 HEAARO O=C(C[NH2+]CCOc1ccccc1F)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000016695507 558801012 /nfs/dbraw/zinc/80/10/12/558801012.db2.gz YCQTVALKMACZIU-GOSISDBHSA-N 1 0 420.506 2.010 50 0 HEAARO COc1cc(OC)cc(C(=O)NCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000033024220 558841642 /nfs/dbraw/zinc/84/16/42/558841642.db2.gz NJVOVHGJQSMAFD-IBGZPJMESA-N 1 0 415.490 2.370 50 0 HEAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019148096 558847108 /nfs/dbraw/zinc/84/71/08/558847108.db2.gz SITJRXGMSWMIKX-FQEVSTJZSA-N 1 0 415.582 2.091 50 0 HEAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000058053877 558897091 /nfs/dbraw/zinc/89/70/91/558897091.db2.gz JBTGMCRTEQERAC-HNNXBMFYSA-N 1 0 410.540 2.038 50 0 HEAARO CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)c(F)c2)o1 ZINC000058155679 558902854 /nfs/dbraw/zinc/90/28/54/558902854.db2.gz JMMCXBCIRYEYNE-UHFFFAOYSA-N 1 0 424.498 2.063 50 0 HEAARO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)CCO1 ZINC000058159830 558904809 /nfs/dbraw/zinc/90/48/09/558904809.db2.gz DYULUAOVUIVYAL-LBPRGKRZSA-N 1 0 408.886 2.388 50 0 HEAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000058168306 558907749 /nfs/dbraw/zinc/90/77/49/558907749.db2.gz BYMNEDRLAOGHJP-OAQYLSRUSA-N 1 0 418.488 2.245 50 0 HEAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1)c1ccn[nH]1 ZINC000072124115 558928082 /nfs/dbraw/zinc/92/80/82/558928082.db2.gz KIJMVNUEMPWQFV-RTWAWAEBSA-N 1 0 403.486 2.496 50 0 HEAARO CN(CC[NH+](C)C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072125701 558928324 /nfs/dbraw/zinc/92/83/24/558928324.db2.gz GQZMZDHDPHXSBX-QFIPXVFZSA-N 1 0 408.546 2.064 50 0 HEAARO O[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1N1CCOCC1 ZINC000019633922 558947490 /nfs/dbraw/zinc/94/74/90/558947490.db2.gz SULRGNMNWBBLEI-GOTSBHOMSA-N 1 0 404.514 2.417 50 0 HEAARO C[NH+]1CCC(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000065362415 558973268 /nfs/dbraw/zinc/97/32/68/558973268.db2.gz GCWACMRQSOMCSK-UHFFFAOYSA-N 1 0 401.532 2.477 50 0 HEAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000065364760 558976021 /nfs/dbraw/zinc/97/60/21/558976021.db2.gz SUUPBRYMQJSLEN-INIZCTEOSA-N 1 0 401.960 2.403 50 0 HEAARO Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(F)cc2F)[nH+]1 ZINC000072437587 558980923 /nfs/dbraw/zinc/98/09/23/558980923.db2.gz NTFZARBJYPOFSN-UHFFFAOYSA-N 1 0 411.478 2.444 50 0 HEAARO CC(C)=CCn1c(=O)c2nc(C(=O)N3CC[NH2+]CC3)cn2cc1-c1cc(C)oc1C ZINC000072448146 558982638 /nfs/dbraw/zinc/98/26/38/558982638.db2.gz WNMBJVIKWKPPIX-UHFFFAOYSA-N 1 0 409.490 2.384 50 0 HEAARO C[NH+]1CCC(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000067622615 558989915 /nfs/dbraw/zinc/98/99/15/558989915.db2.gz FKKBLTPXBOFOGS-UHFFFAOYSA-N 1 0 417.531 2.455 50 0 HEAARO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000097164317 558998360 /nfs/dbraw/zinc/99/83/60/558998360.db2.gz CRRZLVCTTOYNLO-SLFFLAALSA-N 1 0 402.587 2.004 50 0 HEAARO CC(C)[C@@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc2C1 ZINC000077322699 559001450 /nfs/dbraw/zinc/00/14/50/559001450.db2.gz YYIBXTRZPLRHQN-GOSISDBHSA-N 1 0 407.561 2.095 50 0 HEAARO CC[N@@H+]1CCCN(C(=O)[C@@H]2[C@H]3C(=O)N(Cc4ccc(C)c(C)c4)C[C@@]34C=C[C@@H]2O4)CC1 ZINC000077375481 559002559 /nfs/dbraw/zinc/00/25/59/559002559.db2.gz LYGNIDUYNAQGKK-UEOMBKFZSA-N 1 0 423.557 2.140 50 0 HEAARO C[NH2+][C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077471299 559006587 /nfs/dbraw/zinc/00/65/87/559006587.db2.gz ZPFNBGUUJBZHEL-INIZCTEOSA-N 1 0 413.543 2.321 50 0 HEAARO O=C(CC(F)(F)F)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082097937 559037688 /nfs/dbraw/zinc/03/76/88/559037688.db2.gz XCCPAXATDYYEQS-INIZCTEOSA-N 1 0 412.456 2.353 50 0 HEAARO Cc1nnsc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109414 559038858 /nfs/dbraw/zinc/03/88/58/559038858.db2.gz QNGSZUVOILBGHH-SFHVURJKSA-N 1 0 414.579 2.234 50 0 HEAARO CN(CC1(CO)CCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082134838 559040024 /nfs/dbraw/zinc/04/00/24/559040024.db2.gz XMBHUAPACZLYPV-NRFANRHFSA-N 1 0 414.594 2.379 50 0 HEAARO CN(CC1(CO)CCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082134836 559040051 /nfs/dbraw/zinc/04/00/51/559040051.db2.gz XMBHUAPACZLYPV-OAQYLSRUSA-N 1 0 414.594 2.379 50 0 HEAARO Cc1ccn(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082136942 559040337 /nfs/dbraw/zinc/04/03/37/559040337.db2.gz MDXUFWJUOONCII-OAQYLSRUSA-N 1 0 410.566 2.079 50 0 HEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082147433 559040832 /nfs/dbraw/zinc/04/08/32/559040832.db2.gz WPZKUTQYKYRMNA-HXUWFJFHSA-N 1 0 408.550 2.486 50 0 HEAARO CCc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)no1 ZINC000082166959 559042004 /nfs/dbraw/zinc/04/20/04/559042004.db2.gz DSPYAKVCPIIEPA-GOSISDBHSA-N 1 0 412.538 2.020 50 0 HEAARO CN(C)C(=O)N1CC[C@]2(O)CC[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2C1 ZINC000095355741 559079928 /nfs/dbraw/zinc/07/99/28/559079928.db2.gz KFCMACKDMNSLLR-DYESRHJHSA-N 1 0 401.486 2.156 50 0 HEAARO COc1ccc(CN(C)Cc2cnn(C)c2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095510913 559083771 /nfs/dbraw/zinc/08/37/71/559083771.db2.gz OOMXETGNNJSSNB-FQEVSTJZSA-N 1 0 402.539 2.286 50 0 HEAARO C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014171391 559154903 /nfs/dbraw/zinc/15/49/03/559154903.db2.gz BXVDQWDMMIYSDQ-OAHLLOKOSA-N 1 0 412.515 2.348 50 0 HEAARO COC(=O)c1sccc1NC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000004878167 559195739 /nfs/dbraw/zinc/19/57/39/559195739.db2.gz GAQMUAFNBKQYQD-UHFFFAOYSA-N 1 0 410.565 2.037 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CC[C@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409415010 559251052 /nfs/dbraw/zinc/25/10/52/559251052.db2.gz QYJMHEORFNFIPU-UHOSZYNNSA-N 1 0 416.522 2.203 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000248239641 559269114 /nfs/dbraw/zinc/26/91/14/559269114.db2.gz NVVBORDBMCXQLB-CDLPNCNMSA-N 1 0 405.495 2.098 50 0 HEAARO C[C@H](NC(=O)N1CCN(c2ccccn2)CC1)C(=O)NCc1cccc(Cl)c1 ZINC000061722036 560538018 /nfs/dbraw/zinc/53/80/18/560538018.db2.gz PYQMLOGEPFIMNY-HNNXBMFYSA-N 1 0 401.898 2.272 50 0 HEAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)NCc3ccccc3)nc1=O)CCC2 ZINC000005254221 560551994 /nfs/dbraw/zinc/55/19/94/560551994.db2.gz ZSTSBESHUAJUGN-UHFFFAOYSA-N 1 0 414.575 2.482 50 0 HEAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3cc(C)on3)nc1=O)CCC2 ZINC000005254334 560552029 /nfs/dbraw/zinc/55/20/29/560552029.db2.gz WNRIBZZULNUJJH-UHFFFAOYSA-N 1 0 419.551 2.491 50 0 HEAARO O=c1occ(C[NH+]2CCSCC2)c([O-])c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000101407641 560794311 /nfs/dbraw/zinc/79/43/11/560794311.db2.gz DHQOJDDOQDAUGU-UHFFFAOYSA-N 1 0 401.532 2.216 50 0 HEAARO CCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000101652473 560798031 /nfs/dbraw/zinc/79/80/31/560798031.db2.gz XWSWZLZCDAZKGX-DEOSSOPVSA-N 1 0 420.513 2.496 50 0 HEAARO O=C(COc1ccccc1)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1 ZINC000101661587 560798133 /nfs/dbraw/zinc/79/81/33/560798133.db2.gz UOMLAPGCWHLPJU-UHFFFAOYSA-N 1 0 407.470 2.428 50 0 HEAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000101697507 560798366 /nfs/dbraw/zinc/79/83/66/560798366.db2.gz JOMRNSISCUZZKG-UHFFFAOYSA-N 1 0 410.562 2.281 50 0 HEAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c1=O ZINC000022697305 568415492 /nfs/dbraw/zinc/41/54/92/568415492.db2.gz DJPBZUFRQWSVPK-NRFANRHFSA-N 1 0 401.507 2.236 50 0 HEAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 ZINC000012234251 568454910 /nfs/dbraw/zinc/45/49/10/568454910.db2.gz KWSMUHBTBXWMKQ-OAHLLOKOSA-N 1 0 416.501 2.169 50 0 HEAARO CC[NH+]1CCN(c2ccc3nnc(CCc4nc(-c5ccc(F)cc5)no4)n3n2)CC1 ZINC000033279883 568513476 /nfs/dbraw/zinc/51/34/76/568513476.db2.gz DDXOEZPJXKAWMM-UHFFFAOYSA-N 1 0 422.468 2.241 50 0 HEAARO O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020379672 568602442 /nfs/dbraw/zinc/60/24/42/568602442.db2.gz VFONFGSEMATNSU-QFIPXVFZSA-N 1 0 422.529 2.100 50 0 HEAARO CC(C)(C)NC(=O)NC(=O)C[NH2+]C(C)(C)COc1ncccc1Br ZINC000095456048 568617318 /nfs/dbraw/zinc/61/73/18/568617318.db2.gz CBVZGRNIYRCNSO-UHFFFAOYSA-N 1 0 401.305 2.215 50 0 HEAARO CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(CCN2CC[NH+](C)CC2)c1 ZINC000095457792 568618710 /nfs/dbraw/zinc/61/87/10/568618710.db2.gz CKCOELGJKFFRSR-OAQYLSRUSA-N 1 0 400.567 2.452 50 0 HEAARO O=C(Cn1c(=O)cnc2ccccc21)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000095460112 568620051 /nfs/dbraw/zinc/62/00/51/568620051.db2.gz QEZFQSRUAHQEOA-UHFFFAOYSA-N 1 0 420.513 2.230 50 0 HEAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](C(C)C)[NH2+][C@]32c3ccccc3NC2=O)cc1 ZINC000020611354 568637011 /nfs/dbraw/zinc/63/70/11/568637011.db2.gz HYEGWQYYXAEAMH-PWSZPPJVSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000020610791 568637196 /nfs/dbraw/zinc/63/71/96/568637196.db2.gz GWRJPJGBVZPRFD-PWSZPPJVSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCN(c2nc(-c3ccc(OC)cc3)no2)C1 ZINC000020924009 568651329 /nfs/dbraw/zinc/65/13/29/568651329.db2.gz AJFMGXRFDATGNQ-QGZVFWFLSA-N 1 0 401.511 2.420 50 0 HEAARO c1cc(CN2CC[NH+](Cc3ccccc3)CC2)n(-c2nnc(N3CCOCC3)s2)c1 ZINC000020942900 568652860 /nfs/dbraw/zinc/65/28/60/568652860.db2.gz OYZGHBKJNLKKQB-UHFFFAOYSA-N 1 0 424.574 2.483 50 0 HEAARO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020943942 568653163 /nfs/dbraw/zinc/65/31/63/568653163.db2.gz VAFRHHPXLYAKTN-UHFFFAOYSA-N 1 0 409.534 2.489 50 0 HEAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026844 568658872 /nfs/dbraw/zinc/65/88/72/568658872.db2.gz KTMYZCOXGYMRRX-MRXNPFEDSA-N 1 0 422.599 2.120 50 0 HEAARO Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000095957702 568669552 /nfs/dbraw/zinc/66/95/52/568669552.db2.gz OSXFUJYMLYUFIR-UHFFFAOYSA-N 1 0 401.555 2.377 50 0 HEAARO COc1ccc(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)cc1F ZINC000095981027 568675415 /nfs/dbraw/zinc/67/54/15/568675415.db2.gz ZPHPFNFGAMDALX-RBUKOAKNSA-N 1 0 411.477 2.092 50 0 HEAARO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013548 568685421 /nfs/dbraw/zinc/68/54/21/568685421.db2.gz YBXGYLJQLDPEAN-ICSRJNTNSA-N 1 0 405.539 2.113 50 0 HEAARO COc1cc(COC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000021487156 568704231 /nfs/dbraw/zinc/70/42/31/568704231.db2.gz HABQIBLFPPJJFW-FQEVSTJZSA-N 1 0 416.518 2.412 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1cc(C)ccc1C ZINC000096210260 568704509 /nfs/dbraw/zinc/70/45/09/568704509.db2.gz IRAFWPIYPWVYPS-HXUWFJFHSA-N 1 0 400.523 2.064 50 0 HEAARO CCC[NH+]1CCN(C(=O)Cn2nc(C)c3sc(-c4ccccc4)nc3c2=O)CC1 ZINC000096400173 568749509 /nfs/dbraw/zinc/74/95/09/568749509.db2.gz HSHOKGPDVMEPRE-UHFFFAOYSA-N 1 0 411.531 2.383 50 0 HEAARO O=C(CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)N1CCCC1 ZINC000025127791 568750754 /nfs/dbraw/zinc/75/07/54/568750754.db2.gz WOXLLCKIALUWKF-HXUWFJFHSA-N 1 0 420.557 2.395 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC[NH+](CC)CC)c2=O ZINC000003043835 568848358 /nfs/dbraw/zinc/84/83/58/568848358.db2.gz XEOZAGUEXDMTIV-UHFFFAOYSA-N 1 0 419.595 2.472 50 0 HEAARO COC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731144 568859126 /nfs/dbraw/zinc/85/91/26/568859126.db2.gz HPQPUHWWPCAXES-JZKQVHKSSA-N 1 0 417.506 2.463 50 0 HEAARO NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000670445333 568911211 /nfs/dbraw/zinc/91/12/11/568911211.db2.gz PLIIEAPJDUYFDM-GOSISDBHSA-N 1 0 401.532 2.019 50 0 HEAARO CS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004100699 568942599 /nfs/dbraw/zinc/94/25/99/568942599.db2.gz JVEIWDCDPMYZCJ-NRFANRHFSA-N 1 0 421.607 2.119 50 0 HEAARO COc1ccc(F)c(F)c1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670458539 568944668 /nfs/dbraw/zinc/94/46/68/568944668.db2.gz UELOEBPFOZBHQE-UDOFLQGHSA-N 1 0 413.468 2.271 50 0 HEAARO CC1(C)CC(NC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC(C)(C)[NH2+]1 ZINC000012765709 568948225 /nfs/dbraw/zinc/94/82/25/568948225.db2.gz YDMPPJWEUSBPSR-UHFFFAOYSA-N 1 0 422.533 2.467 50 0 HEAARO Cc1cccc(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCC(C)C)CC2)c1 ZINC000004316449 568962046 /nfs/dbraw/zinc/96/20/46/568962046.db2.gz WIPGFAOXYYIDJT-UHFFFAOYSA-N 1 0 424.549 2.100 50 0 HEAARO COCC1CCN(S(=O)(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000670468617 568977347 /nfs/dbraw/zinc/97/73/47/568977347.db2.gz MSFARYGUTHDFBO-OAQYLSRUSA-N 1 0 409.596 2.134 50 0 HEAARO Cc1cc2n(n1)CCC(=O)N2CC(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015728771 568979029 /nfs/dbraw/zinc/97/90/29/568979029.db2.gz PUSXAWISYSIWSD-UHFFFAOYSA-N 1 0 423.561 2.389 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000012421771 568991240 /nfs/dbraw/zinc/99/12/40/568991240.db2.gz OWMDPSGCSJAQMJ-MRXNPFEDSA-N 1 0 409.552 2.084 50 0 HEAARO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH+](C)C)c2)C1 ZINC000008328574 568992706 /nfs/dbraw/zinc/99/27/06/568992706.db2.gz CAFCLGSVBUUFRR-OKILXGFUSA-N 1 0 401.960 2.298 50 0 HEAARO COC(=O)c1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104435665 569008618 /nfs/dbraw/zinc/00/86/18/569008618.db2.gz OFNLNOXQYUKMIF-JOCHJYFZSA-N 1 0 403.567 2.215 50 0 HEAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000015862665 569016004 /nfs/dbraw/zinc/01/60/04/569016004.db2.gz WIMWLDXUZLVKDS-UHFFFAOYSA-N 1 0 401.532 2.008 50 0 HEAARO C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000015864120 569016326 /nfs/dbraw/zinc/01/63/26/569016326.db2.gz FWRCQONHRVVCON-IBGZPJMESA-N 1 0 408.546 2.430 50 0 HEAARO O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035380265 569034545 /nfs/dbraw/zinc/03/45/45/569034545.db2.gz CRMZDOVWKGAVMW-FQEVSTJZSA-N 1 0 421.497 2.349 50 0 HEAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000009875304 569039238 /nfs/dbraw/zinc/03/92/38/569039238.db2.gz GHSHCBKZUDIZKK-UHFFFAOYSA-N 1 0 404.536 2.175 50 0 HEAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000242273631 569055023 /nfs/dbraw/zinc/05/50/23/569055023.db2.gz YENCCWUXGFEIHT-MOPGFXCFSA-N 1 0 405.564 2.032 50 0 HEAARO COCCOC(=O)Nc1cccc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000089314318 569058456 /nfs/dbraw/zinc/05/84/56/569058456.db2.gz DTJZBKXOKNEELT-UHFFFAOYSA-N 1 0 407.515 2.029 50 0 HEAARO COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C(=O)NCC[NH+](C)C)no2)cc1 ZINC000035989281 569074400 /nfs/dbraw/zinc/07/44/00/569074400.db2.gz NJDSPTCQJJUUKU-SFHVURJKSA-N 1 0 400.479 2.023 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991459 569074561 /nfs/dbraw/zinc/07/45/61/569074561.db2.gz FDFVGJAHPIIBSH-HXUWFJFHSA-N 1 0 400.523 2.146 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nc(-c3ccc(N4CCOCC4)cc3)no2)C1 ZINC000064746503 569088469 /nfs/dbraw/zinc/08/84/69/569088469.db2.gz LNGNRFPHGUBIDQ-QGZVFWFLSA-N 1 0 413.522 2.425 50 0 HEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nc(-c3ccc(N4CCOCC4)cc3)no2)C1 ZINC000064746504 569088535 /nfs/dbraw/zinc/08/85/35/569088535.db2.gz LNGNRFPHGUBIDQ-KRWDZBQOSA-N 1 0 413.522 2.425 50 0 HEAARO CCc1nn(CC(=O)NCCC[NH+]2CCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000006749450 569109095 /nfs/dbraw/zinc/10/90/95/569109095.db2.gz QRAZUVMUKJBESY-UHFFFAOYSA-N 1 0 401.536 2.184 50 0 HEAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[N@H+]1CCCC[C@@H]1C)c2=O ZINC000064970750 569138813 /nfs/dbraw/zinc/13/88/13/569138813.db2.gz CFGCMCPFLIRTTI-INIZCTEOSA-N 1 0 422.533 2.190 50 0 HEAARO Cc1c2c(nn1-c1ccccc1)c(C)nn(CC(=O)NCC[N@H+]1CCCC[C@H]1C)c2=O ZINC000064970751 569138848 /nfs/dbraw/zinc/13/88/48/569138848.db2.gz CFGCMCPFLIRTTI-MRXNPFEDSA-N 1 0 422.533 2.190 50 0 HEAARO CSc1nc2nc(C)c(CCC(=O)NCC[N@H+]3C[C@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000036397042 569170172 /nfs/dbraw/zinc/17/01/72/569170172.db2.gz VNCKXTJNNVWGHV-OKILXGFUSA-N 1 0 404.584 2.490 50 0 HEAARO C[NH+](C)CCCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O ZINC000065172552 569189815 /nfs/dbraw/zinc/18/98/15/569189815.db2.gz NWIZVZDWWRQGGY-UHFFFAOYSA-N 1 0 405.502 2.374 50 0 HEAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226419 569199871 /nfs/dbraw/zinc/19/98/71/569199871.db2.gz FRZSQAFNHQFPGY-UHFFFAOYSA-N 1 0 400.571 2.285 50 0 HEAARO CCNC(=O)Nc1ccc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000065245786 569205456 /nfs/dbraw/zinc/20/54/56/569205456.db2.gz UAZNARJUAZJPFO-UHFFFAOYSA-N 1 0 411.506 2.383 50 0 HEAARO CCOC(=O)N1CCN(C(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255906 569208010 /nfs/dbraw/zinc/20/80/10/569208010.db2.gz CTMBTTMFXMOMSI-HXUWFJFHSA-N 1 0 423.517 2.147 50 0 HEAARO CC(=[NH2+])Nc1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000526052646 569239915 /nfs/dbraw/zinc/23/99/15/569239915.db2.gz QXKVLLUPDUXPPS-OAHLLOKOSA-N 1 0 409.494 2.349 50 0 HEAARO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCc1cc(-c2ccccc2)no1 ZINC000170598340 569242365 /nfs/dbraw/zinc/24/23/65/569242365.db2.gz PROBEOSYVKJBKR-UHFFFAOYSA-N 1 0 403.508 2.195 50 0 HEAARO CCN(CC)C(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000252477349 569288317 /nfs/dbraw/zinc/28/83/17/569288317.db2.gz MKXJLSLUFDCLST-YSIASYRMSA-N 1 0 408.587 2.044 50 0 HEAARO CS[C@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@H]1[NH+]1CCCC1 ZINC000252486464 569289312 /nfs/dbraw/zinc/28/93/12/569289312.db2.gz KJBAEFFVLSRNCH-RCJHGTSTSA-N 1 0 400.610 2.223 50 0 HEAARO COc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000007818170 569312816 /nfs/dbraw/zinc/31/28/16/569312816.db2.gz OPPMZYGHMDSNPK-SFHVURJKSA-N 1 0 417.531 2.169 50 0 HEAARO CC(=O)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819739 569320702 /nfs/dbraw/zinc/32/07/02/569320702.db2.gz GSNRFEKLWZGCHK-QFIPXVFZSA-N 1 0 413.562 2.324 50 0 HEAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(C(C)C)CC1)CCO2 ZINC000581820195 569321181 /nfs/dbraw/zinc/32/11/81/569321181.db2.gz XJFZMKIPQHVQNT-LJQANCHMSA-N 1 0 404.555 2.471 50 0 HEAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32c3cc(C)ccc3NC2=O)cc1 ZINC000002333094 569375868 /nfs/dbraw/zinc/37/58/68/569375868.db2.gz UQCYHMBLCNISLO-VKDGWMQASA-N 1 0 417.465 2.435 50 0 HEAARO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000079060489 569426278 /nfs/dbraw/zinc/42/62/78/569426278.db2.gz CLUSYRRYHOJAKQ-GFCCVEGCSA-N 1 0 409.346 2.093 50 0 HEAARO CC[NH+](CC)CCn1c(C)c(C)n2c1nc1c2c(=O)n(Cc2ccccc2)c(=O)n1C ZINC000008706249 571103838 /nfs/dbraw/zinc/10/38/38/571103838.db2.gz VYZRKPKJDRKADN-UHFFFAOYSA-N 1 0 422.533 2.156 50 0 HEAARO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040088173 571158608 /nfs/dbraw/zinc/15/86/08/571158608.db2.gz XFNGIYKRMGJZOY-HNNXBMFYSA-N 1 0 407.561 2.196 50 0 HEAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1cnc2sccn2c1=O ZINC000040107642 571167792 /nfs/dbraw/zinc/16/77/92/571167792.db2.gz AUPDWFRGQYHIKH-UHFFFAOYSA-N 1 0 400.504 2.407 50 0 HEAARO CC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NCC[N@@H+]1CCc3ccccc3C1)CCO2 ZINC000581786397 1078766529 /nfs/dbraw/zinc/76/65/29/1078766529.db2.gz VASKMIJLKDOWAY-HXUWFJFHSA-N 1 0 413.562 2.359 50 0 HEAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000004738688 132286397 /nfs/dbraw/zinc/28/63/97/132286397.db2.gz VERTZIHUFUOUNW-HXUWFJFHSA-N 1 0 423.517 2.383 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1 ZINC000011698005 132350182 /nfs/dbraw/zinc/35/01/82/132350182.db2.gz KQQUQIBDRWVFMT-UHFFFAOYSA-N 1 0 410.503 2.435 50 0 HEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000011853365 132351492 /nfs/dbraw/zinc/35/14/92/132351492.db2.gz IRLDHNCIXDLTHZ-FQEVSTJZSA-N 1 0 406.530 2.368 50 0 HEAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CCn3cccn3)CC2)cc1 ZINC000012150031 132355246 /nfs/dbraw/zinc/35/52/46/132355246.db2.gz FVWHKJUWPHLNDN-UHFFFAOYSA-N 1 0 404.518 2.467 50 0 HEAARO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000020531862 519520806 /nfs/dbraw/zinc/52/08/06/519520806.db2.gz HCESNTVZVVVCCP-HZPDHXFCSA-N 1 0 405.539 2.010 50 0 biogenic HEAARO CC(C)CC(=O)Nc1nc(C(=O)N2CCN(CC[NH+]3CCCCC3)CC2)cs1 ZINC000040355323 519609029 /nfs/dbraw/zinc/60/90/29/519609029.db2.gz RWHDYJKEHUTMBQ-UHFFFAOYSA-N 1 0 407.584 2.371 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000020566725 520562844 /nfs/dbraw/zinc/56/28/44/520562844.db2.gz JZVXWJKGRYEPKY-CMCWBKRRSA-N 1 0 403.482 2.450 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(I)c2)CC1 ZINC000041443386 521680779 /nfs/dbraw/zinc/68/07/79/521680779.db2.gz DOIZBWANWKHIDP-UHFFFAOYSA-N 1 0 401.292 2.049 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020559361 521681600 /nfs/dbraw/zinc/68/16/00/521681600.db2.gz RNQVBFYPGNNLPA-UHFFFAOYSA-N 1 0 406.534 2.420 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(N)=O)cc2C)CC1 ZINC000032843060 521698921 /nfs/dbraw/zinc/69/89/21/521698921.db2.gz TWJKJIJUAFGVCS-HXUWFJFHSA-N 1 0 409.534 2.355 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766391 523920503 /nfs/dbraw/zinc/92/05/03/523920503.db2.gz UWGDEAZMGNKUQB-QGZVFWFLSA-N 1 0 406.939 2.445 50 0 HEAARO Cc1cccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)c1 ZINC000045944326 524792290 /nfs/dbraw/zinc/79/22/90/524792290.db2.gz PPEXCXADORMKJE-UHFFFAOYSA-N 1 0 415.559 2.050 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)[NH+](C)C)cc1 ZINC000044901229 525179623 /nfs/dbraw/zinc/17/96/23/525179623.db2.gz PDOSIMRWWXJAIC-LJQANCHMSA-N 1 0 423.473 2.411 50 0 HEAARO Cc1oc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1 ZINC000042381394 526759796 /nfs/dbraw/zinc/75/97/96/526759796.db2.gz JNKJSDFJZZPIBL-GOSISDBHSA-N 1 0 417.531 2.377 50 0 HEAARO CCOc1ccc2nc(N3CCC([NH2+][C@H]4CCS(=O)(=O)C4)CC3)nc(C)c2c1 ZINC000012212277 535442982 /nfs/dbraw/zinc/44/29/82/535442982.db2.gz BPMXNUMQSSNLGM-INIZCTEOSA-N 1 0 404.536 2.082 50 0 HEAARO O[C@@H](C[NH2+]C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000003798603 557498736 /nfs/dbraw/zinc/49/87/36/557498736.db2.gz KOHIRBRYDXPAMZ-YHDSQAASSA-N 1 0 405.441 2.364 50 0 world HEAARO C[NH+](C)[C@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1 ZINC000022682539 557766930 /nfs/dbraw/zinc/76/69/30/557766930.db2.gz KNMYVSLGRAAVRE-MRXNPFEDSA-N 1 0 413.540 2.012 50 0 HEAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)CC1 ZINC000019771048 558279781 /nfs/dbraw/zinc/27/97/81/558279781.db2.gz OBSAWMCJIMPABH-RTBURBONSA-N 1 0 414.502 2.035 50 0 HEAARO NC(=O)C1(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000011840506 558286651 /nfs/dbraw/zinc/28/66/51/558286651.db2.gz RAYHCMJAZWCGLZ-IBGZPJMESA-N 1 0 417.525 2.311 50 0 HEAARO C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000011882003 558295566 /nfs/dbraw/zinc/29/55/66/558295566.db2.gz MZTUUUQFQXUXBI-QGZVFWFLSA-N 1 0 421.501 2.298 50 0 HEAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012053779 558315168 /nfs/dbraw/zinc/31/51/68/558315168.db2.gz ZIWGIAOYJLXTHM-NRFANRHFSA-N 1 0 400.519 2.099 50 0 HEAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000012150371 558338899 /nfs/dbraw/zinc/33/88/99/558338899.db2.gz DQQHDMPPLCVEFF-IETCZJMGSA-N 1 0 409.534 2.077 50 0 HEAARO CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000012163984 558342237 /nfs/dbraw/zinc/34/22/37/558342237.db2.gz BFOUIMGYGDUJBA-OAHLLOKOSA-N 1 0 401.511 2.016 50 0 HEAARO CC(=O)N[C@@H](C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)C(C)C ZINC000012193553 558348663 /nfs/dbraw/zinc/34/86/63/558348663.db2.gz XYILEGXXRUKMQN-NHCUHLMSSA-N 1 0 401.551 2.477 50 0 HEAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CC[NH+](CC)CC3)c21 ZINC000020262824 558352384 /nfs/dbraw/zinc/35/23/84/558352384.db2.gz GQUNRLDTMHQIGR-UHFFFAOYSA-N 1 0 416.522 2.248 50 0 HEAARO c1ccc(CNc2nc3nonc3nc2N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000020451314 558365785 /nfs/dbraw/zinc/36/57/85/558365785.db2.gz GCAYCQQTYOZWSG-UHFFFAOYSA-N 1 0 409.494 2.174 50 0 HEAARO CC(C)[NH+]1CCC(N2CCN(Cc3nc(-c4ccccc4)no3)C[C@@H]2CCO)CC1 ZINC000020534203 558385545 /nfs/dbraw/zinc/38/55/45/558385545.db2.gz QRIMPTZRFRETFP-NRFANRHFSA-N 1 0 413.566 2.478 50 0 HEAARO Cc1cccn2c(C[NH2+]C[C@@H](C)Oc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000012433673 558407560 /nfs/dbraw/zinc/40/75/60/558407560.db2.gz RQXLDTFGSROPNH-QGZVFWFLSA-N 1 0 409.490 2.067 50 0 HEAARO O=C(c1nc2ccccn2c1CN1CCOCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020820840 558416744 /nfs/dbraw/zinc/41/67/44/558416744.db2.gz LPOAEQCJNGAKAJ-UHFFFAOYSA-N 1 0 411.550 2.257 50 0 HEAARO CCOC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)CC1 ZINC000012458031 558418001 /nfs/dbraw/zinc/41/80/01/558418001.db2.gz RQHFHXQRCOALQO-INIZCTEOSA-N 1 0 419.526 2.116 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc3ccccc31)CC2)[C@@H]1CCCO1 ZINC000020909621 558421819 /nfs/dbraw/zinc/42/18/19/558421819.db2.gz KTDVMZBCPDMGAU-NRFANRHFSA-N 1 0 419.529 2.327 50 0 HEAARO CC[NH+]1CCN(CC(=O)N2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)CC1 ZINC000020913262 558422364 /nfs/dbraw/zinc/42/23/64/558422364.db2.gz PVPIXRSJBVCBST-UHFFFAOYSA-N 1 0 418.557 2.098 50 0 HEAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)CCN3CCOCC3)C2)cc1 ZINC000012475727 558422514 /nfs/dbraw/zinc/42/25/14/558422514.db2.gz CPIZSCGLBYMWTL-NRFANRHFSA-N 1 0 403.567 2.130 50 0 HEAARO CCN1C(=O)C(=C(C)NC[C@H](c2ccc(OC)cc2)[NH+](C)C)C(=O)N(CC)C1=S ZINC000021577264 558441961 /nfs/dbraw/zinc/44/19/61/558441961.db2.gz NJNUKJBVJFLPLS-QGZVFWFLSA-N 1 0 418.563 2.157 50 0 HEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000012748669 558458900 /nfs/dbraw/zinc/45/89/00/558458900.db2.gz OFRCAMZKDNYXRX-QFIPXVFZSA-N 1 0 400.498 2.288 50 0 HEAARO COc1ccc([C@@H](C[NH2+]C[C@@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000022034595 558459328 /nfs/dbraw/zinc/45/93/28/558459328.db2.gz OXBVTFZPCZPEAI-NFBKMPQASA-N 1 0 400.519 2.406 50 0 HEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)nc3n(c4=O)CCC3)cc2)CC1 ZINC000013100453 558514441 /nfs/dbraw/zinc/51/44/41/558514441.db2.gz CSVAMFMYRVQPDB-UHFFFAOYSA-N 1 0 403.486 2.347 50 0 HEAARO COc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)CC2=O)c1 ZINC000023025036 558530745 /nfs/dbraw/zinc/53/07/45/558530745.db2.gz RNOMYYHJZUQIDS-QGZVFWFLSA-N 1 0 408.502 2.439 50 0 HEAARO COc1ccc(C(=O)NCC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000023740147 558572763 /nfs/dbraw/zinc/57/27/63/558572763.db2.gz WMZXQWLXGGACDT-LJQANCHMSA-N 1 0 411.502 2.387 50 0 HEAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@H](C)CO)CC3)cc1 ZINC000014749704 558670412 /nfs/dbraw/zinc/67/04/12/558670412.db2.gz YHQYSHCBOOMELO-GOSISDBHSA-N 1 0 417.550 2.373 50 0 HEAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCCN1CCOCC1)C2 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DPGLWNVTZMVAJH-INIZCTEOSA-N 1 0 422.522 2.256 50 0 HEAARO COc1cccc([C@]2(CC(=O)N3CCCCCC3)CC(=O)N(CC[NH+](C)C)C2=O)c1 ZINC000014987032 558693023 /nfs/dbraw/zinc/69/30/23/558693023.db2.gz MUFQBUTYODLAKA-QHCPKHFHSA-N 1 0 415.534 2.046 50 0 HEAARO COc1ccc(S(=O)(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000029231190 558712039 /nfs/dbraw/zinc/71/20/39/558712039.db2.gz MTJRDHKZCYIJQE-UHFFFAOYSA-N 1 0 403.548 2.181 50 0 HEAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccc4c(c3)no[n+]4[O-])C2)CC1 ZINC000015073807 558714420 /nfs/dbraw/zinc/71/44/20/558714420.db2.gz NQLRNZTWDYGUCC-LJQANCHMSA-N 1 0 421.501 2.196 50 0 HEAARO COc1cc(CN(C)Cc2ccno2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000015078519 558717646 /nfs/dbraw/zinc/71/76/46/558717646.db2.gz CAXGJQJDZRATNA-QGZVFWFLSA-N 1 0 407.536 2.104 50 0 HEAARO COC(=O)CSc1nn2c(nc3c(c2=O)C[N@H+](CCc2ccccc2)CC3)s1 ZINC000015414143 558738801 /nfs/dbraw/zinc/73/88/01/558738801.db2.gz SMFNDVXKKAEXTL-UHFFFAOYSA-N 1 0 416.528 2.017 50 0 HEAARO C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022218 558768101 /nfs/dbraw/zinc/76/81/01/558768101.db2.gz SXVOGORCJGPMFL-GESWCBNOSA-N 1 0 409.873 2.323 50 0 HEAARO O=C(CN1C[C@@H](O)[C@@H]([NH+]2CCCC2)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000072308556 558769748 /nfs/dbraw/zinc/76/97/48/558769748.db2.gz CHJKWUIGTDHSGX-FCHUYYIVSA-N 1 0 413.587 2.460 50 0 HEAARO CC(C)[C@@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc2c(c1)OCCCO2 ZINC000072308784 558771055 /nfs/dbraw/zinc/77/10/55/558771055.db2.gz GUZCLJFXEOUDHR-HSZRJFAPSA-N 1 0 419.566 2.051 50 0 HEAARO C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 ZINC000017028672 558812441 /nfs/dbraw/zinc/81/24/41/558812441.db2.gz NEMLDXOKRDIZGR-CVDCTZTESA-N 1 0 404.470 2.468 50 0 HEAARO CN(C)c1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)c1 ZINC000033032433 558856872 /nfs/dbraw/zinc/85/68/72/558856872.db2.gz CJJNPNMGEYDUAB-UHFFFAOYSA-N 1 0 414.937 2.480 50 0 HEAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(-c2cn(-c3ccccc3)cn2)cc1 ZINC000067973757 558862253 /nfs/dbraw/zinc/86/22/53/558862253.db2.gz IAPLMDRWCKPEEC-NQIIRXRSSA-N 1 0 403.486 2.217 50 0 HEAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+](C)CCCN1CCOCC1 ZINC000019300400 558866108 /nfs/dbraw/zinc/86/61/08/558866108.db2.gz DXGJUTVGULPHHG-UHFFFAOYSA-N 1 0 401.555 2.361 50 0 HEAARO CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)cc(C(C)C)nc21 ZINC000058049052 558896664 /nfs/dbraw/zinc/89/66/64/558896664.db2.gz OCVYDRCJJJVZPA-OAHLLOKOSA-N 1 0 415.538 2.078 50 0 HEAARO O=C(c1cnc2ccccn12)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762011 558910381 /nfs/dbraw/zinc/91/03/81/558910381.db2.gz HOAHQYPFKVLMGS-GOSISDBHSA-N 1 0 409.534 2.273 50 0 HEAARO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(-n4cncn4)nc3)CC2)c1 ZINC000058297418 558917351 /nfs/dbraw/zinc/91/73/51/558917351.db2.gz DBZYCMZWTMMPHQ-UHFFFAOYSA-N 1 0 420.521 2.305 50 0 HEAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064800393 558966087 /nfs/dbraw/zinc/96/60/87/558966087.db2.gz ZJAHQATWWVBWGZ-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000065362490 558973283 /nfs/dbraw/zinc/97/32/83/558973283.db2.gz WNYUUIWEEZZACN-MRXNPFEDSA-N 1 0 409.552 2.160 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065363598 558974563 /nfs/dbraw/zinc/97/45/63/558974563.db2.gz ARFXCBIQDIPUQV-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO Cc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000065365620 558976687 /nfs/dbraw/zinc/97/66/87/558976687.db2.gz RKNBMZFMSPHDKU-UHFFFAOYSA-N 1 0 401.532 2.401 50 0 HEAARO C[N@H+](CCCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC1=O)C1CCCCC1 ZINC000072439818 558981439 /nfs/dbraw/zinc/98/14/39/558981439.db2.gz CQJSIKDVGRTLES-UHFFFAOYSA-N 1 0 403.527 2.491 50 0 HEAARO Cc1cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000067601900 558987697 /nfs/dbraw/zinc/98/76/97/558987697.db2.gz UHALGKGKBDTJDX-UHFFFAOYSA-N 1 0 418.448 2.254 50 0 HEAARO Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000067622823 558990053 /nfs/dbraw/zinc/99/00/53/558990053.db2.gz IHYHDMDBGMMFBB-UHFFFAOYSA-N 1 0 401.536 2.205 50 0 HEAARO O=C(NCC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082098003 559037751 /nfs/dbraw/zinc/03/77/51/559037751.db2.gz IIFURDAFTCZTRX-OAQYLSRUSA-N 1 0 414.594 2.427 50 0 HEAARO CCn1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000082107581 559038388 /nfs/dbraw/zinc/03/83/88/559038388.db2.gz CZTPZQUGKDPKAO-OAQYLSRUSA-N 1 0 410.566 2.291 50 0 HEAARO Cc1nn(C)cc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082108926 559038832 /nfs/dbraw/zinc/03/88/32/559038832.db2.gz RNADMWGTXSVOKW-FQEVSTJZSA-N 1 0 410.566 2.116 50 0 HEAARO Cc1ncc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082121533 559039543 /nfs/dbraw/zinc/03/95/43/559039543.db2.gz SPUXPBCSKGHPGZ-HXUWFJFHSA-N 1 0 408.550 2.173 50 0 HEAARO Cc1c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160400 559041787 /nfs/dbraw/zinc/04/17/87/559041787.db2.gz MOISYXIAJMNARD-FQEVSTJZSA-N 1 0 410.566 2.116 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000409415011 559251014 /nfs/dbraw/zinc/25/10/14/559251014.db2.gz QYJMHEORFNFIPU-WDSOQIARSA-N 1 0 416.522 2.203 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345750 560569963 /nfs/dbraw/zinc/56/99/63/560569963.db2.gz RGQPXDXCEJXXTL-GRXQJBFDSA-N 1 0 419.909 2.143 50 0 HEAARO C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000017363128 560712742 /nfs/dbraw/zinc/71/27/42/560712742.db2.gz IHRCOYIRCCNSOX-INIZCTEOSA-N 1 0 419.522 2.273 50 0 HEAARO CN(C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000005668683 560749947 /nfs/dbraw/zinc/74/99/47/560749947.db2.gz HVNFVVVLSLNAAQ-UHFFFAOYSA-N 1 0 401.532 2.331 50 0 HEAARO COC(=O)C1C(CN2CC[NH+](CC(C)C)CC2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000051318434 560858533 /nfs/dbraw/zinc/85/85/33/560858533.db2.gz GLWPOJMGPRCYEJ-HXUWFJFHSA-N 1 0 400.523 2.050 50 0 HEAARO CCC[NH+]1CCN(CC2=NC(=O)N[C@H](c3ccc(C)cc3)C2C(=O)OCC)CC1 ZINC000051318481 560858685 /nfs/dbraw/zinc/85/86/85/560858685.db2.gz ZPGFYUBLBQRCQB-HXUWFJFHSA-N 1 0 400.523 2.194 50 0 HEAARO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000108503119 568418977 /nfs/dbraw/zinc/41/89/77/568418977.db2.gz CRRZLVCTTOYNLO-HSALFYBXSA-N 1 0 402.587 2.004 50 0 HEAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000048189529 568432470 /nfs/dbraw/zinc/43/24/70/568432470.db2.gz PIKLSHLDKMQVRC-UHFFFAOYSA-N 1 0 408.861 2.289 50 0 HEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000048310472 568436699 /nfs/dbraw/zinc/43/66/99/568436699.db2.gz MWSJDPNBNNNLQJ-HDICACEKSA-N 1 0 421.607 2.452 50 0 HEAARO CC[NH+](CC)CC1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000048333370 568439515 /nfs/dbraw/zinc/43/95/15/568439515.db2.gz QIABYCKERJQIGM-OAQYLSRUSA-N 1 0 414.554 2.354 50 0 HEAARO COCCn1nc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1=O ZINC000048361897 568441672 /nfs/dbraw/zinc/44/16/72/568441672.db2.gz HDRUINQILHTEDG-HDICACEKSA-N 1 0 412.534 2.298 50 0 HEAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000020415996 568606159 /nfs/dbraw/zinc/60/61/59/568606159.db2.gz TYRNNLXYQKYMCZ-UHFFFAOYSA-N 1 0 406.534 2.339 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(C)cc32)CC1 ZINC000020466112 568610321 /nfs/dbraw/zinc/61/03/21/568610321.db2.gz YWWPYKCJOQGVEY-IBGZPJMESA-N 1 0 416.566 2.033 50 0 HEAARO Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)(C)CC[NH+]3CCN(C)CC3)C2)cc1 ZINC000225393095 568633692 /nfs/dbraw/zinc/63/36/92/568633692.db2.gz WGLNHJOLUZBBJB-OAQYLSRUSA-N 1 0 414.594 2.380 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](CC(C)C)N3)CC1 ZINC000020682689 568640118 /nfs/dbraw/zinc/64/01/18/568640118.db2.gz DVHDGKCNXRFNDV-FQEVSTJZSA-N 1 0 401.555 2.223 50 0 HEAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026810 568658892 /nfs/dbraw/zinc/65/88/92/568658892.db2.gz MEBKPRJPKFSJCR-MRXNPFEDSA-N 1 0 422.599 2.120 50 0 HEAARO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971977 568671614 /nfs/dbraw/zinc/67/16/14/568671614.db2.gz XFBPMFNMJDXQEM-AWEZNQCLSA-N 1 0 421.441 2.358 50 0 HEAARO O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096117312 568696584 /nfs/dbraw/zinc/69/65/84/568696584.db2.gz LKTOUCSHLGIWDX-FQEVSTJZSA-N 1 0 424.476 2.047 50 0 HEAARO O=C(CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1 ZINC000021534358 568711654 /nfs/dbraw/zinc/71/16/54/568711654.db2.gz YLWSHANCHLMYMY-UHFFFAOYSA-N 1 0 421.950 2.353 50 0 HEAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397700 568746297 /nfs/dbraw/zinc/74/62/97/568746297.db2.gz BLVRGTZHDKDGAO-UHFFFAOYSA-N 1 0 420.448 2.300 50 0 HEAARO Cc1nn(CC(=O)NCCC[NH+]2CCCC2)c(=O)c2nc(-c3ccccc3)sc21 ZINC000096400178 568749517 /nfs/dbraw/zinc/74/95/17/568749517.db2.gz HWXXBFVLBXHFCF-UHFFFAOYSA-N 1 0 411.531 2.431 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC000021763080 568752273 /nfs/dbraw/zinc/75/22/73/568752273.db2.gz MVBDNLAQBSUFEO-KRWDZBQOSA-N 1 0 409.577 2.452 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579226 568770493 /nfs/dbraw/zinc/77/04/93/568770493.db2.gz DVNDYLIAXASXDZ-OAQYLSRUSA-N 1 0 410.518 2.047 50 0 HEAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582838 568770940 /nfs/dbraw/zinc/77/09/40/568770940.db2.gz DICLFCOSZDFPEZ-NRFANRHFSA-N 1 0 424.545 2.355 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582896 568771073 /nfs/dbraw/zinc/77/10/73/568771073.db2.gz LOYNHUJRJWPOHC-UGKGYDQZSA-N 1 0 408.546 2.277 50 0 HEAARO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N1CC2 ZINC000002468426 568772920 /nfs/dbraw/zinc/77/29/20/568772920.db2.gz QTQXEGNQRSHSGD-YADHBBJMSA-N 1 0 423.513 2.218 50 0 HEAARO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000057414198 568833313 /nfs/dbraw/zinc/83/33/13/568833313.db2.gz RZXRWTRMWNYTDK-OAQYLSRUSA-N 1 0 412.534 2.418 50 0 HEAARO CCOC(=O)C1=C(C[NH2+]CCCC(=O)OC)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000057531523 568852392 /nfs/dbraw/zinc/85/23/92/568852392.db2.gz SBYDOMVEVJSNMK-SFHVURJKSA-N 1 0 421.519 2.122 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057851660 568863392 /nfs/dbraw/zinc/86/33/92/568863392.db2.gz KLJWWEXWEOCRNI-QGZVFWFLSA-N 1 0 417.531 2.305 50 0 HEAARO NC(=O)[C@@H]1CC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)=NN1c1ccccc1 ZINC000057991321 568873136 /nfs/dbraw/zinc/87/31/36/568873136.db2.gz ZEHBMWWUZJHNST-IRLDBZIGSA-N 1 0 419.529 2.278 50 0 HEAARO Cc1ccccc1C[N@H+]1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1 ZINC000299785437 568875477 /nfs/dbraw/zinc/87/54/77/568875477.db2.gz ZLAGYRJZSLWNKI-UHFFFAOYSA-N 1 0 411.531 2.123 50 0 HEAARO CSCCC[NH+]1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 ZINC000299786401 568875671 /nfs/dbraw/zinc/87/56/71/568875671.db2.gz TVFOBIYLGBHAOF-UHFFFAOYSA-N 1 0 413.547 2.054 50 0 HEAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCn2ccnc2)CC1 ZINC000299795689 568876299 /nfs/dbraw/zinc/87/62/99/568876299.db2.gz MIKCOXNTSODMRO-OAQYLSRUSA-N 1 0 416.497 2.183 50 0 HEAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cc(F)c(F)cc1F ZINC000670438246 568883580 /nfs/dbraw/zinc/88/35/80/568883580.db2.gz ORGDTAHFBRXDDS-HXYQTYRISA-N 1 0 401.432 2.401 50 0 HEAARO C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)n1cnc2ccccc21 ZINC000083888526 568922931 /nfs/dbraw/zinc/92/29/31/568922931.db2.gz BAPXQZCYOSQUOJ-SFHVURJKSA-N 1 0 411.550 2.438 50 0 HEAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000003657266 568923050 /nfs/dbraw/zinc/92/30/50/568923050.db2.gz AQSGOOFHJWXOPI-RTWAWAEBSA-N 1 0 413.493 2.431 50 0 HEAARO COc1ccc([C@@H]2[C@@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661110 568923605 /nfs/dbraw/zinc/92/36/05/568923605.db2.gz NYHXRKIRWTWIRQ-LEWJYISDSA-N 1 0 411.502 2.292 50 0 HEAARO O=C(CN1CCN(c2ncccn2)CC1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670461418 568951609 /nfs/dbraw/zinc/95/16/09/568951609.db2.gz VSOHPYSETDPTIA-JOCHJYFZSA-N 1 0 422.577 2.332 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671275 568961624 /nfs/dbraw/zinc/96/16/24/568961624.db2.gz NYQDMZVQKXALHC-UHFFFAOYSA-N 1 0 401.536 2.286 50 0 HEAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)CC1 ZINC000004316500 568962133 /nfs/dbraw/zinc/96/21/33/568962133.db2.gz RHNADGIDIZOAHT-UHFFFAOYSA-N 1 0 424.549 2.092 50 0 HEAARO O=S(=O)(c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1)N1CCOCC1 ZINC000007980178 568963421 /nfs/dbraw/zinc/96/34/21/568963421.db2.gz HZUNBGRHLSDHDA-FQEVSTJZSA-N 1 0 416.547 2.352 50 0 HEAARO O=C(CCc1nnc2ccc(N3CCCC3)nn21)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000015678738 568966521 /nfs/dbraw/zinc/96/65/21/568966521.db2.gz GPJWJEZVLWUETN-KRWDZBQOSA-N 1 0 411.554 2.038 50 0 HEAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000015773274 568998756 /nfs/dbraw/zinc/99/87/56/568998756.db2.gz BXBBZVUFEVNYGJ-HSZRJFAPSA-N 1 0 424.520 2.432 50 0 HEAARO O=S(=O)(c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1)N1CCOCC1 ZINC000012850416 569010380 /nfs/dbraw/zinc/01/03/80/569010380.db2.gz ADZXHAQKWDXVFH-KRWDZBQOSA-N 1 0 422.576 2.413 50 0 HEAARO CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)c1 ZINC000015864159 569016468 /nfs/dbraw/zinc/01/64/68/569016468.db2.gz BEQUKDNZQMHUDS-UHFFFAOYSA-N 1 0 408.502 2.028 50 0 HEAARO Cc1noc(C)c1S(=O)(=O)NCCNc1cc(Nc2cc(C)ccn2)nc(C)n1 ZINC000090607978 569042147 /nfs/dbraw/zinc/04/21/47/569042147.db2.gz PQEJAUORCOMRPW-UHFFFAOYSA-N 1 0 417.495 2.227 50 0 HEAARO CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCCCC3)n2C)c1 ZINC000035561179 569045018 /nfs/dbraw/zinc/04/50/18/569045018.db2.gz CWRAYEFMRSNNLK-UHFFFAOYSA-N 1 0 406.552 2.034 50 0 HEAARO CCC(CC)[C@@H](CNC(=O)CN1c2ccccc2OCCC1=O)[NH+]1CCOCC1 ZINC000012997809 569048359 /nfs/dbraw/zinc/04/83/59/569048359.db2.gz OMOSOCMDLDGFDY-LJQANCHMSA-N 1 0 403.523 2.055 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccccc1-n1nnnc1C ZINC000524730250 569051699 /nfs/dbraw/zinc/05/16/99/569051699.db2.gz BGSWAJQPVBIKKV-AZUAARDMSA-N 1 0 412.538 2.324 50 0 HEAARO COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)c1 ZINC000245226054 569055169 /nfs/dbraw/zinc/05/51/69/569055169.db2.gz GMNXXRIOIFEQEK-RTXPOLOASA-N 1 0 403.438 2.126 50 0 HEAARO C[C@@H]1Cn2c3c(nc2N(c2ccccc2)C1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000006571805 569066659 /nfs/dbraw/zinc/06/66/59/569066659.db2.gz AKEUOHZYTLAVGQ-KRWDZBQOSA-N 1 0 422.533 2.170 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccccc1Cl ZINC000035991507 569074571 /nfs/dbraw/zinc/07/45/71/569074571.db2.gz NKNXHACNPBJEDA-LJQANCHMSA-N 1 0 420.941 2.491 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(Br)o1)c1cccs1 ZINC000036310006 569131255 /nfs/dbraw/zinc/13/12/55/569131255.db2.gz ITFVQSCQECHFTB-JTQLQIEISA-N 1 0 400.298 2.253 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccccc2)cc1 ZINC000065074673 569169005 /nfs/dbraw/zinc/16/90/05/569169005.db2.gz LCDWKVHDSSEMQK-UHFFFAOYSA-N 1 0 412.559 2.310 50 0 biogenic HEAARO O=S(=O)(c1cccs1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccccc1F ZINC000065074775 569169153 /nfs/dbraw/zinc/16/91/53/569169153.db2.gz DOGLLFKTBSUQEJ-UHFFFAOYSA-N 1 0 422.551 2.202 50 0 biogenic HEAARO CC(C)[NH+]1CCN(C(=O)C2CCN(c3cnn(Cc4ccccc4)c(=O)c3)CC2)CC1 ZINC000065311486 569221458 /nfs/dbraw/zinc/22/14/58/569221458.db2.gz NPUQRKZXRVALHW-UHFFFAOYSA-N 1 0 423.561 2.061 50 0 HEAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065314067 569223106 /nfs/dbraw/zinc/22/31/06/569223106.db2.gz YGAVUFQCBKBCJZ-OAQYLSRUSA-N 1 0 423.561 2.061 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)Cc3ccccc3)CC2)cc1C ZINC000007340045 569234079 /nfs/dbraw/zinc/23/40/79/569234079.db2.gz MDGZCMGZZRBQRA-UHFFFAOYSA-N 1 0 415.559 2.268 50 0 HEAARO COc1ccc(OC)c(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCC2)c1 ZINC000016944418 569268098 /nfs/dbraw/zinc/26/80/98/569268098.db2.gz TVVCOLOMOMNUHD-UHFFFAOYSA-N 1 0 415.490 2.499 50 0 HEAARO Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000017012934 569271436 /nfs/dbraw/zinc/27/14/36/569271436.db2.gz HDMFBMINWXCXCF-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO Cc1ccc(Cl)cc1N1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027346488 569294058 /nfs/dbraw/zinc/29/40/58/569294058.db2.gz YQXGBHXPYJKNMN-UHFFFAOYSA-N 1 0 409.939 2.497 50 0 HEAARO O=C(C[C@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252550831 569294155 /nfs/dbraw/zinc/29/41/55/569294155.db2.gz SYKNUZNEAKWIRA-XUVXKRRUSA-N 1 0 412.534 2.125 50 0 HEAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)C4CCOCC4)CC3)C2)CC1 ZINC000581820109 569320889 /nfs/dbraw/zinc/32/08/89/569320889.db2.gz RHJPSXJPWOOAFJ-NRFANRHFSA-N 1 0 407.599 2.227 50 0 HEAARO O=C(c1cccnc1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819851 569320996 /nfs/dbraw/zinc/32/09/96/569320996.db2.gz PAJWXPWFQLNHGP-NRFANRHFSA-N 1 0 421.545 2.453 50 0 HEAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CC[NH+]1CCC2(CC1)OCCO2 ZINC000002426364 569398615 /nfs/dbraw/zinc/39/86/15/569398615.db2.gz GXGHTDQGBZWXTJ-UHFFFAOYSA-N 1 0 401.463 2.430 50 0 HEAARO Cc1cc(CN(C)C(=O)C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000328590073 569414949 /nfs/dbraw/zinc/41/49/49/569414949.db2.gz MFKDDCYIYVWVNK-UHFFFAOYSA-N 1 0 404.898 2.376 50 0 HEAARO CN(C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000078996079 569423189 /nfs/dbraw/zinc/42/31/89/569423189.db2.gz ZGGGOVLSINHQOX-MRXNPFEDSA-N 1 0 402.366 2.383 50 0 HEAARO O[C@H](C[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@@H]1CCCO1 ZINC000079076628 569427181 /nfs/dbraw/zinc/42/71/81/569427181.db2.gz TVAPYPRYQXODOA-CVEARBPZSA-N 1 0 423.439 2.219 50 0 HEAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000067287348 571064879 /nfs/dbraw/zinc/06/48/79/571064879.db2.gz UYIMEBOAOBOGHN-SFHVURJKSA-N 1 0 406.914 2.149 50 0 HEAARO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000008725498 571108256 /nfs/dbraw/zinc/10/82/56/571108256.db2.gz OQYHWNVLCAUBQJ-UHFFFAOYSA-N 1 0 406.508 2.051 50 0 HEAARO O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864240 571128871 /nfs/dbraw/zinc/12/88/71/571128871.db2.gz YFWCOXOACUKARO-INIZCTEOSA-N 1 0 401.488 2.046 50 0 HEAARO CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000010233406 571297662 /nfs/dbraw/zinc/29/76/62/571297662.db2.gz OLLCOSMSAYYEEA-UHFFFAOYSA-N 1 0 422.533 2.156 50 0 HEAARO CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)n(CCc2ccccc2)c(=O)n1C ZINC000010233413 571297676 /nfs/dbraw/zinc/29/76/76/571297676.db2.gz NXIVRENFYDOQGU-UHFFFAOYSA-N 1 0 422.533 2.042 50 0 HEAARO Cc1nc(C(=O)NCc2ccc(N3CCC[N@@H+](C)CC3)nc2)nn1-c1ccc(F)cc1 ZINC000071808663 571301876 /nfs/dbraw/zinc/30/18/76/571301876.db2.gz QXULTHRHYKLHTQ-UHFFFAOYSA-N 1 0 423.496 2.182 50 0 HEAARO O=C(CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O)NCC[NH+]1CCCCCC1 ZINC000039265925 571317696 /nfs/dbraw/zinc/31/76/96/571317696.db2.gz DQHTWESHWRWRRX-FQEVSTJZSA-N 1 0 412.534 2.020 50 0 HEAARO O=C(N[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[C@@H]1CO)c1cccnc1 ZINC000581799393 1078769404 /nfs/dbraw/zinc/76/94/04/1078769404.db2.gz WSXUELIMXLBEPF-FYYLOGMGSA-N 1 0 408.546 2.159 50 0 HEAARO C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)Nc1ccccc1F)CC2 ZINC000581802260 1078771827 /nfs/dbraw/zinc/77/18/27/1078771827.db2.gz CPJBHUKDMLFPRP-GOSISDBHSA-N 1 0 404.486 2.003 50 0 HEAARO Cc1cnc(C(=O)N2CCC([N@@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803550 1078780163 /nfs/dbraw/zinc/78/01/63/1078780163.db2.gz XNSIPUJHRLGRJQ-FQEVSTJZSA-N 1 0 400.523 2.050 50 0 HEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000004933365 132296477 /nfs/dbraw/zinc/29/64/77/132296477.db2.gz VFQSEBXSJPMLQE-UHFFFAOYSA-N 1 0 411.458 2.249 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009340430 132338749 /nfs/dbraw/zinc/33/87/49/132338749.db2.gz TXRKAMCNDJYMPL-WOJBJXKFSA-N 1 0 424.476 2.354 50 0 HEAARO O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698013 132350152 /nfs/dbraw/zinc/35/01/52/132350152.db2.gz WLZRLTJJAHSUAI-UHFFFAOYSA-N 1 0 414.466 2.265 50 0 HEAARO Cc1cccnc1N1CC[NH+](C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1 ZINC000012206187 132356722 /nfs/dbraw/zinc/35/67/22/132356722.db2.gz FHFVRKZBOYQLHZ-DEOSSOPVSA-N 1 0 408.546 2.108 50 0 HEAARO Cc1ccc(Cl)cc1N1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1 ZINC000012308412 132358283 /nfs/dbraw/zinc/35/82/83/132358283.db2.gz VAAOHPBVEIRMNC-FQEVSTJZSA-N 1 0 418.969 2.430 50 0 HEAARO CC[NH+](CC)CCNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574625 520670341 /nfs/dbraw/zinc/67/03/41/520670341.db2.gz UWBUTVWHWZMFNS-UHFFFAOYSA-N 1 0 401.442 2.039 50 0 HEAARO COc1cc(C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022765416 522116709 /nfs/dbraw/zinc/11/67/09/522116709.db2.gz UFGDHJWDWMNWQL-KRWDZBQOSA-N 1 0 419.547 2.492 50 0 HEAARO COC(=O)c1ccc(OCc2noc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)cc1 ZINC000032096076 522147491 /nfs/dbraw/zinc/14/74/91/522147491.db2.gz CJDGXCIUPJLMFQ-UHFFFAOYSA-N 1 0 416.478 2.474 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766367 523917161 /nfs/dbraw/zinc/91/71/61/523917161.db2.gz MBUKTGCRSUEHSS-SFHVURJKSA-N 1 0 420.966 2.123 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(F)c2)c2ccsc2)CC1 ZINC000022766292 523919309 /nfs/dbraw/zinc/91/93/09/523919309.db2.gz OTJHNJHYJJEXTI-QGZVFWFLSA-N 1 0 408.474 2.070 50 0 HEAARO C[NH+](C)CCCNC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000042920516 524056388 /nfs/dbraw/zinc/05/63/88/524056388.db2.gz OZYBMRZTWFLCME-UHFFFAOYSA-N 1 0 414.529 2.298 50 0 HEAARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766364 524268720 /nfs/dbraw/zinc/26/87/20/524268720.db2.gz CXJQJLUDIRIYMS-GOSISDBHSA-N 1 0 400.548 2.408 50 0 HEAARO Nc1nccnc1C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000031956216 527573037 /nfs/dbraw/zinc/57/30/37/527573037.db2.gz BJZKYAOGCWZQJH-UHFFFAOYSA-N 1 0 402.502 2.311 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000002436402 557347349 /nfs/dbraw/zinc/34/73/49/557347349.db2.gz NXPYPQXLFSVYAT-UHFFFAOYSA-N 1 0 406.240 2.194 50 0 HEAARO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 ZINC000034667997 557361420 /nfs/dbraw/zinc/36/14/20/557361420.db2.gz XITDLXZSXRDMHY-GOSISDBHSA-N 1 0 416.497 2.381 50 0 HEAARO CCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677359 557364908 /nfs/dbraw/zinc/36/49/08/557364908.db2.gz RCRCYSSQZYPFLB-GOSISDBHSA-N 1 0 404.486 2.022 50 0 HEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCN(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC000004738634 557589812 /nfs/dbraw/zinc/58/98/12/557589812.db2.gz YSVFEJRCUTXNEO-QGZVFWFLSA-N 1 0 413.499 2.283 50 0 HEAARO CCCCn1c(C)c(C)n2c1nc1c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n1C ZINC000005144730 557637900 /nfs/dbraw/zinc/63/79/00/557637900.db2.gz WBOSYDOVGVSQIQ-UHFFFAOYSA-N 1 0 400.527 2.052 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795416 557822619 /nfs/dbraw/zinc/82/26/19/557822619.db2.gz USRLATFYZUYVMY-OAQYLSRUSA-N 1 0 410.518 2.047 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)Cc1nonc1C ZINC000011661090 558265096 /nfs/dbraw/zinc/26/50/96/558265096.db2.gz HJYMEROTQPYDGE-UHFFFAOYSA-N 1 0 416.522 2.316 50 0 HEAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3cn[nH]c3)CC2)CC1 ZINC000011764792 558273894 /nfs/dbraw/zinc/27/38/94/558273894.db2.gz ZZPJANGANIVGSJ-UHFFFAOYSA-N 1 0 409.534 2.085 50 0 HEAARO COCCNC(=O)CCC1CC[NH+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000011814457 558278751 /nfs/dbraw/zinc/27/87/51/558278751.db2.gz RUBCUSDAMVWEJJ-UHFFFAOYSA-N 1 0 414.550 2.239 50 0 HEAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000011817900 558281213 /nfs/dbraw/zinc/28/12/13/558281213.db2.gz FVXLTNKGCILOET-UHFFFAOYSA-N 1 0 411.550 2.191 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2cnccn2)CC1 ZINC000011934910 558299186 /nfs/dbraw/zinc/29/91/86/558299186.db2.gz JPXPQTKRQXFCMT-HXUWFJFHSA-N 1 0 401.555 2.029 50 0 HEAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(C)=O)n3CC2)ccc1O ZINC000011973481 558305414 /nfs/dbraw/zinc/30/54/14/558305414.db2.gz WSQFPLDWERIREO-QGZVFWFLSA-N 1 0 401.511 2.274 50 0 HEAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCC(=O)NC1CCCCC1 ZINC000020064308 558330336 /nfs/dbraw/zinc/33/03/36/558330336.db2.gz NPGUUTSHNFESGQ-UHFFFAOYSA-N 1 0 419.566 2.335 50 0 HEAARO CCc1c(C(=O)NCc2c(C)nn(C)c2C)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000012219080 558354746 /nfs/dbraw/zinc/35/47/46/558354746.db2.gz RXEVUJLHMMXYDD-SFHVURJKSA-N 1 0 413.566 2.484 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1OC ZINC000012302711 558372340 /nfs/dbraw/zinc/37/23/40/558372340.db2.gz OXEHDLNUYXSQKU-KRWDZBQOSA-N 1 0 402.495 2.103 50 0 HEAARO CCOC[C@@H](O)C[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000012438967 558410276 /nfs/dbraw/zinc/41/02/76/558410276.db2.gz LPDOVSJROLPFRU-FQEVSTJZSA-N 1 0 424.545 2.444 50 0 HEAARO O=c1c2nnn(-c3ccc(Br)cc3)c2ncn1CC[NH+]1CCCCC1 ZINC000004341823 558425664 /nfs/dbraw/zinc/42/56/64/558425664.db2.gz KOUAODHVMYBNGC-UHFFFAOYSA-N 1 0 403.284 2.226 50 0 HEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000021938478 558456152 /nfs/dbraw/zinc/45/61/52/558456152.db2.gz AXCZXUFHMPBKKD-UHFFFAOYSA-N 1 0 406.486 2.314 50 0 HEAARO [NH3+][C@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000022011950 558457749 /nfs/dbraw/zinc/45/77/49/558457749.db2.gz MFFMDFFZMYYVKS-VIFPVBQESA-N 1 0 407.318 2.017 50 0 in-vitro HEAARO COc1ccc(COC[C@@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000022023095 558458642 /nfs/dbraw/zinc/45/86/42/558458642.db2.gz ADXHYFVBGHUPNO-IBGZPJMESA-N 1 0 416.518 2.412 50 0 HEAARO COc1ccc([C@H](C[NH2+]C[C@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000022026897 558459080 /nfs/dbraw/zinc/45/90/80/558459080.db2.gz OXBVTFZPCZPEAI-REWPJTCUSA-N 1 0 400.519 2.406 50 0 HEAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000013040077 558506475 /nfs/dbraw/zinc/50/64/75/558506475.db2.gz MBBGFARIUFMXIC-CYBMUJFWSA-N 1 0 409.483 2.374 50 0 HEAARO O=C(Nc1cccc(Cl)c1)N1CCC(n2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000023153511 558539346 /nfs/dbraw/zinc/53/93/46/558539346.db2.gz VZNASVULAXZAGT-UHFFFAOYSA-N 1 0 403.918 2.206 50 0 HEAARO c1cnn(CCC[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374520 558554167 /nfs/dbraw/zinc/55/41/67/558554167.db2.gz JFEPOOICANOCSS-OAQYLSRUSA-N 1 0 411.550 2.284 50 0 HEAARO O=C(Cc1cccnc1)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023375050 558554541 /nfs/dbraw/zinc/55/45/41/558554541.db2.gz WDQRLHRPXSRNLF-OAQYLSRUSA-N 1 0 422.529 2.162 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000023701713 558568553 /nfs/dbraw/zinc/56/85/53/558568553.db2.gz LPOVRDVFHVAXHG-ZDUSSCGKSA-N 1 0 405.973 2.109 50 0 HEAARO CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000014185417 558630511 /nfs/dbraw/zinc/63/05/11/558630511.db2.gz XTZDNEGISLITPW-CVDCTZTESA-N 1 0 408.502 2.263 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000025816210 558650689 /nfs/dbraw/zinc/65/06/89/558650689.db2.gz HGLAQTAOYCZVRG-KSZLIROESA-N 1 0 421.563 2.449 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)N4CCC(C)CC4)CC3)cn2)CC1 ZINC000065166787 558652755 /nfs/dbraw/zinc/65/27/55/558652755.db2.gz OPDFFALSJFYHQI-UHFFFAOYSA-N 1 0 400.571 2.093 50 0 HEAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cn(C)nc4C)CC3)C2=O)cc1 ZINC000014536993 558658527 /nfs/dbraw/zinc/65/85/27/558658527.db2.gz JQBSHDHEIHADEZ-UHFFFAOYSA-N 1 0 411.506 2.166 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014539984 558659419 /nfs/dbraw/zinc/65/94/19/558659419.db2.gz DEYSIEZDWYTNRL-GOSISDBHSA-N 1 0 412.534 2.074 50 0 HEAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+]([C@@H](C)CO)CC3)C2=O)cc1 ZINC000014540999 558659850 /nfs/dbraw/zinc/65/98/50/558659850.db2.gz VNLSZIWRBKWITJ-KRWDZBQOSA-N 1 0 403.523 2.331 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014753263 558671344 /nfs/dbraw/zinc/67/13/44/558671344.db2.gz VRPZKBBWCGPCEA-GOSISDBHSA-N 1 0 400.498 2.204 50 0 HEAARO COc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000027740021 558680476 /nfs/dbraw/zinc/68/04/76/558680476.db2.gz HLGKKXONYPKAGO-MRXNPFEDSA-N 1 0 409.552 2.084 50 0 HEAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 ZINC000014954167 558681686 /nfs/dbraw/zinc/68/16/86/558681686.db2.gz XUHAJHJGPQJMAI-UHFFFAOYSA-N 1 0 406.490 2.060 50 0 HEAARO C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2C1 ZINC000014960499 558683812 /nfs/dbraw/zinc/68/38/12/558683812.db2.gz FEIQGLJDYPMVNP-UHFFFAOYSA-N 1 0 405.542 2.422 50 0 HEAARO COC(=O)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000014981006 558691315 /nfs/dbraw/zinc/69/13/15/558691315.db2.gz KYHPELVTPQUKHE-JOCHJYFZSA-N 1 0 404.507 2.472 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000014996964 558696326 /nfs/dbraw/zinc/69/63/26/558696326.db2.gz XQUNBVZTNBWLIH-UHFFFAOYSA-N 1 0 423.492 2.343 50 0 HEAARO COC(=O)CCCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000015065112 558708106 /nfs/dbraw/zinc/70/81/06/558708106.db2.gz XEZATQMSAGLIBH-SFHVURJKSA-N 1 0 403.523 2.152 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000015671268 558748594 /nfs/dbraw/zinc/74/85/94/558748594.db2.gz BTXDIELBBXKSJE-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000016449874 558792163 /nfs/dbraw/zinc/79/21/63/558792163.db2.gz TXAJVSPOCBVDQI-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCCC1 ZINC000032987619 558807514 /nfs/dbraw/zinc/80/75/14/558807514.db2.gz KAPUIXJMUVHMRF-UHFFFAOYSA-N 1 0 421.498 2.048 50 0 HEAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000060319205 558834510 /nfs/dbraw/zinc/83/45/10/558834510.db2.gz PSEGEELNNWVMQY-UHFFFAOYSA-N 1 0 400.866 2.074 50 0 HEAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000046960628 558841490 /nfs/dbraw/zinc/84/14/90/558841490.db2.gz DHTQHYOARHEAEV-DLBZAZTESA-N 1 0 413.609 2.387 50 0 HEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1cc(COc2cccc3cccnc32)on1 ZINC000019143971 558846613 /nfs/dbraw/zinc/84/66/13/558846613.db2.gz OMCHPBWKWQMRDQ-QGZVFWFLSA-N 1 0 410.474 2.378 50 0 HEAARO CC[NH+](CC)CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019148099 558847113 /nfs/dbraw/zinc/84/71/13/558847113.db2.gz SITJRXGMSWMIKX-HXUWFJFHSA-N 1 0 415.582 2.091 50 0 HEAARO Cc1nn(C)cc1CNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000019226726 558852849 /nfs/dbraw/zinc/85/28/49/558852849.db2.gz POEGBFMEBJGGSV-UHFFFAOYSA-N 1 0 424.593 2.425 50 0 HEAARO CC(=O)N1c2ccccc2[C@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=[NH2+])N2)C1=O ZINC000019321146 558867482 /nfs/dbraw/zinc/86/74/82/558867482.db2.gz OFNGGMMPGNUHAW-SFHVURJKSA-N 1 0 416.363 2.137 50 0 HEAARO CC[NH+](CC)C[C@H](C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004676271 558888683 /nfs/dbraw/zinc/88/86/83/558888683.db2.gz KHYLEDSOYVPWRY-GOSISDBHSA-N 1 0 409.596 2.490 50 0 HEAARO Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000058010587 558895135 /nfs/dbraw/zinc/89/51/35/558895135.db2.gz NKSAZTYMQSHJIV-JOCHJYFZSA-N 1 0 422.508 2.469 50 0 HEAARO CC(C)CN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071405709 558897680 /nfs/dbraw/zinc/89/76/80/558897680.db2.gz YLENJRYMBBYWGA-NRFANRHFSA-N 1 0 402.583 2.235 50 0 HEAARO COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058158674 558903767 /nfs/dbraw/zinc/90/37/67/558903767.db2.gz LJTMJYSRAXZRKG-IRXDYDNUSA-N 1 0 417.550 2.351 50 0 HEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)c1C ZINC000071774899 558911568 /nfs/dbraw/zinc/91/15/68/558911568.db2.gz WZMHUUQBPJMSRV-FQEVSTJZSA-N 1 0 408.550 2.486 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000033254514 558918410 /nfs/dbraw/zinc/91/84/10/558918410.db2.gz GHADYKVDXMDJHJ-SFHVURJKSA-N 1 0 407.580 2.468 50 0 HEAARO CC[NH+](CC)CC1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000058306911 558918512 /nfs/dbraw/zinc/91/85/12/558918512.db2.gz RIOGZCSTHHFUNO-UHFFFAOYSA-N 1 0 424.611 2.238 50 0 HEAARO COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000058438119 558927164 /nfs/dbraw/zinc/92/71/64/558927164.db2.gz AHZKKWXSIKTQGU-HMMYKYKNSA-N 1 0 403.548 2.174 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)[nH+]1 ZINC000072139985 558928901 /nfs/dbraw/zinc/92/89/01/558928901.db2.gz PBBKJQZNNVIMQP-UHFFFAOYSA-N 1 0 414.485 2.423 50 0 HEAARO O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCC[NH+]1CCCC1 ZINC000033061956 558955678 /nfs/dbraw/zinc/95/56/78/558955678.db2.gz AXRZPDNOFINOFQ-UHFFFAOYSA-N 1 0 405.499 2.464 50 0 HEAARO C[NH+]1CCC(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 ZINC000065361863 558972503 /nfs/dbraw/zinc/97/25/03/558972503.db2.gz JVRKBYNPFPMLOM-UHFFFAOYSA-N 1 0 405.495 2.231 50 0 HEAARO COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)cc1C ZINC000065363316 558974311 /nfs/dbraw/zinc/97/43/11/558974311.db2.gz GZZJLSNDBSUHJG-UHFFFAOYSA-N 1 0 405.524 2.093 50 0 HEAARO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC[C@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000072446708 558982374 /nfs/dbraw/zinc/98/23/74/558982374.db2.gz FKBMDOSCDSRNLH-IBGZPJMESA-N 1 0 421.607 2.385 50 0 HEAARO CC1CC[NH+](CCNC(=O)Cn2cnc3onc(-c4cccc(F)c4)c3c2=O)CC1 ZINC000033069108 558983243 /nfs/dbraw/zinc/98/32/43/558983243.db2.gz FMAQFMVUXCRGIL-UHFFFAOYSA-N 1 0 413.453 2.039 50 0 HEAARO O=C(NCc1cnc2ccccc2c1)c1ccc(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)[nH]c1=O ZINC000077354635 559002168 /nfs/dbraw/zinc/00/21/68/559002168.db2.gz BJWJAKOVTSLANA-UXHICEINSA-N 1 0 417.513 2.179 50 0 HEAARO O=C([C@H]1[C@@H]2C=C[C@@]3(CN(C4CCCCCC4)C(=O)[C@@H]13)O2)N1CC([NH+]2CCCCC2)C1 ZINC000077485705 559006902 /nfs/dbraw/zinc/00/69/02/559006902.db2.gz PXXAQRGBGZHTIL-JCUDRXCFSA-N 1 0 413.562 2.188 50 0 HEAARO CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)ccc1N1CC[NH2+]CC1 ZINC000033275422 559035227 /nfs/dbraw/zinc/03/52/27/559035227.db2.gz PSVYMCQBJSXEQA-UHFFFAOYSA-N 1 0 416.547 2.264 50 0 HEAARO Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)ncn1 ZINC000082096573 559037334 /nfs/dbraw/zinc/03/73/34/559037334.db2.gz MXSOZOJGZQNIEB-IBGZPJMESA-N 1 0 408.550 2.099 50 0 HEAARO Cc1c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C ZINC000082098379 559037960 /nfs/dbraw/zinc/03/79/60/559037960.db2.gz YCDMGTXOVKOOMT-IBGZPJMESA-N 1 0 410.566 2.116 50 0 HEAARO Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1C[C@@H](CO)[N@H+](C)[C@H]1c1ccccc1F ZINC000082106754 559038328 /nfs/dbraw/zinc/03/83/28/559038328.db2.gz MJBHWKSQEXNCRY-HYFFOGBASA-N 1 0 402.514 2.279 50 0 HEAARO Nc1nccc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082107622 559038410 /nfs/dbraw/zinc/03/84/10/559038410.db2.gz WMZYNHJNSXKPLU-LJQANCHMSA-N 1 0 408.550 2.099 50 0 HEAARO O=C(NCC1(CO)CCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082121456 559039545 /nfs/dbraw/zinc/03/95/45/559039545.db2.gz SNJWCRONHAVOIX-HXUWFJFHSA-N 1 0 400.567 2.037 50 0 HEAARO Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082126511 559039862 /nfs/dbraw/zinc/03/98/62/559039862.db2.gz XCOTYBUEEWBADC-IBGZPJMESA-N 1 0 412.538 2.108 50 0 HEAARO Cc1ncc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)cn1 ZINC000082136895 559040230 /nfs/dbraw/zinc/04/02/30/559040230.db2.gz YYULEFFTWYZDAV-NRFANRHFSA-N 1 0 408.550 2.173 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)on1 ZINC000082167045 559042158 /nfs/dbraw/zinc/04/21/58/559042158.db2.gz XHORNNDNVJEPQE-QGZVFWFLSA-N 1 0 411.506 2.011 50 0 HEAARO Cc1nc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc(N2CCCC2)[nH+]1 ZINC000082230631 559042834 /nfs/dbraw/zinc/04/28/34/559042834.db2.gz UDEOJVDYGWTBRF-UHFFFAOYSA-N 1 0 405.506 2.084 50 0 HEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCC(O)CC1 ZINC000091877157 559074392 /nfs/dbraw/zinc/07/43/92/559074392.db2.gz PIDOTLLZIKSLLQ-QGZVFWFLSA-N 1 0 412.534 2.492 50 0 HEAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N(C)CCC(N)=O)c1 ZINC000095503272 559082780 /nfs/dbraw/zinc/08/27/80/559082780.db2.gz RHKIDHWFWZPFEU-UHFFFAOYSA-N 1 0 403.523 2.428 50 0 HEAARO CN(C)C(=O)NCC(=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095527829 559086201 /nfs/dbraw/zinc/08/62/01/559086201.db2.gz PERYNDLCGLVIAJ-UHFFFAOYSA-N 1 0 401.555 2.336 50 0 HEAARO CCN1CCc2c(sc(NC(=S)NC(=O)c3ccc(OC)cc3)c2C(N)=O)C1 ZINC000004891177 559198457 /nfs/dbraw/zinc/19/84/57/559198457.db2.gz LYEZTYGVUYXVSM-UHFFFAOYSA-N 1 0 418.544 2.360 50 0 HEAARO C[NH2+]CCNC(=O)Cc1nc2cc(C(=O)OC)ccc2n1Cc1ccc(Cl)cc1 ZINC000033559442 559212664 /nfs/dbraw/zinc/21/26/64/559212664.db2.gz INZUGINEKMSNOH-UHFFFAOYSA-N 1 0 414.893 2.403 50 0 HEAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000247914129 559249214 /nfs/dbraw/zinc/24/92/14/559249214.db2.gz AUAHBVQNGCBQOO-APWZRJJASA-N 1 0 407.474 2.216 50 0 HEAARO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000050997173 560539204 /nfs/dbraw/zinc/53/92/04/560539204.db2.gz XCVJZHWMPQMWIY-HKUYNNGSSA-N 1 0 416.566 2.273 50 0 HEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000583648143 560778927 /nfs/dbraw/zinc/77/89/27/560778927.db2.gz FPAIKKOANXNREN-NHCUHLMSSA-N 1 0 412.538 2.075 50 0 HEAARO Cc1cnc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000575317320 560855618 /nfs/dbraw/zinc/85/56/18/560855618.db2.gz ZFXJYBSPRLFNSP-HXUWFJFHSA-N 1 0 415.582 2.212 50 0 HEAARO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)cc1NC(C)=O ZINC000048303106 568437895 /nfs/dbraw/zinc/43/78/95/568437895.db2.gz BPABNZLPWCSXEZ-UHFFFAOYSA-N 1 0 409.508 2.308 50 0 HEAARO CC[NH+](CC)CC1CCN(C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000048333371 568439421 /nfs/dbraw/zinc/43/94/21/568439421.db2.gz QIABYCKERJQIGM-NRFANRHFSA-N 1 0 414.554 2.354 50 0 HEAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008231030 568495050 /nfs/dbraw/zinc/49/50/50/568495050.db2.gz KWYRSJZFRLDLJD-SFHVURJKSA-N 1 0 403.504 2.386 50 0 HEAARO CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000222035924 568513697 /nfs/dbraw/zinc/51/36/97/568513697.db2.gz TYTHSCYEJUUBHO-MAUKXSAKSA-N 1 0 422.595 2.130 50 0 HEAARO CC(C)[NH+](CCN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000095367784 568602244 /nfs/dbraw/zinc/60/22/44/568602244.db2.gz GLRZYDKEHLPZOP-GOSISDBHSA-N 1 0 424.563 2.092 50 0 HEAARO C[NH+]1CCN(C[C@H]2CN(c3nc(-c4cccnc4)nc4ccccc43)CCO2)CC1 ZINC000095393100 568604237 /nfs/dbraw/zinc/60/42/37/568604237.db2.gz YAONAPFSWDTXNY-IBGZPJMESA-N 1 0 404.518 2.144 50 0 HEAARO O=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000020416324 568606084 /nfs/dbraw/zinc/60/60/84/568606084.db2.gz UIFCYZWHKRUBFQ-UHFFFAOYSA-N 1 0 415.497 2.442 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)CC1 ZINC000020514657 568622552 /nfs/dbraw/zinc/62/25/52/568622552.db2.gz KGMFOCBEUNCUGW-MUUNZHRXSA-N 1 0 403.548 2.263 50 0 HEAARO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000020531864 568627579 /nfs/dbraw/zinc/62/75/79/568627579.db2.gz HCESNTVZVVVCCP-HOTGVXAUSA-N 1 0 405.539 2.010 50 0 biogenic HEAARO Cc1noc2ncn(CC(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)c(=O)c12 ZINC000020941849 568652798 /nfs/dbraw/zinc/65/27/98/568652798.db2.gz FIWGCXPXGCXBQP-UHFFFAOYSA-N 1 0 409.490 2.030 50 0 HEAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000020979398 568654154 /nfs/dbraw/zinc/65/41/54/568654154.db2.gz YAUNPTVVHFJFMP-UHFFFAOYSA-N 1 0 406.534 2.257 50 0 HEAARO Cn1cc(-n2cc(C(=O)NC[C@H]3CCCC[N@@H+]3Cc3ccccc3)ccc2=O)cn1 ZINC000095940420 568661758 /nfs/dbraw/zinc/66/17/58/568661758.db2.gz RHAFBDYNULGPPZ-HXUWFJFHSA-N 1 0 405.502 2.356 50 0 HEAARO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971980 568671627 /nfs/dbraw/zinc/67/16/27/568671627.db2.gz PWYUWUSFKHKEAQ-CYBMUJFWSA-N 1 0 421.441 2.200 50 0 HEAARO O=C(Nc1ccc(F)cc1OC(F)F)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971987 568671722 /nfs/dbraw/zinc/67/17/22/568671722.db2.gz WGWHSXKRKPTHQJ-ZDUSSCGKSA-N 1 0 421.441 2.200 50 0 HEAARO O=S(=O)(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000095972954 568671894 /nfs/dbraw/zinc/67/18/94/568671894.db2.gz XCXUIZRCIGPAOO-HOTGVXAUSA-N 1 0 403.342 2.105 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CC[NH+](C)CC2)cc1Cl ZINC000021157137 568673867 /nfs/dbraw/zinc/67/38/67/568673867.db2.gz LTXMEDTYQLOUNP-LJQANCHMSA-N 1 0 417.941 2.030 50 0 HEAARO C[C@@H](C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000096013618 568685394 /nfs/dbraw/zinc/68/53/94/568685394.db2.gz PKKLOEZGSQXPHV-LJQANCHMSA-N 1 0 402.564 2.002 50 0 HEAARO C[NH+](C)CCNC(=O)CCc1nnc2c3cc(-c4ccc(Cl)cc4)nn3ccn12 ZINC000096322330 568730041 /nfs/dbraw/zinc/73/00/41/568730041.db2.gz XFFUUOFRSGGTFM-UHFFFAOYSA-N 1 0 411.897 2.308 50 0 HEAARO c1ccc(CN2CC[NH+](CCCNc3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000021887425 568758591 /nfs/dbraw/zinc/75/85/91/568758591.db2.gz ATIKPBVMPMDUIR-UHFFFAOYSA-N 1 0 402.506 2.292 50 0 HEAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(=O)OC)cc2)CC1 ZINC000021890277 568759089 /nfs/dbraw/zinc/75/90/89/568759089.db2.gz NFTWBWCNDJWOLD-UHFFFAOYSA-N 1 0 403.504 2.416 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1cncc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000021931419 568761814 /nfs/dbraw/zinc/76/18/14/568761814.db2.gz KCZQPIXEVXFAGY-UHFFFAOYSA-N 1 0 404.536 2.287 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021933748 568761816 /nfs/dbraw/zinc/76/18/16/568761816.db2.gz ORLLILDEPXBKKG-UHFFFAOYSA-N 1 0 401.486 2.140 50 0 HEAARO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CC[NH+](CC2CC2)CC1 ZINC000055673874 568781849 /nfs/dbraw/zinc/78/18/49/568781849.db2.gz PPPGCBJBSQDBHA-UHFFFAOYSA-N 1 0 412.303 2.262 50 0 HEAARO O=C(C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)NCCC[NH+]1CCCCC1 ZINC000003045854 568849060 /nfs/dbraw/zinc/84/90/60/568849060.db2.gz HVTGUHCQVDAJLE-OAQYLSRUSA-N 1 0 409.534 2.396 50 0 HEAARO COc1ccccc1CN1CCc2c(C(=O)N3CCCC3)c(OC)cc(=O)n2CC1 ZINC000299756206 568872620 /nfs/dbraw/zinc/87/26/20/568872620.db2.gz JSRCQLRSBKOLDX-UHFFFAOYSA-N 1 0 411.502 2.160 50 0 HEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000299756211 568872699 /nfs/dbraw/zinc/87/26/99/568872699.db2.gz DQSLQQIRYWJYJC-QFIPXVFZSA-N 1 0 419.541 2.382 50 0 HEAARO COc1ncccc1C(=O)N1CCOc2ccc(C[N@@H+]3CCCC[C@@H]3CO)cc2C1 ZINC000299765962 568873720 /nfs/dbraw/zinc/87/37/20/568873720.db2.gz YLYFNTCSLDSXQZ-LJQANCHMSA-N 1 0 411.502 2.472 50 0 HEAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)s1 ZINC000299776382 568874835 /nfs/dbraw/zinc/87/48/35/568874835.db2.gz AYRBKOBQRSETAI-HNNXBMFYSA-N 1 0 411.955 2.376 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)c[nH]1 ZINC000015731738 568981709 /nfs/dbraw/zinc/98/17/09/568981709.db2.gz FEIIWVSZRVRAFI-UHFFFAOYSA-N 1 0 417.531 2.260 50 0 HEAARO CN(C)S(=O)(=O)c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006083359 568996753 /nfs/dbraw/zinc/99/67/53/568996753.db2.gz DGSJYSGVPPYDOW-UHFFFAOYSA-N 1 0 401.532 2.331 50 0 HEAARO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1OC ZINC000104472210 569008776 /nfs/dbraw/zinc/00/87/76/569008776.db2.gz LCZWFPDBAYCJDQ-OAQYLSRUSA-N 1 0 405.583 2.445 50 0 HEAARO COc1ccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc1Cn1cncn1 ZINC000104531519 569009068 /nfs/dbraw/zinc/00/90/68/569009068.db2.gz RACWOMFJTAVWMV-OAQYLSRUSA-N 1 0 401.555 2.250 50 0 HEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000015864301 569016474 /nfs/dbraw/zinc/01/64/74/569016474.db2.gz BQAWEZLYCGBNEZ-UHFFFAOYSA-N 1 0 415.559 2.235 50 0 HEAARO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1 ZINC000012904866 569021129 /nfs/dbraw/zinc/02/11/29/569021129.db2.gz ZADOXTBLWFXACG-GOSISDBHSA-N 1 0 403.475 2.405 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@]21c2ccccc2NC1=O ZINC000035375290 569033919 /nfs/dbraw/zinc/03/39/19/569033919.db2.gz HLDAZIGKCCKODR-UBMGKBNPSA-N 1 0 403.482 2.448 50 0 HEAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[NH+](CC)CC)n2C)c1 ZINC000035561003 569044984 /nfs/dbraw/zinc/04/49/84/569044984.db2.gz YIDDBWSWASSSLK-UHFFFAOYSA-N 1 0 408.568 2.280 50 0 HEAARO Cc1c(Br)c(C(F)(F)F)nn1Cc1nc2c3cnnc-3ncn2[nH]1 ZINC000006412550 569046812 /nfs/dbraw/zinc/04/68/12/569046812.db2.gz BOTDFUKSWUDKSV-UHFFFAOYSA-N 1 0 401.150 2.335 50 0 HEAARO NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1 ZINC000035686228 569050483 /nfs/dbraw/zinc/05/04/83/569050483.db2.gz JJHZQWHSXGIYKA-GOSISDBHSA-N 1 0 422.481 2.397 50 0 HEAARO CC[NH+](CC)CCNC(=O)[C@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061794 569165781 /nfs/dbraw/zinc/16/57/81/569165781.db2.gz RJYLBQMUJDLSBC-OAHLLOKOSA-N 1 0 401.598 2.243 50 0 HEAARO CC[NH+](CC)CCNC(=O)[C@@H](C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061793 569165772 /nfs/dbraw/zinc/16/57/72/569165772.db2.gz RJYLBQMUJDLSBC-HNNXBMFYSA-N 1 0 401.598 2.243 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)c[nH]1 ZINC000007007004 569199889 /nfs/dbraw/zinc/19/98/89/569199889.db2.gz KLLJKMGEUIWUSL-UHFFFAOYSA-N 1 0 405.520 2.300 50 0 HEAARO COc1ccc2[nH]c(C(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(C)c2c1 ZINC000524732230 569212581 /nfs/dbraw/zinc/21/25/81/569212581.db2.gz QSGIKLBGIJTTDA-SJORKVTESA-N 1 0 420.513 2.496 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274626 569215197 /nfs/dbraw/zinc/21/51/97/569215197.db2.gz JTJHHPBAESKGTK-UHFFFAOYSA-N 1 0 422.533 2.162 50 0 HEAARO O=C(CCn1cc(Br)ccc1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065518490 569233537 /nfs/dbraw/zinc/23/35/37/569233537.db2.gz NGTZEFHUPBARTQ-QGZVFWFLSA-N 1 0 404.308 2.392 50 0 HEAARO Cc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)CC2=O)c1C ZINC000014519959 569260286 /nfs/dbraw/zinc/26/02/86/569260286.db2.gz IRVKCEOIERFHIY-GOSISDBHSA-N 1 0 407.518 2.442 50 0 HEAARO CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520693 569260302 /nfs/dbraw/zinc/26/03/02/569260302.db2.gz QKIZVMOYWLAZDS-OAQYLSRUSA-N 1 0 420.517 2.001 50 0 HEAARO CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000089969256 569270456 /nfs/dbraw/zinc/27/04/56/569270456.db2.gz ICGFNFVOENJUGS-UHFFFAOYSA-N 1 0 417.550 2.448 50 0 HEAARO CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000170676604 569297925 /nfs/dbraw/zinc/29/79/25/569297925.db2.gz UMSWQBBIUCAKMD-CZUORRHYSA-N 1 0 421.485 2.206 50 0 HEAARO C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000252666838 569319152 /nfs/dbraw/zinc/31/91/52/569319152.db2.gz CMPITBUOJKWALO-WTNAPCKOSA-N 1 0 407.514 2.386 50 0 HEAARO CC(=O)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCc4ccccc4)CC3)C2)CC1 ZINC000581819738 569320718 /nfs/dbraw/zinc/32/07/18/569320718.db2.gz GSNRFEKLWZGCHK-JOCHJYFZSA-N 1 0 413.562 2.324 50 0 HEAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C(C)C)CC2)CCO3)n1 ZINC000581819808 569320874 /nfs/dbraw/zinc/32/08/74/569320874.db2.gz MKPOTALDJLLXHJ-IBGZPJMESA-N 1 0 403.571 2.083 50 0 HEAARO COc1ccccc1CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000253411765 569366577 /nfs/dbraw/zinc/36/65/77/569366577.db2.gz PBRRZFJFLCPANT-PWRODBHTSA-N 1 0 413.562 2.467 50 0 biogenic HEAARO Cc1cc(C)n(-c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)cc2)n1 ZINC000253419421 569367806 /nfs/dbraw/zinc/36/78/06/569367806.db2.gz QCXHWLMKISUHAX-VCSGRIEYSA-N 1 0 409.534 2.303 50 0 HEAARO Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1CN1CCN(c2ccccn2)CC1 ZINC000079464798 569431216 /nfs/dbraw/zinc/43/12/16/569431216.db2.gz AAGHMISKDABIAB-UHFFFAOYSA-N 1 0 411.550 2.184 50 0 HEAARO COc1ccc(OC[C@@H](O)CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229364 571217935 /nfs/dbraw/zinc/21/79/35/571217935.db2.gz VWALKEUMXHXLIM-HOTGVXAUSA-N 1 0 411.545 2.186 50 0 HEAARO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O ZINC000009516904 571265162 /nfs/dbraw/zinc/26/51/62/571265162.db2.gz SWQIJHWYGPRNJP-UWJYYQICSA-N 1 0 418.925 2.314 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000009528447 571266284 /nfs/dbraw/zinc/26/62/84/571266284.db2.gz HSIDBPYPGROYSH-KRWDZBQOSA-N 1 0 401.598 2.432 50 0 HEAARO COc1cc(COCC2CC[NH+](CC(=O)NC[C@@H]3CCCO3)CC2)cc(OC)c1 ZINC000077191441 571312235 /nfs/dbraw/zinc/31/22/35/571312235.db2.gz UNADZHKCYNHRII-IBGZPJMESA-N 1 0 406.523 2.228 50 0 HEAARO CC(C)NC(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CC[NH+](C(C)C)CC1)CCO2 ZINC000581786344 1078766027 /nfs/dbraw/zinc/76/60/27/1078766027.db2.gz SLCRHYMPNWWSKL-LJQANCHMSA-N 1 0 408.587 2.308 50 0 HEAARO COc1ccc(C(=O)N2CCC([N@@H+]3C[C@@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803343 1078780018 /nfs/dbraw/zinc/78/00/18/1078780018.db2.gz UXNPXTRHVIYYIU-HXUWFJFHSA-N 1 0 415.534 2.355 50 0 HEAARO CCn1cc(S(=O)(=O)N2CCC[C@@H](Cn3c(C)c[nH+]c3C3CCOCC3)C2)cn1 ZINC000575547551 1076344771 /nfs/dbraw/zinc/34/47/71/1076344771.db2.gz IHIIFDDJAUTISH-QGZVFWFLSA-N 1 0 421.567 2.403 50 0 HEAARO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ccccn5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000012661750 132365880 /nfs/dbraw/zinc/36/58/80/132365880.db2.gz TYXOONJQIUQGFQ-KJAAZQAASA-N 1 0 411.546 2.489 50 0 biogenic HEAARO CC[NH+]1CCN(CCNC(=O)CC2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000032974451 521681904 /nfs/dbraw/zinc/68/19/04/521681904.db2.gz GIHNVGAMUVNZFM-UHFFFAOYSA-N 1 0 420.985 2.336 50 0 HEAARO CC[C@@H](C)[N@H+](CCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1cccs1 ZINC000020582038 522088611 /nfs/dbraw/zinc/08/86/11/522088611.db2.gz IYBRKFOGTYWCOD-GFCCVEGCSA-N 1 0 401.579 2.488 50 0 HEAARO CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000045974212 524011194 /nfs/dbraw/zinc/01/11/94/524011194.db2.gz LAJRFERNCCXUPS-UHFFFAOYSA-N 1 0 407.580 2.394 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)[NH+](C)C)cc1 ZINC000044901227 525354447 /nfs/dbraw/zinc/35/44/47/525354447.db2.gz PDOSIMRWWXJAIC-IBGZPJMESA-N 1 0 423.473 2.411 50 0 HEAARO CSCCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012595493 525369191 /nfs/dbraw/zinc/36/91/91/525369191.db2.gz AMLLXHJMBSXUGV-UHFFFAOYSA-N 1 0 407.580 2.443 50 0 HEAARO O=C1NCCN1c1ccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000020600237 527070698 /nfs/dbraw/zinc/07/06/98/527070698.db2.gz WFDYFDGJLRVHJX-LJQANCHMSA-N 1 0 400.548 2.347 50 0 HEAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1ccccc1F ZINC000044917001 527415744 /nfs/dbraw/zinc/41/57/44/527415744.db2.gz SDPORCTVCHRRQK-UHFFFAOYSA-N 1 0 421.476 2.343 50 0 HEAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000043940982 527610850 /nfs/dbraw/zinc/61/08/50/527610850.db2.gz IBWSRSQAJWEZCL-UHFFFAOYSA-N 1 0 401.488 2.444 50 0 HEAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677589 557365286 /nfs/dbraw/zinc/36/52/86/557365286.db2.gz ZMNJDHUVWLBPRE-GOSISDBHSA-N 1 0 418.513 2.412 50 0 HEAARO CC[NH+](CC)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004291505 557536497 /nfs/dbraw/zinc/53/64/97/557536497.db2.gz OAXSHDRJFZFRAW-UHFFFAOYSA-N 1 0 401.960 2.199 50 0 HEAARO O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004591423 557570321 /nfs/dbraw/zinc/57/03/21/557570321.db2.gz ILNLTZQJEFKERI-UHFFFAOYSA-N 1 0 420.513 2.251 50 0 HEAARO COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1=O ZINC000022697647 557784304 /nfs/dbraw/zinc/78/43/04/557784304.db2.gz MUIQKSIKZJBNJX-FQEVSTJZSA-N 1 0 405.926 2.499 50 0 HEAARO Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000022796119 557822910 /nfs/dbraw/zinc/82/29/10/557822910.db2.gz UVBUEOVWJNBZIB-OAQYLSRUSA-N 1 0 412.509 2.486 50 0 HEAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2)[C@H]1CCOC1 ZINC000019740422 558261325 /nfs/dbraw/zinc/26/13/25/558261325.db2.gz DSDKNJQIJRGLTF-HNNXBMFYSA-N 1 0 423.439 2.008 50 0 HEAARO CCOC(=O)N1CCN([C@H]2CCC[N@@H+](C3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000019743545 558264204 /nfs/dbraw/zinc/26/42/04/558264204.db2.gz QDLXDDUZBVDRMU-FQEVSTJZSA-N 1 0 404.555 2.483 50 0 HEAARO CCOC(=O)N1CCC([NH2+]Cc2c(C(=O)N3CCCC3)nc3sccn23)CC1 ZINC000011664279 558267829 /nfs/dbraw/zinc/26/78/29/558267829.db2.gz DTVZYSSWOQVJPG-UHFFFAOYSA-N 1 0 405.524 2.342 50 0 HEAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1O ZINC000011668132 558269773 /nfs/dbraw/zinc/26/97/73/558269773.db2.gz YWWSSKRPPIHWBU-DNQXCXABSA-N 1 0 405.546 2.436 50 0 HEAARO COC[C@@H](O)CNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011706408 558270890 /nfs/dbraw/zinc/27/08/90/558270890.db2.gz PUUFEADQQXEYFY-KRWDZBQOSA-N 1 0 406.523 2.218 50 0 HEAARO COCC[NH+]1CCC(CN(C)C(=O)c2cn(Cc3ccccc3Cl)nn2)CC1 ZINC000011813968 558278291 /nfs/dbraw/zinc/27/82/91/558278291.db2.gz QUYKSOYIVXRZEV-UHFFFAOYSA-N 1 0 405.930 2.410 50 0 HEAARO COc1ccccc1N1CC[NH+](C[C@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771051 558279671 /nfs/dbraw/zinc/27/96/71/558279671.db2.gz OBSAWMCJIMPABH-OALUTQOASA-N 1 0 414.502 2.035 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)cc1OC ZINC000019836352 558292816 /nfs/dbraw/zinc/29/28/16/558292816.db2.gz AHYMNNBITOKUCQ-UHFFFAOYSA-N 1 0 421.501 2.284 50 0 HEAARO CSc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000012031340 558311399 /nfs/dbraw/zinc/31/13/99/558311399.db2.gz PZESXPQZCLTDAH-GOSISDBHSA-N 1 0 423.608 2.305 50 0 HEAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2cccs2)CC3)cc1 ZINC000012037836 558312100 /nfs/dbraw/zinc/31/21/00/558312100.db2.gz NLSWZLKHKBSDEK-UHFFFAOYSA-N 1 0 411.531 2.379 50 0 HEAARO C[C@H](C[N@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1 ZINC000012281165 558365212 /nfs/dbraw/zinc/36/52/12/558365212.db2.gz VCYQNJBIOIHSAV-GOSISDBHSA-N 1 0 404.518 2.307 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CC[NH+](CC)CC1)COC(C)(C)C2 ZINC000020461789 558373373 /nfs/dbraw/zinc/37/33/73/558373373.db2.gz PFQGPLOHTXEVFY-UHFFFAOYSA-N 1 0 409.552 2.352 50 0 HEAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CC[NH+](CC)CC1 ZINC000020462550 558373810 /nfs/dbraw/zinc/37/38/10/558373810.db2.gz KCLLBYJMUMSSKP-UHFFFAOYSA-N 1 0 402.495 2.319 50 0 HEAARO CN(C)c1ncc(C[NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)s1 ZINC000020515267 558382658 /nfs/dbraw/zinc/38/26/58/558382658.db2.gz ZZBHARXOLYQJCQ-CQSZACIVSA-N 1 0 404.540 2.218 50 0 HEAARO CN1CC[NH+](C2(CNC(=O)COc3ccc4ccc(=O)oc4c3)CCCCC2)CC1 ZINC000020625034 558394634 /nfs/dbraw/zinc/39/46/34/558394634.db2.gz AQJKAESLEXQGHJ-UHFFFAOYSA-N 1 0 413.518 2.238 50 0 biogenic HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccnn1C ZINC000012471458 558422059 /nfs/dbraw/zinc/42/20/59/558422059.db2.gz YGGUNGWHOFWLNV-UHFFFAOYSA-N 1 0 400.523 2.430 50 0 HEAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)nc(-c3cccc(F)c3)nc2n(C)c1=O ZINC000004341384 558425046 /nfs/dbraw/zinc/42/50/46/558425046.db2.gz WLRKFOLAFBLPIG-UHFFFAOYSA-N 1 0 415.494 2.021 50 0 HEAARO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](CCCc1ccccc1)CC2 ZINC000012572821 558429716 /nfs/dbraw/zinc/42/97/16/558429716.db2.gz HCXRZJBFFWPHPL-IBGZPJMESA-N 1 0 405.568 2.015 50 0 HEAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NC[C@@H]3COCCO3)CC2)CC1 ZINC000012581116 558432678 /nfs/dbraw/zinc/43/26/78/558432678.db2.gz XBVSBYCFCUTKPY-HSZRJFAPSA-N 1 0 415.578 2.203 50 0 HEAARO COc1ccc(OC)c(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c1 ZINC000021795037 558449420 /nfs/dbraw/zinc/44/94/20/558449420.db2.gz ICQCNIQQBNLNDZ-UHFFFAOYSA-N 1 0 400.483 2.222 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000021795241 558449602 /nfs/dbraw/zinc/44/96/02/558449602.db2.gz VFUOZZMLXIFZHK-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO CC(=O)N1CCc2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccccc3F)ccc21 ZINC000059746228 558481043 /nfs/dbraw/zinc/48/10/43/558481043.db2.gz XSXIQOFJRCFHTP-UHFFFAOYSA-N 1 0 419.522 2.487 50 0 HEAARO C[C@H]1C[C@H](C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2F)C1 ZINC000004385500 558482732 /nfs/dbraw/zinc/48/27/32/558482732.db2.gz SEVUNENTHZQWCK-GJZGRUSLSA-N 1 0 413.497 2.099 50 0 HEAARO COc1ccc(OCC[N@H+](C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000025053778 558628995 /nfs/dbraw/zinc/62/89/95/558628995.db2.gz XWXDDKBFDZFTMC-UHFFFAOYSA-N 1 0 408.520 2.335 50 0 HEAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000025784922 558650371 /nfs/dbraw/zinc/65/03/71/558650371.db2.gz JRUPAYMUOJZFSI-UHFFFAOYSA-N 1 0 403.504 2.319 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cn2)CC1 ZINC000065166786 558652743 /nfs/dbraw/zinc/65/27/43/558652743.db2.gz CARJGNJVHMKPAV-GOSISDBHSA-N 1 0 400.571 2.093 50 0 HEAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)s3)C[C@@H]12 ZINC000014530981 558655778 /nfs/dbraw/zinc/65/57/78/558655778.db2.gz ORDVMHINJAYCDI-XIRDDKMYSA-N 1 0 419.934 2.176 50 0 HEAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C3CCOCC3)CC2)C1=O ZINC000014532188 558656404 /nfs/dbraw/zinc/65/64/04/558656404.db2.gz BJALPQRQTUADJA-UHFFFAOYSA-N 1 0 401.507 2.111 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000026392767 558660150 /nfs/dbraw/zinc/66/01/50/558660150.db2.gz YYPKGNGEBFVJRF-GOSISDBHSA-N 1 0 422.576 2.067 50 0 HEAARO COC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000026455898 558661267 /nfs/dbraw/zinc/66/12/67/558661267.db2.gz BVDXLXKEEVSGNH-IBGZPJMESA-N 1 0 403.479 2.361 50 0 HEAARO CC(=O)N1CCc2cc(S(=O)(=O)NCCC[N@@H+]3CCc4ccccc4C3)ccc21 ZINC000026833037 558665677 /nfs/dbraw/zinc/66/56/77/558665677.db2.gz ZDWDJLOOHXLTTH-UHFFFAOYSA-N 1 0 413.543 2.322 50 0 HEAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014743444 558667850 /nfs/dbraw/zinc/66/78/50/558667850.db2.gz YPDFVDCARVMXMF-GOSISDBHSA-N 1 0 418.582 2.154 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H](C)CSC)CC2 ZINC000014744940 558668800 /nfs/dbraw/zinc/66/88/00/558668800.db2.gz GVCUDBHICLRAQU-QGZVFWFLSA-N 1 0 420.579 2.468 50 0 HEAARO COc1cccc(Cn2nc(C(=O)N3CCC[C@@H](O)C3)c3c2CCN(C2CCC2)C3)c1 ZINC000014745248 558668814 /nfs/dbraw/zinc/66/88/14/558668814.db2.gz YEJPQZNSLIJPNZ-LJQANCHMSA-N 1 0 424.545 2.448 50 0 HEAARO COc1cccc([C@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)[NH+]2CCCC2)c1 ZINC000027343121 558672335 /nfs/dbraw/zinc/67/23/35/558672335.db2.gz LBQGCDQNNFLVGA-NRFANRHFSA-N 1 0 408.502 2.302 50 0 HEAARO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014955705 558682431 /nfs/dbraw/zinc/68/24/31/558682431.db2.gz ALHTUPJKXZVCSH-HXUWFJFHSA-N 1 0 406.534 2.497 50 0 HEAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CCNC(=O)c3ccco3)n2CC1 ZINC000014965314 558685445 /nfs/dbraw/zinc/68/54/45/558685445.db2.gz ITEIWEHOMMNRLG-UHFFFAOYSA-N 1 0 409.490 2.301 50 0 HEAARO CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014973310 558688456 /nfs/dbraw/zinc/68/84/56/558688456.db2.gz RPMSETUUXVDSDQ-LJQANCHMSA-N 1 0 400.567 2.145 50 0 HEAARO CC[C@H](O)CNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000014976113 558689279 /nfs/dbraw/zinc/68/92/79/558689279.db2.gz FJTDDKLDWWCXJW-SFHVURJKSA-N 1 0 400.523 2.396 50 0 HEAARO C[C@H](C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)N1CCOCC1 ZINC000014985295 558692825 /nfs/dbraw/zinc/69/28/25/558692825.db2.gz ADDXXNYNNWJHSV-TZIWHRDSSA-N 1 0 401.551 2.037 50 0 HEAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000015023892 558703441 /nfs/dbraw/zinc/70/34/41/558703441.db2.gz CULQEVCYTRWTCE-KRWDZBQOSA-N 1 0 403.548 2.130 50 0 HEAARO Cc1ncsc1CCC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCOCC2)c1 ZINC000015067060 558709908 /nfs/dbraw/zinc/70/99/08/558709908.db2.gz YIYMCRPWOYYOER-IBGZPJMESA-N 1 0 405.564 2.246 50 0 HEAARO COc1cccc(C[NH2+]CCCc2ccccc2)c1OC[C@H](O)CN1CCOCC1 ZINC000015071458 558713230 /nfs/dbraw/zinc/71/32/30/558713230.db2.gz USEZCRVERKPEJZ-JOCHJYFZSA-N 1 0 414.546 2.490 50 0 HEAARO COc1cc(CN(C)Cc2ccno2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000015078516 558717607 /nfs/dbraw/zinc/71/76/07/558717607.db2.gz CAXGJQJDZRATNA-KRWDZBQOSA-N 1 0 407.536 2.104 50 0 HEAARO C[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022221 558768181 /nfs/dbraw/zinc/76/81/81/558768181.db2.gz SXVOGORCJGPMFL-LDVYWZEYSA-N 1 0 409.873 2.323 50 0 HEAARO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)c1 ZINC000035422096 558791895 /nfs/dbraw/zinc/79/18/95/558791895.db2.gz YKCGHIKSZBHTNF-UHFFFAOYSA-N 1 0 422.529 2.418 50 0 HEAARO O=C(CCCN1CCCC1=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055284719 558878734 /nfs/dbraw/zinc/87/87/34/558878734.db2.gz PGWPUXYXBQKAGY-NRFANRHFSA-N 1 0 416.541 2.341 50 0 HEAARO O=C([C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3cccs3)CC2)C1)N1CCCC1 ZINC000071708147 558907124 /nfs/dbraw/zinc/90/71/24/558907124.db2.gz OMYGKVNYFVZNIH-INIZCTEOSA-N 1 0 411.593 2.236 50 0 HEAARO Cc1ccc(N2N=C(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)NCC2=O)cc1 ZINC000058167740 558907539 /nfs/dbraw/zinc/90/75/39/558907539.db2.gz POODIPDNANDYKW-SFHVURJKSA-N 1 0 409.490 2.181 50 0 HEAARO CCS(=O)(=O)c1ncc(CN2CC[C@@H]([NH+](C)C)C2)n1CCCc1ccccc1 ZINC000019537769 558914005 /nfs/dbraw/zinc/91/40/05/558914005.db2.gz ARNRSRBAFAFSCC-LJQANCHMSA-N 1 0 404.580 2.445 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)[nH+]1 ZINC000072139310 558928997 /nfs/dbraw/zinc/92/89/97/558928997.db2.gz PKWUIWATHOCAJB-UHFFFAOYSA-N 1 0 414.485 2.423 50 0 HEAARO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000060167959 558941501 /nfs/dbraw/zinc/94/15/01/558941501.db2.gz HRSAGFDKRBZQOF-UHFFFAOYSA-N 1 0 400.433 2.073 50 0 HEAARO COCC1CCN(Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)CC1 ZINC000019608332 558946625 /nfs/dbraw/zinc/94/66/25/558946625.db2.gz BJEADPQRCQQUDV-UHFFFAOYSA-N 1 0 405.568 2.032 50 0 HEAARO Cc1cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799791 558965600 /nfs/dbraw/zinc/96/56/00/558965600.db2.gz TUPWBRCCXMBXPB-UHFFFAOYSA-N 1 0 409.490 2.466 50 0 biogenic HEAARO Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799871 558965730 /nfs/dbraw/zinc/96/57/30/558965730.db2.gz ODJHQPHYOIUWJJ-UHFFFAOYSA-N 1 0 419.888 2.377 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065362004 558972478 /nfs/dbraw/zinc/97/24/78/558972478.db2.gz CDNXDSQRCPZXIU-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000065361908 558972514 /nfs/dbraw/zinc/97/25/14/558972514.db2.gz GBTQPVGLSKGELG-UHFFFAOYSA-N 1 0 401.536 2.205 50 0 HEAARO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000065363869 558974891 /nfs/dbraw/zinc/97/48/91/558974891.db2.gz GJWUXMMCCONZTN-QGZVFWFLSA-N 1 0 416.547 2.232 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc(N2CCCC2)[nH+]1 ZINC000065363888 558974918 /nfs/dbraw/zinc/97/49/18/558974918.db2.gz QWYYFRLLCHIAPE-UHFFFAOYSA-N 1 0 423.489 2.174 50 0 HEAARO Cc1cccc(C(=O)N2CCC3(CN(CCN4CC[C@H]([NH+](C)C)C4)C(=O)O3)CC2)c1 ZINC000072423154 558978592 /nfs/dbraw/zinc/97/85/92/558978592.db2.gz XFRSYIVBDVNQGX-FQEVSTJZSA-N 1 0 414.550 2.058 50 0 HEAARO CNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)s1 ZINC000072434213 558979848 /nfs/dbraw/zinc/97/98/48/558979848.db2.gz GQOPCOAXGUBNDW-MRXNPFEDSA-N 1 0 401.536 2.094 50 0 HEAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(N2CCOCC2)[nH+]1 ZINC000067629979 558990314 /nfs/dbraw/zinc/99/03/14/558990314.db2.gz RHORNRDPJHEFDW-UHFFFAOYSA-N 1 0 418.448 2.254 50 0 HEAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)Nc1ccccc1 ZINC000096836873 558993035 /nfs/dbraw/zinc/99/30/35/558993035.db2.gz NGDTWERHYWDOOP-UHFFFAOYSA-N 1 0 403.486 2.204 50 0 HEAARO O=C(CCCc1cn[nH]c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000067920665 558994791 /nfs/dbraw/zinc/99/47/91/558994791.db2.gz WIPBRWYJVSTMCU-LJQANCHMSA-N 1 0 401.555 2.058 50 0 HEAARO C[N@H+](Cc1ccc(C(=O)NCc2cnc3ccccc3c2)c(=O)[nH]1)C1CCOCC1 ZINC000077338190 559001686 /nfs/dbraw/zinc/00/16/86/559001686.db2.gz ZVXOETMKAZXCIP-UHFFFAOYSA-N 1 0 406.486 2.464 50 0 HEAARO CN(C)S(=O)(=O)N(CC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000033269421 559032296 /nfs/dbraw/zinc/03/22/96/559032296.db2.gz RXWARLXJHJUYQN-UHFFFAOYSA-N 1 0 410.584 2.070 50 0 HEAARO Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092329 559037127 /nfs/dbraw/zinc/03/71/27/559037127.db2.gz NWPDLMUJWSZULM-HXUWFJFHSA-N 1 0 410.566 2.116 50 0 HEAARO Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082108007 559038535 /nfs/dbraw/zinc/03/85/35/559038535.db2.gz ZTXUERZRKGFQCK-HXUWFJFHSA-N 1 0 410.566 2.116 50 0 HEAARO COCC1(N(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082108601 559038597 /nfs/dbraw/zinc/03/85/97/559038597.db2.gz IYQRYSKOEDXMNR-HXUWFJFHSA-N 1 0 400.567 2.395 50 0 HEAARO Cc1nn(C)cc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082108927 559038841 /nfs/dbraw/zinc/03/88/41/559038841.db2.gz RNADMWGTXSVOKW-HXUWFJFHSA-N 1 0 410.566 2.116 50 0 HEAARO CCc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)no1 ZINC000082108813 559038892 /nfs/dbraw/zinc/03/88/92/559038892.db2.gz VBBJDXFRKGPYJE-KRWDZBQOSA-N 1 0 412.538 2.020 50 0 HEAARO O=C(CC(F)(F)F)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082139195 559040851 /nfs/dbraw/zinc/04/08/51/559040851.db2.gz UAGMGDRHNYOOAA-HNNXBMFYSA-N 1 0 412.456 2.353 50 0 HEAARO CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082161990 559041875 /nfs/dbraw/zinc/04/18/75/559041875.db2.gz QBUFIIAUJAEERJ-HXUWFJFHSA-N 1 0 408.550 2.207 50 0 HEAARO Cc1cc(C)cc(CCC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c1 ZINC000095363345 559080079 /nfs/dbraw/zinc/08/00/79/559080079.db2.gz DYJWTOJYVCGCHU-PKTZIBPZSA-N 1 0 401.595 2.473 50 0 HEAARO CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000100001964 559128310 /nfs/dbraw/zinc/12/83/10/559128310.db2.gz HTIQEAQVCYTUBX-KRWDZBQOSA-N 1 0 408.882 2.266 50 0 fda HEAARO COCC[N@@H+]1CCCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000328593835 559166960 /nfs/dbraw/zinc/16/69/60/559166960.db2.gz PUHMBCGOCOHGOX-UHFFFAOYSA-N 1 0 408.296 2.497 50 0 HEAARO COc1ccc(-c2cnc3ncnn3c2N2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000023331646 559170454 /nfs/dbraw/zinc/17/04/54/559170454.db2.gz CQYYLXWVTSGERP-GOSISDBHSA-N 1 0 421.549 2.264 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nnnn3C(C)(C)C)cc2)CC1 ZINC000014676297 559172115 /nfs/dbraw/zinc/17/21/15/559172115.db2.gz JHKGBHVSUAVVIZ-UHFFFAOYSA-N 1 0 403.556 2.301 50 0 HEAARO COc1cccc([C@H](CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)[NH+](C)C)c1 ZINC000023548694 559176865 /nfs/dbraw/zinc/17/68/65/559176865.db2.gz FGQBGQOIHFZWDK-FQEVSTJZSA-N 1 0 419.547 2.415 50 0 HEAARO COc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)cc1 ZINC000004851770 559191197 /nfs/dbraw/zinc/19/11/97/559191197.db2.gz DDBPTVRGECOEMV-UHFFFAOYSA-N 1 0 416.547 2.423 50 0 HEAARO CC(=O)c1cccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)c1 ZINC000004851712 559191220 /nfs/dbraw/zinc/19/12/20/559191220.db2.gz DUXNFXQGTOZHSE-UHFFFAOYSA-N 1 0 414.531 2.227 50 0 HEAARO Nc1cc(N)[nH+]c(SCC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000011769771 559258510 /nfs/dbraw/zinc/25/85/10/559258510.db2.gz YNFDEBIDENGLRE-UHFFFAOYSA-N 1 0 415.519 2.133 50 0 HEAARO CC[NH+](CC)CCN(Cc1cccs1)c1ncnc2c1cnn2CC(=O)OC ZINC000079098995 560541273 /nfs/dbraw/zinc/54/12/73/560541273.db2.gz ORJJIYGAFLFYQE-UHFFFAOYSA-N 1 0 402.524 2.409 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2c1cccc2Cl ZINC000005345814 560569977 /nfs/dbraw/zinc/56/99/77/560569977.db2.gz KYZBMKUVKDJACM-PTDBIEIZSA-N 1 0 419.909 2.143 50 0 HEAARO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)[C@H](C)C2)c1 ZINC000064459824 560810851 /nfs/dbraw/zinc/81/08/51/560810851.db2.gz ISCVRDHTWLPHEP-QGZVFWFLSA-N 1 0 421.505 2.166 50 0 HEAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106166919 560884984 /nfs/dbraw/zinc/88/49/84/560884984.db2.gz DIMZZKBXXKBDTL-ROUUACIJSA-N 1 0 407.518 2.411 50 0 HEAARO C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(C(=O)Nc2nncs2)CC1 ZINC000048229812 568433271 /nfs/dbraw/zinc/43/32/71/568433271.db2.gz FXAJXZSHXILQGB-LBPRGKRZSA-N 1 0 405.549 2.224 50 0 HEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000048310476 568436683 /nfs/dbraw/zinc/43/66/83/568436683.db2.gz MWSJDPNBNNNLQJ-QZTJIDSGSA-N 1 0 421.607 2.452 50 0 HEAARO Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)NCC[NH+]4CCCCC4)CC3)n2)n1 ZINC000049411619 568450199 /nfs/dbraw/zinc/45/01/99/568450199.db2.gz JXKLXKCWIWLQKR-UHFFFAOYSA-N 1 0 411.554 2.098 50 0 HEAARO CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000222035987 568513713 /nfs/dbraw/zinc/51/37/13/568513713.db2.gz TYTHSCYEJUUBHO-YJBOKZPZSA-N 1 0 422.595 2.130 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214260 568594728 /nfs/dbraw/zinc/59/47/28/568594728.db2.gz KNRVBYUXFRNVLV-MGPUTAFESA-N 1 0 418.513 2.413 50 0 HEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)CC1 ZINC000095432323 568609324 /nfs/dbraw/zinc/60/93/24/568609324.db2.gz WAXKNGLMEBKUAP-UZLBHIALSA-N 1 0 414.550 2.342 50 0 HEAARO CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cccc(CCN2CC[NH+](C)CC2)c1 ZINC000095457793 568618761 /nfs/dbraw/zinc/61/87/61/568618761.db2.gz CKCOELGJKFFRSR-NRFANRHFSA-N 1 0 400.567 2.452 50 0 HEAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@@]21c2ccccc2NC1=O ZINC000020610789 568637061 /nfs/dbraw/zinc/63/70/61/568637061.db2.gz GWRJPJGBVZPRFD-XHOYROJHSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)oc4ncn(C)c(=O)c43)cc2)CC1 ZINC000020942116 568652956 /nfs/dbraw/zinc/65/29/56/568652956.db2.gz XAHQRLKEEFCXIG-UHFFFAOYSA-N 1 0 409.490 2.225 50 0 HEAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026853 568658896 /nfs/dbraw/zinc/65/88/96/568658896.db2.gz KTMYZCOXGYMRRX-INIZCTEOSA-N 1 0 422.599 2.120 50 0 HEAARO CS[C@@H]1CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000095946054 568663871 /nfs/dbraw/zinc/66/38/71/568663871.db2.gz KJBAEFFVLSRNCH-GGXPGOJBSA-N 1 0 400.610 2.223 50 0 HEAARO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 ZINC000095984115 568675909 /nfs/dbraw/zinc/67/59/09/568675909.db2.gz YGBYISXENMCGMU-UHFFFAOYSA-N 1 0 423.000 2.285 50 0 HEAARO COc1cc(COC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000021487157 568704140 /nfs/dbraw/zinc/70/41/40/568704140.db2.gz HABQIBLFPPJJFW-HXUWFJFHSA-N 1 0 416.518 2.412 50 0 HEAARO COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cn(C)c3ccccc23)[NH+](C)C)cc1 ZINC000021698472 568741132 /nfs/dbraw/zinc/74/11/32/568741132.db2.gz JMSJHSANRJGGPQ-HXUWFJFHSA-N 1 0 422.485 2.323 50 0 HEAARO Cn1cc([C@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)[NH+](C)C)c2ccccc21 ZINC000021698456 568741226 /nfs/dbraw/zinc/74/12/26/568741226.db2.gz AOMAHCRGXXZZBW-IBGZPJMESA-N 1 0 422.485 2.307 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582876 568771026 /nfs/dbraw/zinc/77/10/26/568771026.db2.gz CLWLDWOTUNLQGS-NRFANRHFSA-N 1 0 412.509 2.486 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc21 ZINC000002943102 568819536 /nfs/dbraw/zinc/81/95/36/568819536.db2.gz UFGQBBWHYQEOAS-UHFFFAOYSA-N 1 0 424.501 2.475 50 0 HEAARO Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)n21 ZINC000002947703 568820096 /nfs/dbraw/zinc/82/00/96/568820096.db2.gz YUBAXNQIVJGVPR-CALCHBBNSA-N 1 0 409.534 2.442 50 0 HEAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000056884925 568820858 /nfs/dbraw/zinc/82/08/58/568820858.db2.gz ZCRWNOLIMCKBTA-IBGZPJMESA-N 1 0 400.502 2.358 50 0 HEAARO Cc1n[nH]c(C)c1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299792352 568875988 /nfs/dbraw/zinc/87/59/88/568875988.db2.gz DPWLFOGNVUHYPJ-FQEVSTJZSA-N 1 0 416.497 2.436 50 0 HEAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cnc2c(c1)CCCC2 ZINC000670438655 568884608 /nfs/dbraw/zinc/88/46/08/568884608.db2.gz AEBWUHZYPMEVHT-JKJRPBHFSA-N 1 0 402.542 2.258 50 0 HEAARO O=C(CNC(=O)c1ccccc1Br)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338761 568924413 /nfs/dbraw/zinc/92/44/13/568924413.db2.gz FXNQXIQBMSLCAO-UHFFFAOYSA-N 1 0 416.319 2.353 50 0 HEAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2c1=O ZINC000004004904 568932961 /nfs/dbraw/zinc/93/29/61/568932961.db2.gz UDCNDFMYRPWAQZ-UHFFFAOYSA-N 1 0 400.523 2.486 50 0 HEAARO CCCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316416 568962112 /nfs/dbraw/zinc/96/21/12/568962112.db2.gz SLSJVZGSYRGTPE-UHFFFAOYSA-N 1 0 424.549 2.162 50 0 HEAARO Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000015727687 568978716 /nfs/dbraw/zinc/97/87/16/568978716.db2.gz OHQYMVKLPNJIGZ-UHFFFAOYSA-N 1 0 401.511 2.220 50 0 HEAARO CC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000015773302 568998853 /nfs/dbraw/zinc/99/88/53/568998853.db2.gz SYDBUUWTSKNTSV-HSZRJFAPSA-N 1 0 406.530 2.293 50 0 HEAARO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969558 569025160 /nfs/dbraw/zinc/02/51/60/569025160.db2.gz NRMUVLTVWIKAPL-XHOYROJHSA-N 1 0 403.482 2.306 50 0 biogenic HEAARO Cc1cccc(CN2CCCn3nc(C(=O)NCC[NH+]4CCCCC4)cc3C2=O)c1 ZINC000035429374 569036702 /nfs/dbraw/zinc/03/67/02/569036702.db2.gz OVBZBRLMFOPHJP-UHFFFAOYSA-N 1 0 409.534 2.453 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)C1CCN(S(C)(=O)=O)CC1)c1csc2ccccc21 ZINC000575620571 569038882 /nfs/dbraw/zinc/03/88/82/569038882.db2.gz LAGGHNHHSYZBPO-QGZVFWFLSA-N 1 0 409.577 2.292 50 0 HEAARO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000225421119 569039823 /nfs/dbraw/zinc/03/98/23/569039823.db2.gz UHSAGZRJQGGJMZ-GUDVDZBRSA-N 1 0 401.555 2.231 50 0 HEAARO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242281 569055384 /nfs/dbraw/zinc/05/53/84/569055384.db2.gz UQCYHMBLCNISLO-SMOZNVCYSA-N 1 0 417.465 2.435 50 0 HEAARO CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@H+](CC)C[C@@H]32)C1=O ZINC000245327363 569056024 /nfs/dbraw/zinc/05/60/24/569056024.db2.gz ORULVQPKGJSAEF-QGZVFWFLSA-N 1 0 418.925 2.224 50 0 HEAARO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000089512559 569062137 /nfs/dbraw/zinc/06/21/37/569062137.db2.gz SHMHSAIGIFTFGN-WOJBJXKFSA-N 1 0 404.580 2.122 50 0 HEAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006580026 569066869 /nfs/dbraw/zinc/06/68/69/569066869.db2.gz YENCCWUXGFEIHT-RTBURBONSA-N 1 0 405.564 2.032 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064865854 569110749 /nfs/dbraw/zinc/11/07/49/569110749.db2.gz PSVVZNALDOLHHW-SFHVURJKSA-N 1 0 424.611 2.277 50 0 HEAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCN4CC[NH+](C)CC4)cc3)ccc21 ZINC000065027004 569155900 /nfs/dbraw/zinc/15/59/00/569155900.db2.gz JLPYOJOVGRIHGF-UHFFFAOYSA-N 1 0 406.530 2.240 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000036390292 569165482 /nfs/dbraw/zinc/16/54/82/569165482.db2.gz QHLWJFWZGGGMRU-VQTJNVASSA-N 1 0 405.564 2.139 50 0 HEAARO CCn1c(C[N@@H+]2CCCC[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908098 569178694 /nfs/dbraw/zinc/17/86/94/569178694.db2.gz VZPYKDJDRPSVBJ-INIZCTEOSA-N 1 0 406.552 2.452 50 0 HEAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCC[NH+]1CCCCCC1)nc2C ZINC000006943713 569186952 /nfs/dbraw/zinc/18/69/52/569186952.db2.gz KJGIHSGHGMUQJA-UHFFFAOYSA-N 1 0 422.533 2.191 50 0 HEAARO COc1ccccc1CNC(=O)c1cnc(N2CC[NH+](C3CCCCC3)CC2)nc1N ZINC000065154741 569187901 /nfs/dbraw/zinc/18/79/01/569187901.db2.gz TYGKLGOPYYDRGH-UHFFFAOYSA-N 1 0 424.549 2.452 50 0 HEAARO CCOC(=O)N1CCN(C(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)CC1 ZINC000065256239 569208151 /nfs/dbraw/zinc/20/81/51/569208151.db2.gz QCKVKHSXFVJZNB-FQEVSTJZSA-N 1 0 423.517 2.147 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000007525142 569245798 /nfs/dbraw/zinc/24/57/98/569245798.db2.gz TUAXLNXIWYVBQZ-CQSZACIVSA-N 1 0 417.934 2.186 50 0 HEAARO O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1CCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089813219 569266407 /nfs/dbraw/zinc/26/64/07/569266407.db2.gz KHDCPGCENDOWTC-ZWKOTPCHSA-N 1 0 417.447 2.466 50 0 HEAARO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252467432 569287091 /nfs/dbraw/zinc/28/70/91/569287091.db2.gz KNNBOSIAGUCNBE-LSDHHAIUSA-N 1 0 406.324 2.499 50 0 HEAARO CCOC(=O)[C@@H]1[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506599 569291341 /nfs/dbraw/zinc/29/13/41/569291341.db2.gz WBKXAKZXEATMAC-KURKYZTESA-N 1 0 423.554 2.308 50 0 HEAARO C[NH+](C)CCNC(=O)Cn1ccs/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000037428300 569298827 /nfs/dbraw/zinc/29/88/27/569298827.db2.gz WASRGLFCUFOTAY-SILNSSARSA-N 1 0 401.319 2.275 50 0 HEAARO C[C@@H]1C[NH+](CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@@H](C)O1 ZINC000079064332 569426438 /nfs/dbraw/zinc/42/64/38/569426438.db2.gz NOPHDCGSYIYBMG-QZTJIDSGSA-N 1 0 413.522 2.303 50 0 HEAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C)CC2)CCO3)cc1OC ZINC000581784281 1078763851 /nfs/dbraw/zinc/76/38/51/1078763851.db2.gz PQHUNPKVRHYIIP-IBGZPJMESA-N 1 0 417.550 2.105 50 0 HEAARO CCn1nccc1C(=O)N1CCC([N@@H+]2C[C@@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802111 1078771486 /nfs/dbraw/zinc/77/14/86/1078771486.db2.gz FCGLEUSICDGYTH-HXUWFJFHSA-N 1 0 402.539 2.168 50 0 HEAARO Cc1ccc(NC(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)[N@H+](C)C3)CC2)cc1C ZINC000581802808 1078772336 /nfs/dbraw/zinc/77/23/36/1078772336.db2.gz PEEDLCZWWPGYFK-HXUWFJFHSA-N 1 0 414.550 2.480 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)CC2=C3CCCC[C@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581793361 1078775493 /nfs/dbraw/zinc/77/54/93/1078775493.db2.gz XAUIMIOWWGOFLB-HSZRJFAPSA-N 1 0 424.589 2.412 50 0 HEAARO Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C)CC2)CCO3)cc1 ZINC000575314006 1076219895 /nfs/dbraw/zinc/21/98/95/1076219895.db2.gz WYXYFBQDPXNTFK-FQEVSTJZSA-N 1 0 401.551 2.161 50 0 HEAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000002381421 132253612 /nfs/dbraw/zinc/25/36/12/132253612.db2.gz RUCMDQZNAIDCNI-UHFFFAOYSA-N 1 0 412.515 2.336 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)CC1 ZINC000008193665 132328663 /nfs/dbraw/zinc/32/86/63/132328663.db2.gz YPRXMHOHPZQPNN-WOJBJXKFSA-N 1 0 410.518 2.108 50 0 HEAARO COc1cccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023224718 132479451 /nfs/dbraw/zinc/47/94/51/132479451.db2.gz BEQUTUGOIHZQOT-HXUWFJFHSA-N 1 0 404.482 2.413 50 0 HEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355740 523821932 /nfs/dbraw/zinc/82/19/32/523821932.db2.gz YJMCDUQLMSLONJ-CYBMUJFWSA-N 1 0 402.476 2.338 50 0 HEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000045974818 524381794 /nfs/dbraw/zinc/38/17/94/524381794.db2.gz CTIGVGZXLGVGQK-UHFFFAOYSA-N 1 0 415.559 2.235 50 0 HEAARO NC(=O)[C@H]1CC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)=NN1c1ccccc1 ZINC000032772376 526998419 /nfs/dbraw/zinc/99/84/19/526998419.db2.gz ONLRHEJXXVVRJQ-RTWAWAEBSA-N 1 0 405.502 2.060 50 0 HEAARO CC[NH+](CC)CCNC(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936607 535528725 /nfs/dbraw/zinc/52/87/25/535528725.db2.gz ASLNSTMLURWNPH-UHFFFAOYSA-N 1 0 413.570 2.227 50 0 HEAARO CCn1cc(C[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)cn1 ZINC000011786003 536070748 /nfs/dbraw/zinc/07/07/48/536070748.db2.gz FEARHQGXYFMNNG-QFIPXVFZSA-N 1 0 411.550 2.259 50 0 HEAARO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccc(NC(=O)Cc3cccs3)cn2)CC1 ZINC000034668046 557361335 /nfs/dbraw/zinc/36/13/35/557361335.db2.gz VANBRZLBIGKXAI-SFHVURJKSA-N 1 0 418.563 2.232 50 0 HEAARO C[NH+](CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000004823323 557603314 /nfs/dbraw/zinc/60/33/14/557603314.db2.gz HHGSSKUYZADXFL-UHFFFAOYSA-N 1 0 405.454 2.291 50 0 HEAARO COc1cc(C)c(CN2CC[NH+](C[C@H](O)COCc3ccco3)CC2)cc1OC ZINC000022780507 557819613 /nfs/dbraw/zinc/81/96/13/557819613.db2.gz VLGYPDQBRMZTFZ-IBGZPJMESA-N 1 0 404.507 2.301 50 0 HEAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795009 557822265 /nfs/dbraw/zinc/82/22/65/557822265.db2.gz NGIMGZOCQBBSQU-OAQYLSRUSA-N 1 0 403.548 2.271 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1OC ZINC000011762933 558273643 /nfs/dbraw/zinc/27/36/43/558273643.db2.gz QBMFZALGAXZALU-SFHVURJKSA-N 1 0 404.507 2.447 50 0 HEAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCc2cscn2)C[C@H](C)O1 ZINC000019795088 558284330 /nfs/dbraw/zinc/28/43/30/558284330.db2.gz VNSKTBTUGBYUHZ-BETUJISGSA-N 1 0 405.549 2.434 50 0 HEAARO CCC[NH+]1CCN(C(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)CC1 ZINC000011841834 558287509 /nfs/dbraw/zinc/28/75/09/558287509.db2.gz NCNICGXDQXPCPI-JOCHJYFZSA-N 1 0 405.514 2.360 50 0 HEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011879085 558293697 /nfs/dbraw/zinc/29/36/97/558293697.db2.gz MAMZFPMAKBCNQB-IBGZPJMESA-N 1 0 412.534 2.206 50 0 HEAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)C3=NN(C)C(=O)CC3)C2)cc1 ZINC000011952962 558303043 /nfs/dbraw/zinc/30/30/43/558303043.db2.gz XUWKECKWBMTTIS-GOSISDBHSA-N 1 0 400.523 2.016 50 0 HEAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000011965900 558304289 /nfs/dbraw/zinc/30/42/89/558304289.db2.gz VBFARSRRFPKORQ-IBGZPJMESA-N 1 0 415.538 2.195 50 0 HEAARO COc1cc2cc(C[NH2+]C[C@H](O)CO)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012211884 558354042 /nfs/dbraw/zinc/35/40/42/558354042.db2.gz VPPBPLHEGZNQJP-SFHVURJKSA-N 1 0 404.507 2.042 50 0 HEAARO Cc1occc1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2ccoc2C)CC1 ZINC000020295958 558354429 /nfs/dbraw/zinc/35/44/29/558354429.db2.gz GLCAYJHNIOXINI-UHFFFAOYSA-N 1 0 416.522 2.047 50 0 HEAARO CCc1c(C(=O)NCc2c(C)nn(C)c2C)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000012219079 558354846 /nfs/dbraw/zinc/35/48/46/558354846.db2.gz RXEVUJLHMMXYDD-GOSISDBHSA-N 1 0 413.566 2.484 50 0 HEAARO O=C([C@H]1CCC(=O)N(CC2CCCCC2)C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000020455012 558368937 /nfs/dbraw/zinc/36/89/37/558368937.db2.gz LYMYVPSPJQURIU-NRFANRHFSA-N 1 0 405.583 2.376 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccc(=O)[nH]n2)C1 ZINC000012299994 558370127 /nfs/dbraw/zinc/37/01/27/558370127.db2.gz AGXBQAOKQVMAQG-SFHVURJKSA-N 1 0 412.534 2.124 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)Cc3nonc3C)C2)cc1OC ZINC000012302708 558372432 /nfs/dbraw/zinc/37/24/32/558372432.db2.gz OXEHDLNUYXSQKU-QGZVFWFLSA-N 1 0 402.495 2.103 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 ZINC000012315791 558379157 /nfs/dbraw/zinc/37/91/57/558379157.db2.gz UHTQSIQTQMRWQI-UHFFFAOYSA-N 1 0 405.539 2.165 50 0 HEAARO Cc1nonc1CN(C)C(=O)c1c(=O)cc(C)n(CC[NH+](C)C)c1CC1CCCC1 ZINC000012333384 558385670 /nfs/dbraw/zinc/38/56/70/558385670.db2.gz HQSJJAKIVGSVSU-UHFFFAOYSA-N 1 0 415.538 2.415 50 0 HEAARO COc1cccc(OC[C@@H](O)C[NH2+]Cc2c(C(=O)N3CCCC3)nc3ccccn32)c1 ZINC000012430781 558405466 /nfs/dbraw/zinc/40/54/66/558405466.db2.gz GZTWBAOFTVFQOT-KRWDZBQOSA-N 1 0 424.501 2.108 50 0 HEAARO CC(C)CS(=O)(=O)c1ncc(CN2CC[C@H]([NH+](C)C)C2)n1Cc1ccccc1 ZINC000020910393 558422071 /nfs/dbraw/zinc/42/20/71/558422071.db2.gz OPTKRAPEDMJUTL-IBGZPJMESA-N 1 0 404.580 2.497 50 0 HEAARO C[NH+](C)CCCN(C(=O)CN1C(=O)CCC1=O)c1nc2c(cccc2Cl)s1 ZINC000004359791 558456993 /nfs/dbraw/zinc/45/69/93/558456993.db2.gz ZNXUOVQJNCPCIT-UHFFFAOYSA-N 1 0 408.911 2.383 50 0 HEAARO CC(=O)c1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 ZINC000012744920 558457871 /nfs/dbraw/zinc/45/78/71/558457871.db2.gz FHCXVVYPTVQZOF-UHFFFAOYSA-N 1 0 413.562 2.424 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000012794343 558467456 /nfs/dbraw/zinc/46/74/56/558467456.db2.gz QOWMHKYQBRXSOL-UHFFFAOYSA-N 1 0 423.579 2.085 50 0 HEAARO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012938166 558486934 /nfs/dbraw/zinc/48/69/34/558486934.db2.gz DOLJJAJHUNBOIQ-KRWDZBQOSA-N 1 0 412.515 2.095 50 0 HEAARO C[C@H]1Cc2cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)ccc2N1S(C)(=O)=O ZINC000023133194 558537264 /nfs/dbraw/zinc/53/72/64/558537264.db2.gz AJAHPHLUQWPGFC-SCLBCKFNSA-N 1 0 407.561 2.491 50 0 HEAARO COc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000023740152 558572795 /nfs/dbraw/zinc/57/27/95/558572795.db2.gz WMZXQWLXGGACDT-IBGZPJMESA-N 1 0 411.502 2.387 50 0 HEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000014254361 558650973 /nfs/dbraw/zinc/65/09/73/558650973.db2.gz NXGKBVXLNNNIOJ-CQSZACIVSA-N 1 0 419.503 2.091 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(OC)c1)C2 ZINC000014536337 558658268 /nfs/dbraw/zinc/65/82/68/558658268.db2.gz ULLFDGPBHBRKRQ-GOSISDBHSA-N 1 0 412.534 2.074 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+]([C@@H]3CCSC3)CC2)C1=O ZINC000014543313 558661078 /nfs/dbraw/zinc/66/10/78/558661078.db2.gz AFGMGOBXPNMSJZ-LJQANCHMSA-N 1 0 417.575 2.480 50 0 HEAARO COc1cccc(Cn2nc(C(=O)N3CCC[C@H](O)C3)c3c2CCN(C2CCC2)C3)c1 ZINC000014745249 558668706 /nfs/dbraw/zinc/66/87/06/558668706.db2.gz YEJPQZNSLIJPNZ-IBGZPJMESA-N 1 0 424.545 2.448 50 0 HEAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014749366 558670433 /nfs/dbraw/zinc/67/04/33/558670433.db2.gz UTRXSSHEBRXHIK-UHFFFAOYSA-N 1 0 407.518 2.206 50 0 HEAARO C[C@@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014752059 558671019 /nfs/dbraw/zinc/67/10/19/558671019.db2.gz IOZMJZLTKZCFCA-SFHVURJKSA-N 1 0 408.502 2.261 50 0 HEAARO Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)CC1 ZINC000027389967 558672848 /nfs/dbraw/zinc/67/28/48/558672848.db2.gz GTUAQWBLMZIFIK-JOCHJYFZSA-N 1 0 404.518 2.500 50 0 HEAARO C[C@@H](C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)N1CCOCC1 ZINC000014985298 558692904 /nfs/dbraw/zinc/69/29/04/558692904.db2.gz ADDXXNYNNWJHSV-PZJWPPBQSA-N 1 0 401.551 2.037 50 0 HEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](Cc3ccccc3)n3cnnn3)CC2)cc1 ZINC000029097163 558709883 /nfs/dbraw/zinc/70/98/83/558709883.db2.gz RNOGKUOWXCTRED-QFIPXVFZSA-N 1 0 404.518 2.500 50 0 HEAARO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCC(=O)N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000015108592 558723503 /nfs/dbraw/zinc/72/35/03/558723503.db2.gz TYIUACDVEQXMMP-JKSUJKDBSA-N 1 0 413.474 2.326 50 0 HEAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000022937667 558725870 /nfs/dbraw/zinc/72/58/70/558725870.db2.gz UKNAWNLYLUONAZ-DEOSSOPVSA-N 1 0 420.557 2.288 50 0 HEAARO CC(=O)NCc1ccc(S(=O)(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)s1 ZINC000030422112 558730029 /nfs/dbraw/zinc/73/00/29/558730029.db2.gz ADZITVHQFUVINT-QGZVFWFLSA-N 1 0 401.598 2.419 50 0 HEAARO C[C@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022241 558768116 /nfs/dbraw/zinc/76/81/16/558768116.db2.gz VFEXCJGQOMAQCM-QGIWFNAWSA-N 1 0 409.873 2.323 50 0 HEAARO COc1ccccc1N1CC[NH+](C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019731867 558777397 /nfs/dbraw/zinc/77/73/97/558777397.db2.gz HGZOPKBXLASADY-SFHVURJKSA-N 1 0 400.475 2.124 50 0 HEAARO O[C@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022077482 558778974 /nfs/dbraw/zinc/77/89/74/558778974.db2.gz LZJPRBUYHCLOCZ-PMACEKPBSA-N 1 0 402.466 2.165 50 0 HEAARO CCOC[C@H](O)CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000039447151 558821483 /nfs/dbraw/zinc/82/14/83/558821483.db2.gz VHONDFGTBUWILR-HXUWFJFHSA-N 1 0 413.518 2.252 50 0 HEAARO CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12 ZINC000043178353 558832154 /nfs/dbraw/zinc/83/21/54/558832154.db2.gz MOZRQQTUYAYCQT-FQEVSTJZSA-N 1 0 400.433 2.136 50 0 in-vivo HEAARO CCCNC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCC(CO)CC1)[C@@H]2O ZINC000019218718 558851192 /nfs/dbraw/zinc/85/11/92/558851192.db2.gz AGPUIFQJHMAHQM-RTWAWAEBSA-N 1 0 401.551 2.260 50 0 HEAARO CC(C)CNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033034307 558858439 /nfs/dbraw/zinc/85/84/39/558858439.db2.gz BJNXSUPWAPWYEO-UHFFFAOYSA-N 1 0 416.547 2.283 50 0 HEAARO CC[NH+]1CCN(CC(=O)Nc2c3cc(Br)ccc3[nH]c2C(=O)OC)CC1 ZINC000019372287 558879519 /nfs/dbraw/zinc/87/95/19/558879519.db2.gz KALXVXBQKKPCIR-UHFFFAOYSA-N 1 0 423.311 2.293 50 0 HEAARO CC[NH+](CC)C[C@@H](C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004676269 558888652 /nfs/dbraw/zinc/88/86/52/558888652.db2.gz KHYLEDSOYVPWRY-SFHVURJKSA-N 1 0 409.596 2.490 50 0 HEAARO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 ZINC000057993881 558893256 /nfs/dbraw/zinc/89/32/56/558893256.db2.gz OSOLNDXXEHPFGO-MRXNPFEDSA-N 1 0 421.563 2.190 50 0 HEAARO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058158678 558904048 /nfs/dbraw/zinc/90/40/48/558904048.db2.gz LJTMJYSRAXZRKG-DLBZAZTESA-N 1 0 417.550 2.351 50 0 HEAARO Cn1cc(Cl)c(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071575610 558905406 /nfs/dbraw/zinc/90/54/06/558905406.db2.gz ALGQQKZJDSIIEY-HNNXBMFYSA-N 1 0 407.946 2.013 50 0 HEAARO NS(=O)(=O)c1ccc(CCNC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000058165266 558906712 /nfs/dbraw/zinc/90/67/12/558906712.db2.gz ATSZKBFPBKXMKQ-UHFFFAOYSA-N 1 0 423.538 2.372 50 0 HEAARO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000071754842 558909594 /nfs/dbraw/zinc/90/95/94/558909594.db2.gz YARXXBHKGLDHNY-MRXNPFEDSA-N 1 0 417.959 2.104 50 0 HEAARO Cc1cc(=O)oc2cc(NC(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)ccc12 ZINC000058394082 558924004 /nfs/dbraw/zinc/92/40/04/558924004.db2.gz OTJBENCGCFBFSF-KRWDZBQOSA-N 1 0 400.479 2.166 50 0 HEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(OC)cc3OC)CC2)CC1 ZINC000004725538 558930508 /nfs/dbraw/zinc/93/05/08/558930508.db2.gz UJKBSKNORGDVJP-UHFFFAOYSA-N 1 0 419.522 2.217 50 0 HEAARO Cc1cccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000065362495 558973235 /nfs/dbraw/zinc/97/32/35/558973235.db2.gz PACYZITXALKZIK-UHFFFAOYSA-N 1 0 416.547 2.152 50 0 HEAARO C[NH+]1CCC(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000065363989 558975126 /nfs/dbraw/zinc/97/51/26/558975126.db2.gz SGPUGLQLZKPICV-UHFFFAOYSA-N 1 0 401.532 2.477 50 0 HEAARO CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCC[NH+](C)CC2)[C@H](c2cccnc2)[N@@H+]1C ZINC000067909348 558994559 /nfs/dbraw/zinc/99/45/59/558994559.db2.gz BSCARYFITFGMEG-IPJJNNNSSA-N 1 0 402.539 2.108 50 0 HEAARO O=C(NCc1ccccc1)C1CC[NH+](CCS(=O)(=O)Oc2ccccc2)CC1 ZINC000022504398 558997654 /nfs/dbraw/zinc/99/76/54/558997654.db2.gz HPLAOGJFIRLBDW-UHFFFAOYSA-N 1 0 402.516 2.424 50 0 HEAARO Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)[nH]n1 ZINC000082091869 559037189 /nfs/dbraw/zinc/03/71/89/559037189.db2.gz GFZVEZMDAWLZMN-HXUWFJFHSA-N 1 0 410.566 2.448 50 0 HEAARO CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106949 559038333 /nfs/dbraw/zinc/03/83/33/559038333.db2.gz TYSPHVSLJCVNKE-HXUWFJFHSA-N 1 0 402.583 2.235 50 0 HEAARO CCOCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120376 559039398 /nfs/dbraw/zinc/03/93/98/559039398.db2.gz MIGSZEIGBHMEKG-FQEVSTJZSA-N 1 0 401.551 2.085 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3nc(CO)cs3)CC2)C1 ZINC000082121498 559039565 /nfs/dbraw/zinc/03/95/65/559039565.db2.gz QRQUENCOHWREAR-INIZCTEOSA-N 1 0 415.563 2.028 50 0 HEAARO Cc1n[nH]c(C)c1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082126000 559039810 /nfs/dbraw/zinc/03/98/10/559039810.db2.gz KXELLFINRAMSDB-HXUWFJFHSA-N 1 0 410.566 2.414 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000082170921 559042145 /nfs/dbraw/zinc/04/21/45/559042145.db2.gz ICXGPQBKMCFDLP-LJQANCHMSA-N 1 0 407.518 2.110 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)on1 ZINC000082167043 559042210 /nfs/dbraw/zinc/04/22/10/559042210.db2.gz XHORNNDNVJEPQE-KRWDZBQOSA-N 1 0 411.506 2.011 50 0 HEAARO CN(Cc1cnccn1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000092062095 559075289 /nfs/dbraw/zinc/07/52/89/559075289.db2.gz MKRAQPMZZCNZEI-HXUWFJFHSA-N 1 0 408.550 2.207 50 0 HEAARO CCCn1ncc(C(=O)N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)c1C ZINC000095509503 559083596 /nfs/dbraw/zinc/08/35/96/559083596.db2.gz KJSFWNOHTBHZNL-SFHVURJKSA-N 1 0 401.555 2.150 50 0 HEAARO COc1ccc(Br)cc1CN1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000095532325 559087251 /nfs/dbraw/zinc/08/72/51/559087251.db2.gz SUYABQVCTHBAHN-UHFFFAOYSA-N 1 0 412.372 2.032 50 0 HEAARO C[NH+](C)CCNC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2)on1 ZINC000096210192 559101372 /nfs/dbraw/zinc/10/13/72/559101372.db2.gz WPWJHCUUAWTNTN-SFHVURJKSA-N 1 0 414.506 2.031 50 0 HEAARO C[C@H]1CCC[N@H+](CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000004971481 559220533 /nfs/dbraw/zinc/22/05/33/559220533.db2.gz FUGTZBGMOGUTED-INIZCTEOSA-N 1 0 405.564 2.386 50 0 HEAARO COc1ccccc1NC(=O)CSc1nc(=O)n(CCC[NH+](C)C)c2c1CCC2 ZINC000005254293 560551956 /nfs/dbraw/zinc/55/19/56/560551956.db2.gz PLUDOCYGYJZTPC-UHFFFAOYSA-N 1 0 416.547 2.423 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000583648145 560778945 /nfs/dbraw/zinc/77/89/45/560778945.db2.gz FPAIKKOANXNREN-SFTDATJTSA-N 1 0 412.538 2.075 50 0 HEAARO COc1cccc([C@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)[NH+]2CCCC2)c1 ZINC000018180651 560781738 /nfs/dbraw/zinc/78/17/38/560781738.db2.gz XXTPRJUWHHTUAK-IBGZPJMESA-N 1 0 418.519 2.301 50 0 HEAARO CCOC(=O)C1CCN(c2c(=O)c(=O)c2NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000101496938 560796510 /nfs/dbraw/zinc/79/65/10/560796510.db2.gz YMWPBMTWBIJAFX-UHFFFAOYSA-N 1 0 405.539 2.129 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044571889 560896883 /nfs/dbraw/zinc/89/68/83/560896883.db2.gz HKFAHVRZNWEKQO-QGZVFWFLSA-N 1 0 413.971 2.341 50 0 HEAARO CC(C)[C@H](C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000048310432 568436707 /nfs/dbraw/zinc/43/67/07/568436707.db2.gz YJNCLHOMQXSYTK-OAQYLSRUSA-N 1 0 402.539 2.406 50 0 HEAARO O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(c2cc(-n3ccnc3)ncn2)C1 ZINC000390828919 568591776 /nfs/dbraw/zinc/59/17/76/568591776.db2.gz VIWSXBXCGMHAKD-UHFFFAOYSA-N 1 0 418.379 2.314 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3c(c4ccccc4n(C)c3=O)n2C)CC1 ZINC000020286287 568597065 /nfs/dbraw/zinc/59/70/65/568597065.db2.gz CJHAIGOYALWBAG-UHFFFAOYSA-N 1 0 423.561 2.178 50 0 aggregator HEAARO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000095455482 568617074 /nfs/dbraw/zinc/61/70/74/568617074.db2.gz ZEVONMYFNNFXIK-INIZCTEOSA-N 1 0 413.609 2.216 50 0 HEAARO CCc1nn(CCCC(=O)NCCC[NH+]2CCCC2)c(=O)c2cc3oc(C)cc3n21 ZINC000020862486 568646265 /nfs/dbraw/zinc/64/62/65/568646265.db2.gz WGRRJLCBFAWPIE-UHFFFAOYSA-N 1 0 413.522 2.495 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000020933690 568652190 /nfs/dbraw/zinc/65/21/90/568652190.db2.gz PDWXEFUGNLOIMF-UHFFFAOYSA-N 1 0 406.534 2.339 50 0 HEAARO Cc1noc2ncn(CC(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c(=O)c12 ZINC000020941840 568652837 /nfs/dbraw/zinc/65/28/37/568652837.db2.gz OKZCWTLUAZHJOO-UHFFFAOYSA-N 1 0 409.490 2.030 50 0 HEAARO Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000020944059 568653240 /nfs/dbraw/zinc/65/32/40/568653240.db2.gz GCPVHSMWEBLPMA-UHFFFAOYSA-N 1 0 409.534 2.273 50 0 HEAARO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971981 568671813 /nfs/dbraw/zinc/67/18/13/568671813.db2.gz PWYUWUSFKHKEAQ-ZDUSSCGKSA-N 1 0 421.441 2.200 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000096210261 568704442 /nfs/dbraw/zinc/70/44/42/568704442.db2.gz IRAFWPIYPWVYPS-FQEVSTJZSA-N 1 0 400.523 2.064 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)COCc2cc(-c3cccs3)on2)CC1 ZINC000021528182 568709933 /nfs/dbraw/zinc/70/99/33/568709933.db2.gz KLIOQVMJQHZAIW-UHFFFAOYSA-N 1 0 406.552 2.454 50 0 HEAARO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000229653590 568714939 /nfs/dbraw/zinc/71/49/39/568714939.db2.gz ZOCBTAFRCADCIU-HLLBOEOZSA-N 1 0 409.477 2.185 50 0 HEAARO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000229653579 568715001 /nfs/dbraw/zinc/71/50/01/568715001.db2.gz ZOCBTAFRCADCIU-BFYDXBDKSA-N 1 0 409.477 2.185 50 0 HEAARO Cn1cccc1-c1cc2n(n1)CCC(=O)N2CCCC(=O)NCCC[NH+]1CCCC1 ZINC000021644833 568727964 /nfs/dbraw/zinc/72/79/64/568727964.db2.gz ZKRWLRUVZFMLFH-UHFFFAOYSA-N 1 0 412.538 2.008 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CC[NH+](C)CC2)cc1 ZINC000022582866 568771062 /nfs/dbraw/zinc/77/10/62/568771062.db2.gz OUMUYJSRGFRBRU-FQEVSTJZSA-N 1 0 416.472 2.317 50 0 HEAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(-n3ccnc3)cc2)N1)OCCCO4 ZINC000012547322 568850810 /nfs/dbraw/zinc/85/08/10/568850810.db2.gz XGTVOCRTUNZODO-IBGZPJMESA-N 1 0 401.430 2.480 50 0 HEAARO CCOC(=O)C1=C(C[NH2+]CCCC(=O)OC)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000057531522 568852405 /nfs/dbraw/zinc/85/24/05/568852405.db2.gz SBYDOMVEVJSNMK-GOSISDBHSA-N 1 0 421.519 2.122 50 0 HEAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cc3ccccc3[nH]c2=O)N1)OCCCO4 ZINC000012552475 568854357 /nfs/dbraw/zinc/85/43/57/568854357.db2.gz MDSBCFYNHNUERI-SFHVURJKSA-N 1 0 402.414 2.135 50 0 HEAARO Cc1noc2nc(C)cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)c12 ZINC000670434416 568869856 /nfs/dbraw/zinc/86/98/56/568869856.db2.gz SOGZJLBUCXRLBT-LBVATQBMSA-N 1 0 417.513 2.137 50 0 HEAARO O=C(/C=C/c1ccccc1)NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299776936 568874751 /nfs/dbraw/zinc/87/47/51/568874751.db2.gz ILNKFBOLIOAECA-HYGBKTPJSA-N 1 0 411.546 2.165 50 0 HEAARO CCc1nc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ncc1C ZINC000299780949 568875005 /nfs/dbraw/zinc/87/50/05/568875005.db2.gz BRAVILWICXSQAF-IBGZPJMESA-N 1 0 401.555 2.109 50 0 HEAARO O=C(CCc1nnc2ccc(N3CCCC3)nn21)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000015678739 568966544 /nfs/dbraw/zinc/96/65/44/568966544.db2.gz GPJWJEZVLWUETN-QGZVFWFLSA-N 1 0 411.554 2.038 50 0 HEAARO COc1ccc([C@@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)[NH+]2CCCC2)cc1 ZINC000008231446 568984163 /nfs/dbraw/zinc/98/41/63/568984163.db2.gz RUELDHFXRJYVOV-JOCHJYFZSA-N 1 0 420.513 2.438 50 0 HEAARO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1S(=O)(=O)NC1CC1 ZINC000008326244 568991841 /nfs/dbraw/zinc/99/18/41/568991841.db2.gz GEQCIJCNLGHGKL-UHFFFAOYSA-N 1 0 409.552 2.130 50 0 HEAARO COc1cccc(OC)c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000104406434 569008474 /nfs/dbraw/zinc/00/84/74/569008474.db2.gz WPFATBLXOKXAKK-HXUWFJFHSA-N 1 0 405.583 2.445 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2)c(C)c1 ZINC000015864175 569016426 /nfs/dbraw/zinc/01/64/26/569016426.db2.gz PUYIZPJQDNIEFI-UHFFFAOYSA-N 1 0 415.559 2.235 50 0 HEAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCCC[NH+]3CCCC3)n2C)c1 ZINC000035561072 569044982 /nfs/dbraw/zinc/04/49/82/569044982.db2.gz JXUSJPOXUVUWEP-UHFFFAOYSA-N 1 0 420.579 2.425 50 0 HEAARO CCn1c(C(=O)NCCC[NH+](CC)CC)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561234 569045014 /nfs/dbraw/zinc/04/50/14/569045014.db2.gz MQLLFNGVUNSGKY-UHFFFAOYSA-N 1 0 408.568 2.373 50 0 HEAARO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242282 569055414 /nfs/dbraw/zinc/05/54/14/569055414.db2.gz UQCYHMBLCNISLO-UECWXEIQSA-N 1 0 417.465 2.435 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000244594174 569056080 /nfs/dbraw/zinc/05/60/80/569056080.db2.gz DHTQHYOARHEAEV-SJORKVTESA-N 1 0 413.609 2.387 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCC[C@@H](C(=O)NCc4ccccc4)C3)nn2)CC1 ZINC000033261538 569059452 /nfs/dbraw/zinc/05/94/52/569059452.db2.gz CKBCUENIPHEMIY-HXUWFJFHSA-N 1 0 408.550 2.151 50 0 HEAARO CCc1ccc(CN2CCc3c(C(=O)N4CCO[C@H](C[NH3+])C4)csc3C2)nc1 ZINC000426396048 569072648 /nfs/dbraw/zinc/07/26/48/569072648.db2.gz XUQBZIZVKIVZDU-QGZVFWFLSA-N 1 0 400.548 2.064 50 0 HEAARO COc1cc(OC)cc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)c1 ZINC000064799707 569097257 /nfs/dbraw/zinc/09/72/57/569097257.db2.gz ILOFLNBVAXGLBL-UHFFFAOYSA-N 1 0 411.506 2.365 50 0 HEAARO COc1cc2c(cc1OC)[C@H](C(=O)NCC[NH+](C)C)[C@@H]1c3ccccc3CCN1C2=O ZINC000006729665 569102800 /nfs/dbraw/zinc/10/28/00/569102800.db2.gz RFBAMLHQIXJZME-VXKWHMMOSA-N 1 0 423.513 2.218 50 0 HEAARO O=C(Cn1c(=O)c2cccn2c2cccnc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000006797302 569125237 /nfs/dbraw/zinc/12/52/37/569125237.db2.gz OSKWZLVHUCJYKJ-UHFFFAOYSA-N 1 0 415.497 2.214 50 0 HEAARO Nc1cc(N)[nH+]c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)n1 ZINC000006821889 569140935 /nfs/dbraw/zinc/14/09/35/569140935.db2.gz KRLBNTGFGXNKCS-CYBMUJFWSA-N 1 0 401.492 2.258 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O ZINC000036358599 569150194 /nfs/dbraw/zinc/15/01/94/569150194.db2.gz MEXWITQJBSEOIL-UHFFFAOYSA-N 1 0 404.470 2.298 50 0 HEAARO C[C@@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061867 569165964 /nfs/dbraw/zinc/16/59/64/569165964.db2.gz UCLBXBNZIDOEPP-MRXNPFEDSA-N 1 0 413.609 2.387 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1C ZINC000007007105 569199835 /nfs/dbraw/zinc/19/98/35/569199835.db2.gz DNRMAOGNMAUUCO-UHFFFAOYSA-N 1 0 423.510 2.141 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c[nH]1 ZINC000007007024 569199862 /nfs/dbraw/zinc/19/98/62/569199862.db2.gz YCXVHESHIOGGCC-UHFFFAOYSA-N 1 0 409.483 2.131 50 0 HEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)C1CCN(c2cnc3nccnc3c2)CC1 ZINC000065227429 569200324 /nfs/dbraw/zinc/20/03/24/569200324.db2.gz QRRADKKFPIZJEP-UHFFFAOYSA-N 1 0 416.529 2.416 50 0 HEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCC[NH+]1CCCC1)nc2N1CCSCC1 ZINC000065232077 569201327 /nfs/dbraw/zinc/20/13/27/569201327.db2.gz PPPIPZKVYLFRKA-UHFFFAOYSA-N 1 0 400.552 2.020 50 0 HEAARO CCCC[NH+]1CCN(C(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)CC1 ZINC000065239820 569203481 /nfs/dbraw/zinc/20/34/81/569203481.db2.gz SIHOYOWPVAWLTE-UHFFFAOYSA-N 1 0 411.554 2.457 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000524731933 569212468 /nfs/dbraw/zinc/21/24/68/569212468.db2.gz PRBPWFFJQODRHP-FXAWDEMLSA-N 1 0 412.534 2.287 50 0 HEAARO C[NH+](C)CCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O ZINC000524731841 569212472 /nfs/dbraw/zinc/21/24/72/569212472.db2.gz MFMIUKKQKUPNCA-OAHLLOKOSA-N 1 0 424.453 2.427 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312959 569222317 /nfs/dbraw/zinc/22/23/17/569222317.db2.gz CHLVIVZHYDATBL-INIZCTEOSA-N 1 0 404.946 2.399 50 0 HEAARO C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCc2nc3ccccc3[nH]2)cc1Cl ZINC000170617138 569248058 /nfs/dbraw/zinc/24/80/58/569248058.db2.gz XRNOQFUIMIXMJJ-UHFFFAOYSA-N 1 0 415.881 2.412 50 0 HEAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014521131 569260426 /nfs/dbraw/zinc/26/04/26/569260426.db2.gz HOYFLLUZCXTFIC-UHFFFAOYSA-N 1 0 418.501 2.457 50 0 HEAARO COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(C[NH+]2CCCCC2)cc1=O ZINC000016974402 569269632 /nfs/dbraw/zinc/26/96/32/569269632.db2.gz KKCLWGLHZHJZQO-UHFFFAOYSA-N 1 0 413.474 2.253 50 0 HEAARO CC(C)c1c(C(=O)NCCCN2CC[NH2+]CC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000236869608 569281857 /nfs/dbraw/zinc/28/18/57/569281857.db2.gz ISJWRWDHSJKKMX-UHFFFAOYSA-N 1 0 424.471 2.435 50 0 HEAARO O=C(NCc1cccnc1N1CCOCC1)c1cccnc1O[C@H]1CCSC1 ZINC000252479603 569288792 /nfs/dbraw/zinc/28/87/92/569288792.db2.gz BIKYLRAXGHWKCQ-INIZCTEOSA-N 1 0 400.504 2.128 50 0 HEAARO O=C(CN1C[C@@H]([NH+]2CCCC2)[C@@H](O)C1)N(CCc1ccccc1)Cc1cccs1 ZINC000252666794 569319111 /nfs/dbraw/zinc/31/91/11/569319111.db2.gz CHJKWUIGTDHSGX-YADHBBJMSA-N 1 0 413.587 2.460 50 0 HEAARO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979058 569372888 /nfs/dbraw/zinc/37/28/88/569372888.db2.gz DAEUMICVFIDSQQ-LJQANCHMSA-N 1 0 401.463 2.462 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040152874 571200577 /nfs/dbraw/zinc/20/05/77/571200577.db2.gz YADLCPGEDYBKGZ-GOSISDBHSA-N 1 0 417.535 2.247 50 0 HEAARO CC1(C)CC(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC(C)(C)[NH2+]1 ZINC000008991777 571207283 /nfs/dbraw/zinc/20/72/83/571207283.db2.gz HRBQZTIFLYMVSB-KRWDZBQOSA-N 1 0 400.523 2.313 50 0 HEAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000245108443 571214487 /nfs/dbraw/zinc/21/44/87/571214487.db2.gz SXLOPMFUMIYYIU-QFIPXVFZSA-N 1 0 413.562 2.363 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000009287345 571245201 /nfs/dbraw/zinc/24/52/01/571245201.db2.gz BRCCYWVLEAIKSM-HNNXBMFYSA-N 1 0 414.535 2.000 50 0 HEAARO CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2C[NH+](CC)CC)c1=O ZINC000010284932 571299275 /nfs/dbraw/zinc/29/92/75/571299275.db2.gz XPKCBRUWKVTVDJ-UHFFFAOYSA-N 1 0 422.529 2.341 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)N3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000581773937 1078747945 /nfs/dbraw/zinc/74/79/45/1078747945.db2.gz BOHOCUSHDQQZHU-UHFFFAOYSA-N 1 0 407.580 2.340 50 0 HEAARO C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581803150 1078779852 /nfs/dbraw/zinc/77/98/52/1078779852.db2.gz UCPSYGWOVZGGFR-OAQYLSRUSA-N 1 0 422.529 2.020 50 0 HEAARO O=C(c1cn(CC[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)nn1)N1CCOCC1 ZINC000581818871 1078788888 /nfs/dbraw/zinc/78/88/88/1078788888.db2.gz SWMZUOLXKNZRQA-IBGZPJMESA-N 1 0 401.486 2.334 50 0 HEAARO CC[NH+](CC)Cc1ccc2c(c1)CN(S(=O)(=O)c1c(C)nn(C)c1C)CCO2 ZINC000575316785 1076231120 /nfs/dbraw/zinc/23/11/20/1076231120.db2.gz GDACVWLSHHHKRE-UHFFFAOYSA-N 1 0 406.552 2.462 50 0 HEAARO Cc1noc(C)c1S(=O)(=O)N1CC(c2noc([C@H]3CCC[N@@H+]3CC3CC3)n2)C1 ZINC000575542864 1076334458 /nfs/dbraw/zinc/33/44/58/1076334458.db2.gz ZUYDRHSPCSFNJH-OAHLLOKOSA-N 1 0 407.496 2.009 50 0 HEAARO CN1CCc2c(sc3nc(N4CC[NH2+]CC4)n(-c4cccc(Cl)c4)c(=O)c32)C1 ZINC000002425709 132254440 /nfs/dbraw/zinc/25/44/40/132254440.db2.gz PVKDTQQYRULVES-UHFFFAOYSA-N 1 0 415.950 2.498 50 0 HEAARO COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000003670346 132268491 /nfs/dbraw/zinc/26/84/91/132268491.db2.gz XHSIYSVUNMGEND-HSZRJFAPSA-N 1 0 424.501 2.495 50 0 HEAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCc1ccc(Cl)cc1 ZINC000012069403 132353274 /nfs/dbraw/zinc/35/32/74/132353274.db2.gz ALDZRINQTOBJGN-UHFFFAOYSA-N 1 0 414.937 2.285 50 0 HEAARO O=C(Cc1ccc(N2CCC([NH2+]CC3CCOCC3)CC2)cc1)N1CCC(O)CC1 ZINC000012150645 132355210 /nfs/dbraw/zinc/35/52/10/132355210.db2.gz VMJMNHKRBRVEOB-UHFFFAOYSA-N 1 0 415.578 2.197 50 0 HEAARO O[C@@H]1CCC[N@@H+](C2CCN(c3nc4nonc4nc3NCc3cccs3)CC2)C1 ZINC000012457523 132360889 /nfs/dbraw/zinc/36/08/89/132360889.db2.gz RBFYJKKVLSSSEM-CQSZACIVSA-N 1 0 415.523 2.112 50 0 HEAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355741 523847131 /nfs/dbraw/zinc/84/71/31/523847131.db2.gz YJMCDUQLMSLONJ-ZDUSSCGKSA-N 1 0 402.476 2.338 50 0 HEAARO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1 ZINC000045944322 525327325 /nfs/dbraw/zinc/32/73/25/525327325.db2.gz IZJBRDMKMGIRKO-UHFFFAOYSA-N 1 0 415.559 2.050 50 0 HEAARO Cc1c(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nnn1-c1ccc(F)cc1 ZINC000069926074 525611287 /nfs/dbraw/zinc/61/12/87/525611287.db2.gz XGTXSIWGVUSOBD-UHFFFAOYSA-N 1 0 422.508 2.262 50 0 HEAARO COc1cc(C[NH2+]CCCSc2nnnn2C)cc(Br)c1OC ZINC000004993821 557622252 /nfs/dbraw/zinc/62/22/52/557622252.db2.gz UTVYNADZRNSXBX-UHFFFAOYSA-N 1 0 402.318 2.262 50 0 HEAARO Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000022796113 557822827 /nfs/dbraw/zinc/82/28/27/557822827.db2.gz UVBUEOVWJNBZIB-NRFANRHFSA-N 1 0 412.509 2.486 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1F ZINC000022796322 557823011 /nfs/dbraw/zinc/82/30/11/557823011.db2.gz CCAVINRKRHCHOC-FQEVSTJZSA-N 1 0 416.472 2.317 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(C)c1 ZINC000022796208 557823120 /nfs/dbraw/zinc/82/31/20/557823120.db2.gz YZJWKFQMLBWZFR-NRFANRHFSA-N 1 0 412.509 2.486 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022796523 557823263 /nfs/dbraw/zinc/82/32/63/557823263.db2.gz WJFUYYQJYNXDMZ-HSZRJFAPSA-N 1 0 422.573 2.149 50 0 HEAARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796469 557823381 /nfs/dbraw/zinc/82/33/81/557823381.db2.gz BXXKEHIICBWRSX-JOCHJYFZSA-N 1 0 408.546 2.025 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000009194410 557827320 /nfs/dbraw/zinc/82/73/20/557827320.db2.gz ICEZFPYSLUFGBI-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2)[C@@H]1CCOC1 ZINC000019740420 558261307 /nfs/dbraw/zinc/26/13/07/558261307.db2.gz DSDKNJQIJRGLTF-OAHLLOKOSA-N 1 0 423.439 2.008 50 0 HEAARO CSCC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011662148 558265927 /nfs/dbraw/zinc/26/59/27/558265927.db2.gz TXVXAIRPTBSRQY-UHFFFAOYSA-N 1 0 403.592 2.411 50 0 HEAARO COCc1ccc(CN2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)o1 ZINC000011774883 558274737 /nfs/dbraw/zinc/27/47/37/558274737.db2.gz AXOOKWQSJKXOML-FQEVSTJZSA-N 1 0 419.566 2.398 50 0 HEAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COC[C@H]2COc3ccccc3O2)CC1 ZINC000019771050 558279800 /nfs/dbraw/zinc/27/98/00/558279800.db2.gz OBSAWMCJIMPABH-MOPGFXCFSA-N 1 0 414.502 2.035 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019899527 558304815 /nfs/dbraw/zinc/30/48/15/558304815.db2.gz ZRXWWPWDHIPZAG-SFTDATJTSA-N 1 0 420.513 2.211 50 0 HEAARO CCOC(=O)C1C(CN2CC[NH+](CC)CC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000020069295 558330571 /nfs/dbraw/zinc/33/05/71/558330571.db2.gz RDHWUXZCBWELNX-FQEVSTJZSA-N 1 0 400.523 2.112 50 0 HEAARO O=C(Cc1cccs1)N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020202646 558346015 /nfs/dbraw/zinc/34/60/15/558346015.db2.gz AKXPEKLFTMVRQG-FGZHOGPDSA-N 1 0 413.587 2.113 50 0 HEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCOC1=O 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PUBKHCKZXPSZPY-UHFFFAOYSA-N 1 0 405.591 2.018 50 0 HEAARO O=C(NC[C@@H]1COCCO1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012460096 558419073 /nfs/dbraw/zinc/41/90/73/558419073.db2.gz HBOIIWFEWPQGQL-JOCHJYFZSA-N 1 0 411.502 2.270 50 0 HEAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OC[C@H](O)CN1CCOCC1 ZINC000012468862 558421269 /nfs/dbraw/zinc/42/12/69/558421269.db2.gz WQEPHWZSFMLQOK-HXUWFJFHSA-N 1 0 404.482 2.196 50 0 HEAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(OCCO)c2)CC1)[C@H]1CCOC1 ZINC000012713119 558453794 /nfs/dbraw/zinc/45/37/94/558453794.db2.gz LBNKBDGSAOGYHR-SFHVURJKSA-N 1 0 414.506 2.066 50 0 HEAARO COc1ccc(COC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000022023096 558458556 /nfs/dbraw/zinc/45/85/56/558458556.db2.gz ADXHYFVBGHUPNO-LJQANCHMSA-N 1 0 416.518 2.412 50 0 HEAARO COCCNC(=O)C1CC[NH+](CC(=O)NC2c3ccccc3-c3ccccc32)CC1 ZINC000012796913 558469464 /nfs/dbraw/zinc/46/94/64/558469464.db2.gz NGUUJQLFQLPGFE-UHFFFAOYSA-N 1 0 407.514 2.347 50 0 HEAARO O=C(/C=C/c1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000013593375 558546395 /nfs/dbraw/zinc/54/63/95/558546395.db2.gz NAIODEVZRCJLBB-VOTSOKGWSA-N 1 0 411.546 2.262 50 0 HEAARO COc1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000013592113 558546443 /nfs/dbraw/zinc/54/64/43/558546443.db2.gz HJLVOEMTJPHODK-HXHYMRLSSA-N 1 0 409.486 2.457 50 0 HEAARO CC(C)[NH+]1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023340001 558550636 /nfs/dbraw/zinc/55/06/36/558550636.db2.gz STUDFYQKNSEBCQ-GOSISDBHSA-N 1 0 413.541 2.373 50 0 HEAARO COc1ccc([C@H](CNC(=O)Cn2nc(-c3ccccc3)oc2=O)[NH+]2CCCC2)cc1 ZINC000014114837 558621508 /nfs/dbraw/zinc/62/15/08/558621508.db2.gz LGAMFLZELIKOLJ-FQEVSTJZSA-N 1 0 422.485 2.465 50 0 HEAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cnn(C)c1C)CC2 ZINC000014538677 558659021 /nfs/dbraw/zinc/65/90/21/558659021.db2.gz HZGFMGDHKFBJAN-UHFFFAOYSA-N 1 0 424.549 2.375 50 0 HEAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C[C@H]3CC=CCC3)CC2)C1=O ZINC000014541189 558659839 /nfs/dbraw/zinc/65/98/39/558659839.db2.gz KXUKYPUMLNWVDK-FQEVSTJZSA-N 1 0 424.545 2.170 50 0 HEAARO CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000014732003 558665591 /nfs/dbraw/zinc/66/55/91/558665591.db2.gz MKRFSYQHXNAESC-SFHVURJKSA-N 1 0 413.541 2.467 50 0 HEAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(O)cc1)CC2 ZINC000014742655 558667607 /nfs/dbraw/zinc/66/76/07/558667607.db2.gz DNUJHCJXUOWVNM-UHFFFAOYSA-N 1 0 424.501 2.233 50 0 HEAARO COc1cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc(OC)c1 ZINC000014998764 558696817 /nfs/dbraw/zinc/69/68/17/558696817.db2.gz KMDZNLWUHQACAB-OAHLLOKOSA-N 1 0 401.511 2.187 50 0 HEAARO Cn1ccnc1[C@@](O)(CC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(F)(F)F ZINC000072278420 558704493 /nfs/dbraw/zinc/70/44/93/558704493.db2.gz CKJJVHOCZAXWND-KRWDZBQOSA-N 1 0 420.501 2.038 50 0 HEAARO COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029090347 558709665 /nfs/dbraw/zinc/70/96/65/558709665.db2.gz LNGAQRWEMDWYPM-SFHVURJKSA-N 1 0 405.564 2.290 50 0 HEAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)cc1 ZINC000015074121 558714793 /nfs/dbraw/zinc/71/47/93/558714793.db2.gz BEQODJHEOAPXKB-HXUWFJFHSA-N 1 0 416.547 2.368 50 0 HEAARO COc1ccc(N2C[C@@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2=O)cc1OC ZINC000030617464 558734401 /nfs/dbraw/zinc/73/44/01/558734401.db2.gz MFTLEWVHDUXCJO-AWEZNQCLSA-N 1 0 403.523 2.482 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671293 558748439 /nfs/dbraw/zinc/74/84/39/558748439.db2.gz BGQRIPQMILEXCJ-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO Cc1cc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)nc(C(C)C)n1 ZINC000016103467 558771965 /nfs/dbraw/zinc/77/19/65/558771965.db2.gz NZLBAVWZYMFTJD-UHFFFAOYSA-N 1 0 420.517 2.047 50 0 HEAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016699019 558801310 /nfs/dbraw/zinc/80/13/10/558801310.db2.gz AUAHBVQNGCBQOO-QFBILLFUSA-N 1 0 407.474 2.216 50 0 HEAARO Cn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000039445849 558821241 /nfs/dbraw/zinc/82/12/41/558821241.db2.gz YVMRNPXYEFQNSP-OAQYLSRUSA-N 1 0 409.578 2.455 50 0 HEAARO COc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)ccn1 ZINC000071416369 558897609 /nfs/dbraw/zinc/89/76/09/558897609.db2.gz QYERQANQILYBCE-SFHVURJKSA-N 1 0 400.523 2.029 50 0 HEAARO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000058164049 558906522 /nfs/dbraw/zinc/90/65/22/558906522.db2.gz MSNRFSDXZLMVAF-CYBMUJFWSA-N 1 0 419.503 2.248 50 0 HEAARO C[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000065362553 558973429 /nfs/dbraw/zinc/97/34/29/558973429.db2.gz ZPMPSDCBSUESGW-NSHDSACASA-N 1 0 408.351 2.358 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[C@H](C)[NH+]3CCCC3)C2)cc1 ZINC000072446939 558982622 /nfs/dbraw/zinc/98/26/22/558982622.db2.gz UXCTVYTWFLYPFN-ZWKOTPCHSA-N 1 0 423.579 2.087 50 0 HEAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)c3n[nH]c4c3CCC4)CC2)OC1=O ZINC000072474425 558983653 /nfs/dbraw/zinc/98/36/53/558983653.db2.gz VBAKOSGIOFMHGX-UHFFFAOYSA-N 1 0 417.554 2.303 50 0 HEAARO CN1C[C@@H]([NH3+])C[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067817921 558993285 /nfs/dbraw/zinc/99/32/85/558993285.db2.gz KIHNQWZMFBVQRZ-ROUUACIJSA-N 1 0 401.894 2.465 50 0 HEAARO O=C([C@H]1C[NH2+]CCO1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067851578 558993990 /nfs/dbraw/zinc/99/39/90/558993990.db2.gz MUTZXQSQRXOHDM-QGZVFWFLSA-N 1 0 411.483 2.378 50 0 HEAARO O=C([C@@H]1[C@H]2C(=O)N(C3CCCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC([NH+]2CCCCC2)C1 ZINC000077485710 559006925 /nfs/dbraw/zinc/00/69/25/559006925.db2.gz PXXAQRGBGZHTIL-CIEVZJJWSA-N 1 0 413.562 2.188 50 0 HEAARO O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127523 559015860 /nfs/dbraw/zinc/01/58/60/559015860.db2.gz BYOSEGBGNHRNGS-UHFFFAOYSA-N 1 0 415.515 2.121 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccc(CO)o3)CC2)C1 ZINC000082107132 559038267 /nfs/dbraw/zinc/03/82/67/559038267.db2.gz UOEUYIAUMVZHMQ-GOSISDBHSA-N 1 0 412.534 2.160 50 0 HEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082126283 559039808 /nfs/dbraw/zinc/03/98/08/559039808.db2.gz RUMBRFCLAJMJIT-SFHVURJKSA-N 1 0 408.550 2.431 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000082156479 559041430 /nfs/dbraw/zinc/04/14/30/559041430.db2.gz WASBMRONKZZZDR-LJQANCHMSA-N 1 0 407.518 2.110 50 0 HEAARO COc1cc(C(=O)N[C@H]2CCNC2=O)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000095503036 559082644 /nfs/dbraw/zinc/08/26/44/559082644.db2.gz OMPZSLRFYGVYMU-SFHVURJKSA-N 1 0 401.507 2.099 50 0 HEAARO CC[NH+]1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 ZINC000011527089 559087746 /nfs/dbraw/zinc/08/77/46/559087746.db2.gz XJDQHCMEDRPQPS-KRWDZBQOSA-N 1 0 401.960 2.243 50 0 HEAARO CCN1C(=O)N(CC(=O)N(C)CC[NH+](C)C)C(c2ccccc2)(c2ccccc2)C1=O ZINC000095918148 559089028 /nfs/dbraw/zinc/08/90/28/559089028.db2.gz IQTHGFSNUQXJGD-UHFFFAOYSA-N 1 0 422.529 2.234 50 0 HEAARO CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000100150321 559130816 /nfs/dbraw/zinc/13/08/16/559130816.db2.gz GOAAUPBHWVHEHC-FQEVSTJZSA-N 1 0 413.518 2.446 50 0 HEAARO C[C@@H](CN1CC2(CC[NH+](Cc3cc(=O)n4nc[n-]c4n3)CC2)OC1=O)c1ccccc1 ZINC000102012916 559148941 /nfs/dbraw/zinc/14/89/41/559148941.db2.gz BBWFXXWAGNHQGF-INIZCTEOSA-N 1 0 422.489 2.008 50 0 HEAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccccc3NC2=O)c1 ZINC000100203897 559177191 /nfs/dbraw/zinc/17/71/91/559177191.db2.gz GMNXXRIOIFEQEK-QPXQOZNCSA-N 1 0 403.438 2.126 50 0 HEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)C1 ZINC000004916308 559204158 /nfs/dbraw/zinc/20/41/58/559204158.db2.gz MHHDPQWYYKIBKI-CALCHBBNSA-N 1 0 409.534 2.372 50 0 HEAARO COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C[NH+]4CCCC4)C3)C2=O)c1 ZINC000426487586 559271896 /nfs/dbraw/zinc/27/18/96/559271896.db2.gz TWEHNNLIMHPPHK-JOCHJYFZSA-N 1 0 403.498 2.271 50 0 HEAARO COc1ccc(CNc2nn3c(nc(C[NH+]4CCC(C)CC4)cc3=O)[nH]2)cc1OC ZINC000101796705 560801762 /nfs/dbraw/zinc/80/17/62/560801762.db2.gz TVSGBQSGETXCAR-UHFFFAOYSA-N 1 0 412.494 2.279 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1C ZINC000024443775 560819778 /nfs/dbraw/zinc/81/97/78/560819778.db2.gz UEZQMWBHJFZQGY-NRFANRHFSA-N 1 0 415.559 2.487 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1C ZINC000024443773 560819824 /nfs/dbraw/zinc/81/98/24/560819824.db2.gz UEZQMWBHJFZQGY-OAQYLSRUSA-N 1 0 415.559 2.487 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104168114 560849036 /nfs/dbraw/zinc/84/90/36/560849036.db2.gz NVVBORDBMCXQLB-DUBGADTFSA-N 1 0 405.495 2.098 50 0 HEAARO O=C(c1ccccc1)N1C[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)N2CC[C@H]1C2 ZINC000108455609 568418797 /nfs/dbraw/zinc/41/87/97/568418797.db2.gz BNADJYWFYWLBMP-LEWJYISDSA-N 1 0 402.502 2.160 50 0 HEAARO C[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C[NH+]1CCCCC1 ZINC000048234221 568432574 /nfs/dbraw/zinc/43/25/74/568432574.db2.gz UPPRHOXNOAHYAD-AWEZNQCLSA-N 1 0 401.960 2.442 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000048325948 568438873 /nfs/dbraw/zinc/43/88/73/568438873.db2.gz QOODKMAVZLNLSA-QUCCMNQESA-N 1 0 407.580 2.468 50 0 HEAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000048332004 568439889 /nfs/dbraw/zinc/43/98/89/568439889.db2.gz ZOCBTAFRCADCIU-UXLLHSPISA-N 1 0 409.477 2.185 50 0 HEAARO COc1cccc(NC(=O)Cn2cnc3c(c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000049400702 568447709 /nfs/dbraw/zinc/44/77/09/568447709.db2.gz VVUAGORCDLLXIN-UHFFFAOYSA-N 1 0 404.470 2.449 50 0 HEAARO CC(=O)c1cccc(OC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022030814 568473138 /nfs/dbraw/zinc/47/31/38/568473138.db2.gz OVVISLBXMALKAZ-FQEVSTJZSA-N 1 0 412.486 2.175 50 0 HEAARO CCc1ccc([C@H](CNC(=O)Cn2c3ccccc3c(=O)n(CC)c2=O)[NH+](C)C)cc1 ZINC000022684325 568497424 /nfs/dbraw/zinc/49/74/24/568497424.db2.gz IFHGYIKAIIQNAO-NRFANRHFSA-N 1 0 422.529 2.165 50 0 HEAARO O=C(N[C@@H](c1ncon1)c1ccc(F)c(F)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000222053749 568513895 /nfs/dbraw/zinc/51/38/95/568513895.db2.gz HKJAPJKNXVFFGQ-RBUKOAKNSA-N 1 0 414.412 2.454 50 0 HEAARO CN1CCO[C@@H]([C@@H](NC(=O)CNC(=O)Cc2ccccc2)c2ccc(Cl)cc2)C1 ZINC000222051005 568513911 /nfs/dbraw/zinc/51/39/11/568513911.db2.gz YDYXDBOLJJIPGP-KNQAVFIVSA-N 1 0 415.921 2.187 50 0 HEAARO CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000020116236 568589401 /nfs/dbraw/zinc/58/94/01/568589401.db2.gz REERNORVGPIFBR-KWJLTHHISA-N 1 0 408.631 2.487 50 0 HEAARO O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020379682 568602545 /nfs/dbraw/zinc/60/25/45/568602545.db2.gz KQWCMWVHCFJFCN-NRFANRHFSA-N 1 0 414.550 2.233 50 0 aggregator HEAARO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000095408113 568606357 /nfs/dbraw/zinc/60/63/57/568606357.db2.gz XSXSYQQFNPLHGW-INIZCTEOSA-N 1 0 402.539 2.444 50 0 HEAARO Cc1cc(=O)nc2c3ccccc3n(CC(=O)N3CC[NH+](C4CCCCC4)CC3)n21 ZINC000020464793 568610110 /nfs/dbraw/zinc/61/01/10/568610110.db2.gz NVPZMQHWSRIIAT-UHFFFAOYSA-N 1 0 407.518 2.435 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000020761275 568642368 /nfs/dbraw/zinc/64/23/68/568642368.db2.gz ZVVINHNERSCXLG-SXLOBPIMSA-N 1 0 407.580 2.370 50 0 biogenic HEAARO CC[NH+]1CCN(CCNC(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)CC1 ZINC000020980691 568654522 /nfs/dbraw/zinc/65/45/22/568654522.db2.gz NYGKCDGJEJNGLY-UHFFFAOYSA-N 1 0 410.497 2.169 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)CN1CC(OC(=O)Nc2cccc(F)c2)C1)c1ccccc1 ZINC000225618028 568657607 /nfs/dbraw/zinc/65/76/07/568657607.db2.gz RLFDMXTYJQLGEW-FQEVSTJZSA-N 1 0 414.481 2.478 50 0 HEAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000021534404 568711543 /nfs/dbraw/zinc/71/15/43/568711543.db2.gz HNEWKEHRELLLQS-UHFFFAOYSA-N 1 0 415.559 2.316 50 0 HEAARO Cn1cnc2c(C(=O)N3CCC([NH+]4CCCCC4)CC3)nn(-c3ccccc3)c2c1=O ZINC000021663138 568736479 /nfs/dbraw/zinc/73/64/79/568736479.db2.gz HASXGQMHZBPVPL-UHFFFAOYSA-N 1 0 420.517 2.210 50 0 HEAARO CCCC[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398479 568747317 /nfs/dbraw/zinc/74/73/17/568747317.db2.gz IHGFSISDGXSUKK-QGZVFWFLSA-N 1 0 419.591 2.270 50 0 HEAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000230052559 568805088 /nfs/dbraw/zinc/80/50/88/568805088.db2.gz BOESPHYEONFFIN-YWNPBTLJSA-N 1 0 421.428 2.266 50 0 HEAARO Nc1cc(N)[nH+]c(SCC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)n1 ZINC000012526959 568843495 /nfs/dbraw/zinc/84/34/95/568843495.db2.gz BHAKBBZCIDHPGL-UHFFFAOYSA-N 1 0 401.492 2.090 50 0 HEAARO CN(C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1 ZINC000003328018 568854746 /nfs/dbraw/zinc/85/47/46/568854746.db2.gz GHVFHEQECPVTGG-NRFANRHFSA-N 1 0 405.498 2.447 50 0 HEAARO CCn1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299756005 568872668 /nfs/dbraw/zinc/87/26/68/568872668.db2.gz HEJNWAPCRTZYAM-NRFANRHFSA-N 1 0 416.497 2.313 50 0 HEAARO C[C@@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299769498 568874114 /nfs/dbraw/zinc/87/41/14/568874114.db2.gz RXLFVMSNABCDAN-OPAMFIHVSA-N 1 0 403.498 2.175 50 0 HEAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc2cc[nH]c2c1 ZINC000299773340 568874284 /nfs/dbraw/zinc/87/42/84/568874284.db2.gz FBXDUEJUZOSCRV-OAQYLSRUSA-N 1 0 424.545 2.247 50 0 HEAARO Nc1ncccc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299778279 568874758 /nfs/dbraw/zinc/87/47/58/568874758.db2.gz PZLLJQRCQBHBGW-FQEVSTJZSA-N 1 0 414.481 2.074 50 0 HEAARO Cc1ccnn1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791262 568875884 /nfs/dbraw/zinc/87/58/84/568875884.db2.gz CVOWSINCMNDJOW-OAQYLSRUSA-N 1 0 416.497 2.101 50 0 HEAARO COCc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1nccc(-c2ccco2)n1 ZINC000299790820 568875886 /nfs/dbraw/zinc/87/58/86/568875886.db2.gz BNWQWTCPEAKLRC-UHFFFAOYSA-N 1 0 412.494 2.386 50 0 HEAARO COc1ccc([C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000003452187 568905924 /nfs/dbraw/zinc/90/59/24/568905924.db2.gz XKNWJTSCQXTCGD-HXUWFJFHSA-N 1 0 419.547 2.043 50 0 HEAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877868 568922230 /nfs/dbraw/zinc/92/22/30/568922230.db2.gz OLMQEBSYORSISS-QGZVFWFLSA-N 1 0 423.355 2.016 50 0 HEAARO COc1ccc([C@@H]2[C@H](C(=O)NCC[NH+](C)C)c3ccccc3C(=O)N2C)cc1OC ZINC000003661111 568923555 /nfs/dbraw/zinc/92/35/55/568923555.db2.gz NYHXRKIRWTWIRQ-NHCUHLMSSA-N 1 0 411.502 2.292 50 0 HEAARO Cc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C(C)C)cc1 ZINC000004083587 568939357 /nfs/dbraw/zinc/93/93/57/568939357.db2.gz PLJYZZAPAWMAKQ-PMACEKPBSA-N 1 0 414.550 2.065 50 0 biogenic HEAARO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000012750955 568940495 /nfs/dbraw/zinc/94/04/95/568940495.db2.gz QKEPQRFZCVHLOH-LJQANCHMSA-N 1 0 408.546 2.257 50 0 HEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000670462176 568952296 /nfs/dbraw/zinc/95/22/96/568952296.db2.gz JRLJDEGOERTLHS-LJQANCHMSA-N 1 0 407.942 2.155 50 0 HEAARO NC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccc(F)c3)CC2)cs1 ZINC000015731443 568981829 /nfs/dbraw/zinc/98/18/29/568981829.db2.gz OIJCEHLPVWWINZ-UHFFFAOYSA-N 1 0 411.524 2.177 50 0 HEAARO Cc1ccc(C[NH+]2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)cc1 ZINC000015731434 568981906 /nfs/dbraw/zinc/98/19/06/568981906.db2.gz XJTWUULHJAYUPG-UHFFFAOYSA-N 1 0 407.561 2.346 50 0 HEAARO COc1ccccc1[C@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+]1CCCC1 ZINC000008272229 568986397 /nfs/dbraw/zinc/98/63/97/568986397.db2.gz HLMXMAJSIWXDOP-FQEVSTJZSA-N 1 0 406.486 2.358 50 0 HEAARO COc1ccccc1NC(=O)COc1ccc(C(=O)NCCC[NH+](C)C)cc1OC ZINC000008325159 568991465 /nfs/dbraw/zinc/99/14/65/568991465.db2.gz IHMZOWKNIZZBTM-UHFFFAOYSA-N 1 0 415.490 2.403 50 0 HEAARO CC[NH+](CC)CCNC(=O)CCc1nnc2ccc(NCc3ccc(F)cc3)nn21 ZINC000015776413 568999945 /nfs/dbraw/zinc/99/99/45/568999945.db2.gz WEJYHWJIQQTWQR-UHFFFAOYSA-N 1 0 413.501 2.266 50 0 HEAARO COc1cccc(CN2CCN(Cc3ccc(OCCO)cc3)C[C@H]2CCO)c1 ZINC000104378559 569008426 /nfs/dbraw/zinc/00/84/26/569008426.db2.gz REPCJTCGSHUAQO-OAQYLSRUSA-N 1 0 400.519 2.135 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000012860233 569011543 /nfs/dbraw/zinc/01/15/43/569011543.db2.gz IGGQSDBWDUBYFZ-UHFFFAOYSA-N 1 0 423.579 2.088 50 0 HEAARO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCN(CC(F)(F)F)CC2)cn1 ZINC000089466115 569060700 /nfs/dbraw/zinc/06/07/00/569060700.db2.gz NEGIIHLNYBTZBL-MRXNPFEDSA-N 1 0 400.445 2.198 50 0 HEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000054224649 569061330 /nfs/dbraw/zinc/06/13/30/569061330.db2.gz MRCZQNGIAVWYJZ-WMZOPIPTSA-N 1 0 406.486 2.032 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](C)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1 ZINC000035991046 569074503 /nfs/dbraw/zinc/07/45/03/569074503.db2.gz DTFKTIFFYGGZJN-GOSISDBHSA-N 1 0 406.914 2.101 50 0 HEAARO Cn1ncc2c3ccccc3n(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c2c1=O ZINC000064775814 569093759 /nfs/dbraw/zinc/09/37/59/569093759.db2.gz AADDPQYKRPSWSX-UHFFFAOYSA-N 1 0 407.518 2.365 50 0 HEAARO C[N@H+](CCNC(=O)c1cc(=O)nc2sc(N3CCCCC3)nn21)C1CCCCC1 ZINC000064836281 569104707 /nfs/dbraw/zinc/10/47/07/569104707.db2.gz RCEILCDCDLZPBL-UHFFFAOYSA-N 1 0 418.567 2.136 50 0 HEAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)C[C@@H](C)CC3 ZINC000006759646 569113200 /nfs/dbraw/zinc/11/32/00/569113200.db2.gz SCIVYYZPGYTHOB-AWEZNQCLSA-N 1 0 419.547 2.008 50 0 HEAARO Cc1noc2nc(CCC(=O)NCC[NH+]3CCCC3)nc(N3CCCCCC3)c12 ZINC000065056606 569162830 /nfs/dbraw/zinc/16/28/30/569162830.db2.gz VFAXKUPDALCXIF-UHFFFAOYSA-N 1 0 400.527 2.451 50 0 HEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227166 569200178 /nfs/dbraw/zinc/20/01/78/569200178.db2.gz KLYWHQUDUNQGJL-HXUWFJFHSA-N 1 0 416.529 2.416 50 0 HEAARO CCOC(=O)N1CCN(C(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)CC1 ZINC000065255905 569208040 /nfs/dbraw/zinc/20/80/40/569208040.db2.gz CTMBTTMFXMOMSI-FQEVSTJZSA-N 1 0 423.517 2.147 50 0 HEAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cn(C)c(C)cc1=O ZINC000524731705 569212475 /nfs/dbraw/zinc/21/24/75/569212475.db2.gz HXAMDTKNKZELQD-VQTJNVASSA-N 1 0 419.566 2.202 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12 ZINC000065270964 569213539 /nfs/dbraw/zinc/21/35/39/569213539.db2.gz JJICDRWTIYMIMA-UHFFFAOYSA-N 1 0 407.449 2.128 50 0 HEAARO O=C(CCn1cc(Br)ccc1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065518486 569233485 /nfs/dbraw/zinc/23/34/85/569233485.db2.gz NGTZEFHUPBARTQ-KRWDZBQOSA-N 1 0 404.308 2.392 50 0 HEAARO CC1(C)CC(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccccc5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1 ZINC000013626601 569256694 /nfs/dbraw/zinc/25/66/94/569256694.db2.gz RYLNOWROVHKMPB-NRAIQUKZSA-N 1 0 409.530 2.398 50 0 HEAARO CN(C)S(=O)(=O)c1ccc(NC(=O)CC[N@H+](C)CCOc2ccccc2F)cc1 ZINC000014079377 569258484 /nfs/dbraw/zinc/25/84/84/569258484.db2.gz OUWLQDAYNDSRPY-UHFFFAOYSA-N 1 0 423.510 2.415 50 0 HEAARO CCc1cc2c(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1O ZINC000014334040 569259553 /nfs/dbraw/zinc/25/95/53/569259553.db2.gz WEXRJMHALJHUPC-INIZCTEOSA-N 1 0 400.475 2.132 50 0 HEAARO Cc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007586140 569283358 /nfs/dbraw/zinc/28/33/58/569283358.db2.gz YFOMMJBEKCHYEV-GOSISDBHSA-N 1 0 408.531 2.454 50 0 HEAARO Cc1ccccc1-n1nnnc1SCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000007587695 569283468 /nfs/dbraw/zinc/28/34/68/569283468.db2.gz ZCFFJTQYCYTNMU-SFHVURJKSA-N 1 0 408.531 2.454 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1 ZINC000252452599 569286429 /nfs/dbraw/zinc/28/64/29/569286429.db2.gz QOODKMAVZLNLSA-UYAOXDASSA-N 1 0 407.580 2.468 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000170676601 569297927 /nfs/dbraw/zinc/29/79/27/569297927.db2.gz UMSWQBBIUCAKMD-CJNGLKHVSA-N 1 0 421.485 2.206 50 0 HEAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 ZINC000581820113 569320943 /nfs/dbraw/zinc/32/09/43/569320943.db2.gz RNOWYRPDHCBDGD-JOCHJYFZSA-N 1 0 414.594 2.438 50 0 HEAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000079025732 569424779 /nfs/dbraw/zinc/42/47/79/569424779.db2.gz OZIIFTIQZAMOMG-HKUYNNGSSA-N 1 0 418.607 2.158 50 0 HEAARO CCOc1cc([C@H]2NC(=O)N=C(C[NH+]3CCCCCC3)C2C(=O)OC)ccc1O ZINC000067285648 571063959 /nfs/dbraw/zinc/06/39/59/571063959.db2.gz LWWDKJOMCORCBH-LJQANCHMSA-N 1 0 403.479 2.448 50 0 HEAARO Nc1nc(N2CCC([NH+]3CCCCC3)CC2)ncc1S(=O)(=O)c1ccccc1 ZINC000067336199 571080101 /nfs/dbraw/zinc/08/01/01/571080101.db2.gz BBMQOLOLULJHIY-UHFFFAOYSA-N 1 0 401.536 2.346 50 0 HEAARO O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000008864241 571128987 /nfs/dbraw/zinc/12/89/87/571128987.db2.gz YFWCOXOACUKARO-MRXNPFEDSA-N 1 0 401.488 2.046 50 0 HEAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1 ZINC000040071233 571151971 /nfs/dbraw/zinc/15/19/71/571151971.db2.gz ICJVJTRXSQSZMO-HXUWFJFHSA-N 1 0 412.538 2.400 50 0 HEAARO COc1ccc(C(=O)N2CCC([N@@H+]3C[C@H](OCC4CC4)C34CCOCC4)CC2)cn1 ZINC000581803341 1078780073 /nfs/dbraw/zinc/78/00/73/1078780073.db2.gz UXNPXTRHVIYYIU-FQEVSTJZSA-N 1 0 415.534 2.355 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)CC2=C3CCCC[C@@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581792373 1078775054 /nfs/dbraw/zinc/77/50/54/1078775054.db2.gz FKQVDDULUUKEIQ-QHCPKHFHSA-N 1 0 424.589 2.412 50 0 HEAARO Cc1noc(C)c1S(=O)(=O)N1CC([N@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC000581794372 1078776522 /nfs/dbraw/zinc/77/65/22/1078776522.db2.gz CFJOVLOCJPGITI-UHFFFAOYSA-N 1 0 405.520 2.346 50 0 HEAARO O=C1[C@H]2CCCN2C(=O)N1CCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000000633296 132229509 /nfs/dbraw/zinc/22/95/09/132229509.db2.gz FLFUCNSCWFDBOS-QGZVFWFLSA-N 1 0 421.339 2.388 50 0 HEAARO NS(=O)(=O)c1ccc(N2CC[NH+](CC[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000003812548 132268877 /nfs/dbraw/zinc/26/88/77/132268877.db2.gz WNUQCGWXPNGORO-NRFANRHFSA-N 1 0 401.532 2.160 50 0 in-man HEAARO Cc1c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cnn1C ZINC000011763858 132350323 /nfs/dbraw/zinc/35/03/23/132350323.db2.gz HKNBIWNZJXPZCS-HXUWFJFHSA-N 1 0 410.566 2.465 50 0 HEAARO Cc1noc2ncnc(N3CCC(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)CC3)c12 ZINC000020944889 132471730 /nfs/dbraw/zinc/47/17/30/132471730.db2.gz GDSZDIUKUJEHCF-OAHLLOKOSA-N 1 0 400.527 2.381 50 0 HEAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020565849 518706129 /nfs/dbraw/zinc/70/61/29/518706129.db2.gz FSDWEORXXPPLQB-FLFXDLLNSA-N 1 0 419.481 2.154 50 0 HEAARO CC(C)Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC(C)C)cc1 ZINC000045944934 519440237 /nfs/dbraw/zinc/44/02/37/519440237.db2.gz RQNFEXMFVBCSKG-UHFFFAOYSA-N 1 0 409.596 2.354 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566498 520562555 /nfs/dbraw/zinc/56/25/55/520562555.db2.gz ILADSGPWFWVNAD-MTXNFPGFSA-N 1 0 419.481 2.155 50 0 HEAARO CCOC(=O)C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000020532082 520887610 /nfs/dbraw/zinc/88/76/10/520887610.db2.gz VKPOLAYMRWORLN-FQEVSTJZSA-N 1 0 403.523 2.435 50 0 HEAARO COc1cc(OC)cc(C(=O)Nc2nc(C(=O)NCC[NH+]3CCCC3)cs2)c1 ZINC000040356074 522859976 /nfs/dbraw/zinc/85/99/76/522859976.db2.gz NNPGFYFVBIMMRF-UHFFFAOYSA-N 1 0 404.492 2.238 50 0 HEAARO CCn1c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2[nH]c(=O)c1=O ZINC000032761472 523261494 /nfs/dbraw/zinc/26/14/94/523261494.db2.gz GYKSKLTZCWNQGI-KRWDZBQOSA-N 1 0 412.515 2.338 50 0 HEAARO COc1ccc(-n2ccnc2SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000024097253 523337904 /nfs/dbraw/zinc/33/79/04/523337904.db2.gz QHTWSCAZMPHRQK-LJQANCHMSA-N 1 0 418.563 2.446 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccsc2)CC1 ZINC000022766371 523920670 /nfs/dbraw/zinc/92/06/70/523920670.db2.gz MBUKTGCRSUEHSS-GOSISDBHSA-N 1 0 420.966 2.123 50 0 HEAARO CCc1ccc([C@@H](CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)[NH+](C)C)cc1 ZINC000032734776 524029684 /nfs/dbraw/zinc/02/96/84/524029684.db2.gz UZPRZPDRFUWRTP-LJQANCHMSA-N 1 0 421.501 2.015 50 0 HEAARO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2)C[C@@H](C)O1 ZINC000032830656 524995355 /nfs/dbraw/zinc/99/53/55/524995355.db2.gz RVNYSBFMEVJLKN-HUUCEWRRSA-N 1 0 412.515 2.295 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1F ZINC000022766296 525004506 /nfs/dbraw/zinc/00/45/06/525004506.db2.gz YWPYRKSHAQZCAO-SFHVURJKSA-N 1 0 404.511 2.239 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[C@@H](C)[NH+]3CCCC3)C2)cc1 ZINC000072446942 525030861 /nfs/dbraw/zinc/03/08/61/525030861.db2.gz UXCTVYTWFLYPFN-MSOLQXFVSA-N 1 0 423.579 2.087 50 0 HEAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000032900881 525436519 /nfs/dbraw/zinc/43/65/19/525436519.db2.gz FBZZWNOSHPCWKG-HXUWFJFHSA-N 1 0 418.559 2.486 50 0 HEAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000032930745 526251961 /nfs/dbraw/zinc/25/19/61/526251961.db2.gz NQDGBMTXHMKOQQ-KRWDZBQOSA-N 1 0 405.502 2.482 50 0 HEAARO O=C(NCC[NH+]1CCCC1)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000034811451 557464206 /nfs/dbraw/zinc/46/42/06/557464206.db2.gz CHPMGGVJGMSEKC-UHFFFAOYSA-N 1 0 401.898 2.018 50 0 HEAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)COC ZINC000034831265 557466648 /nfs/dbraw/zinc/46/66/48/557466648.db2.gz RAEISPIACWKIDM-UHFFFAOYSA-N 1 0 417.529 2.457 50 0 HEAARO CCC(=O)N(CCOC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1 ZINC000034831273 557466720 /nfs/dbraw/zinc/46/67/20/557466720.db2.gz UECMNCOCHMQYQV-UHFFFAOYSA-N 1 0 417.529 2.457 50 0 HEAARO O=C(c1cccs1)N1CCC([NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000004727880 557587701 /nfs/dbraw/zinc/58/77/01/557587701.db2.gz PKDPXURIJYJLDS-INIZCTEOSA-N 1 0 401.463 2.414 50 0 HEAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000004744851 557591707 /nfs/dbraw/zinc/59/17/07/557591707.db2.gz UEMHXSNZQCJLMS-HNNXBMFYSA-N 1 0 410.356 2.444 50 0 HEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC ZINC000004891005 557610457 /nfs/dbraw/zinc/61/04/57/557610457.db2.gz YIDPUHCIBUVUHX-GOSISDBHSA-N 1 0 411.458 2.126 50 0 HEAARO CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)cc1 ZINC000008739544 557803438 /nfs/dbraw/zinc/80/34/38/557803438.db2.gz SCILONSZOSKULH-UHFFFAOYSA-N 1 0 409.534 2.101 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1F ZINC000022767168 557815017 /nfs/dbraw/zinc/81/50/17/557815017.db2.gz ONXKTIRUMYLLQL-QGZVFWFLSA-N 1 0 413.540 2.163 50 0 HEAARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796124 557823082 /nfs/dbraw/zinc/82/30/82/557823082.db2.gz WNYBUMOVALHFQG-FQEVSTJZSA-N 1 0 412.509 2.486 50 0 HEAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1ccccc1C ZINC000009194467 557827333 /nfs/dbraw/zinc/82/73/33/557827333.db2.gz ACHSKKYVUZAGBK-UHFFFAOYSA-N 1 0 411.462 2.067 50 0 HEAARO COC[C@H](O)CNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011706394 558270793 /nfs/dbraw/zinc/27/07/93/558270793.db2.gz PUUFEADQQXEYFY-QGZVFWFLSA-N 1 0 406.523 2.218 50 0 HEAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CNCc3csc(C)n3)c2)CC1 ZINC000019791439 558282836 /nfs/dbraw/zinc/28/28/36/558282836.db2.gz IOMVEAWMHWXQQZ-FQEVSTJZSA-N 1 0 404.580 2.119 50 0 HEAARO COc1cc(C[NH2+]CCc2cccs2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011873058 558290981 /nfs/dbraw/zinc/29/09/81/558290981.db2.gz PTGAMMDZJBIMND-GOSISDBHSA-N 1 0 406.548 2.161 50 0 HEAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000011909063 558296115 /nfs/dbraw/zinc/29/61/15/558296115.db2.gz HAUOZJMNEZPXKP-SFHVURJKSA-N 1 0 413.522 2.331 50 0 HEAARO Cc1c(C(=O)NC2CC2)sc2ncnc(N3CCC([NH+]4CCOCC4)CC3)c12 ZINC000019882601 558301470 /nfs/dbraw/zinc/30/14/70/558301470.db2.gz CQNSORKUCGPPTN-UHFFFAOYSA-N 1 0 401.536 2.193 50 0 HEAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012053781 558315093 /nfs/dbraw/zinc/31/50/93/558315093.db2.gz ZIWGIAOYJLXTHM-OAQYLSRUSA-N 1 0 400.519 2.099 50 0 HEAARO CN(CC[NH+]1CCCCC1)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012058259 558316878 /nfs/dbraw/zinc/31/68/78/558316878.db2.gz WPLKNHVRGZDXFB-UHFFFAOYSA-N 1 0 410.478 2.392 50 0 HEAARO C/C(=C\c1ccccc1)C[N@H+]1CCc2nnc(CCNC(=O)[C@H]3CCCO3)n2CC1 ZINC000012150372 558338908 /nfs/dbraw/zinc/33/89/08/558338908.db2.gz DQQHDMPPLCVEFF-BONDDZEJSA-N 1 0 409.534 2.077 50 0 HEAARO O=C(NCCn1cccn1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000020166257 558342866 /nfs/dbraw/zinc/34/28/66/558342866.db2.gz WPDJRANSISRAJR-JOCHJYFZSA-N 1 0 409.578 2.418 50 0 HEAARO CN1CCC([N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020201190 558345712 /nfs/dbraw/zinc/34/57/12/558345712.db2.gz QLENXLQVAJPGRF-OAQYLSRUSA-N 1 0 400.567 2.092 50 0 HEAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020517774 558383083 /nfs/dbraw/zinc/38/30/83/558383083.db2.gz KRMINIISJISQMD-GRXQJBFDSA-N 1 0 417.506 2.242 50 0 HEAARO CCOc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1 ZINC000020775342 558411904 /nfs/dbraw/zinc/41/19/04/558411904.db2.gz NGHAKIOBWCEXFQ-UHFFFAOYSA-N 1 0 409.490 2.301 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CCC(=O)OC ZINC000012466961 558420720 /nfs/dbraw/zinc/42/07/20/558420720.db2.gz KTYGCFFLCZQNTK-UHFFFAOYSA-N 1 0 406.523 2.335 50 0 HEAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CCN(Cc3cccc(O)c3)CC2)CC1 ZINC000012714703 558454683 /nfs/dbraw/zinc/45/46/83/558454683.db2.gz GABZKNLAYKTPLS-QFIPXVFZSA-N 1 0 401.551 2.364 50 0 HEAARO CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000022509234 558492685 /nfs/dbraw/zinc/49/26/85/558492685.db2.gz GKICOBVEZQGEEJ-GOSISDBHSA-N 1 0 407.518 2.387 50 0 HEAARO CC[NH+](CC)CCN(C)[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000023128925 558536515 /nfs/dbraw/zinc/53/65/15/558536515.db2.gz NKLREDNYERYIGP-IBGZPJMESA-N 1 0 419.614 2.142 50 0 HEAARO COC(=O)C1C(C[N@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566235 558541007 /nfs/dbraw/zinc/54/10/07/558541007.db2.gz HPQPUHWWPCAXES-LAPQFRIASA-N 1 0 417.506 2.463 50 0 HEAARO CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000023240062 558544759 /nfs/dbraw/zinc/54/47/59/558544759.db2.gz HPYULEWSFNSJGW-NHCUHLMSSA-N 1 0 419.566 2.313 50 0 HEAARO CC[NH+]1CCN(c2nc3ccc(C)cn3c(=O)c2C=C2SC(=S)NC2=O)CC1 ZINC000024117433 558589860 /nfs/dbraw/zinc/58/98/60/558589860.db2.gz WDJCCZGJJGDASE-UVTDQMKNSA-N 1 0 415.544 2.474 50 0 HEAARO C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(c4ccccc4F)CC3)cn2)CC1 ZINC000026284693 558658336 /nfs/dbraw/zinc/65/83/36/558658336.db2.gz PDAIGIGEZSNVBM-UHFFFAOYSA-N 1 0 412.513 2.004 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccsc1 ZINC000026392763 558660158 /nfs/dbraw/zinc/66/01/58/558660158.db2.gz YYPKGNGEBFVJRF-SFHVURJKSA-N 1 0 422.576 2.067 50 0 HEAARO C[C@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014752060 558671088 /nfs/dbraw/zinc/67/10/88/558671088.db2.gz IOZMJZLTKZCFCA-GOSISDBHSA-N 1 0 408.502 2.261 50 0 HEAARO CN(Cc1ccco1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000014882564 558676653 /nfs/dbraw/zinc/67/66/53/558676653.db2.gz PEHMWXXRZIIXQO-JOCHJYFZSA-N 1 0 415.465 2.026 50 0 HEAARO O=C(Cn1cncn1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014964485 558685410 /nfs/dbraw/zinc/68/54/10/558685410.db2.gz RKRWEZYXAYSXEC-HSZRJFAPSA-N 1 0 423.561 2.165 50 0 HEAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3csnn3)C2)cc1 ZINC000014994773 558695708 /nfs/dbraw/zinc/69/57/08/558695708.db2.gz UNAPQFJJJAIOOQ-AEFFLSMTSA-N 1 0 400.504 2.451 50 0 HEAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015008213 558699236 /nfs/dbraw/zinc/69/92/36/558699236.db2.gz FZANXIAWAWYXDR-LJQANCHMSA-N 1 0 402.516 2.097 50 0 HEAARO Cc1ncsc1CCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000015067062 558709886 /nfs/dbraw/zinc/70/98/86/558709886.db2.gz YIYMCRPWOYYOER-LJQANCHMSA-N 1 0 405.564 2.246 50 0 HEAARO COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000015070156 558712383 /nfs/dbraw/zinc/71/23/83/558712383.db2.gz WRFCCCNVMCRBJP-OAQYLSRUSA-N 1 0 400.519 2.365 50 0 HEAARO CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000035913053 558795869 /nfs/dbraw/zinc/79/58/69/558795869.db2.gz QVGBPRMAWHLBDY-UHFFFAOYSA-N 1 0 403.504 2.274 50 0 HEAARO COCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)s1 ZINC000033032145 558856665 /nfs/dbraw/zinc/85/66/65/558856665.db2.gz ORBDORMUXFTJDX-UHFFFAOYSA-N 1 0 403.508 2.153 50 0 HEAARO CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033033085 558857230 /nfs/dbraw/zinc/85/72/30/558857230.db2.gz SMVYGFXUTQSHOQ-UHFFFAOYSA-N 1 0 422.938 2.252 50 0 HEAARO CC[C@@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033033943 558858113 /nfs/dbraw/zinc/85/81/13/558858113.db2.gz MSQVAVQUIFBYOL-MRXNPFEDSA-N 1 0 416.547 2.425 50 0 HEAARO Cc1c(C[NH+]2CCN(Cc3ccccc3CO)CC2)c2ccccc2n1CC(N)=O ZINC000055358488 558879965 /nfs/dbraw/zinc/87/99/65/558879965.db2.gz USWCMTDRKPIYPJ-UHFFFAOYSA-N 1 0 406.530 2.245 50 0 HEAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCN(CC)CC4)c(C)c32)CC1 ZINC000033048391 558885806 /nfs/dbraw/zinc/88/58/06/558885806.db2.gz LSOYVDNKVNCPLM-UHFFFAOYSA-N 1 0 416.595 2.309 50 0 HEAARO COc1ccc(C[C@@H]([NH2+]C[C@@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993535 558893287 /nfs/dbraw/zinc/89/32/87/558893287.db2.gz YNISYUGGABUNQW-NFBKMPQASA-N 1 0 400.519 2.270 50 0 HEAARO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000058053883 558897040 /nfs/dbraw/zinc/89/70/40/558897040.db2.gz JBTGMCRTEQERAC-OAHLLOKOSA-N 1 0 410.540 2.038 50 0 HEAARO NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1F ZINC000058175530 558909469 /nfs/dbraw/zinc/90/94/69/558909469.db2.gz CPXIKJWFUJDEKR-LBPRGKRZSA-N 1 0 415.487 2.241 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CN(CC(=O)N(C)C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000058196284 558910857 /nfs/dbraw/zinc/91/08/57/558910857.db2.gz WITSVCRLZOEQLY-SFHVURJKSA-N 1 0 405.539 2.038 50 0 HEAARO C[C@H](CCNC(=O)CC1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC000033254536 558918372 /nfs/dbraw/zinc/91/83/72/558918372.db2.gz QPXCNYPUGPNVAP-GOSISDBHSA-N 1 0 407.580 2.468 50 0 HEAARO CCC[NH+](CCC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000058337612 558920355 /nfs/dbraw/zinc/92/03/55/558920355.db2.gz BBGZNIHDZRAAEV-UHFFFAOYSA-N 1 0 407.580 2.130 50 0 HEAARO O=C(C[C@@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)N1CCCOCC1 ZINC000072161427 558930254 /nfs/dbraw/zinc/93/02/54/558930254.db2.gz CXIBCBYXSFYUEJ-HSZRJFAPSA-N 1 0 421.541 2.258 50 0 HEAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799900 558965802 /nfs/dbraw/zinc/96/58/02/558965802.db2.gz FOWOJVIAXDPDGK-UHFFFAOYSA-N 1 0 419.888 2.377 50 0 HEAARO Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800375 558966076 /nfs/dbraw/zinc/96/60/76/558966076.db2.gz AXNAPVRLTXANIN-UHFFFAOYSA-N 1 0 410.478 2.468 50 0 HEAARO Cc1ccc(F)cc1S(=O)(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000065365260 558976110 /nfs/dbraw/zinc/97/61/10/558976110.db2.gz YUHMRPYFSQAQQX-UHFFFAOYSA-N 1 0 419.526 2.344 50 0 HEAARO Cc1nc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)cc(N(C)C)[nH+]1 ZINC000072437639 558980934 /nfs/dbraw/zinc/98/09/34/558980934.db2.gz OGWYKLWNJBITTI-UHFFFAOYSA-N 1 0 419.489 2.396 50 0 HEAARO [NH3+]CCn1cc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)nn1 ZINC000067649512 558990694 /nfs/dbraw/zinc/99/06/94/558990694.db2.gz SXQPMKRLYUOTRJ-UHFFFAOYSA-N 1 0 406.368 2.373 50 0 HEAARO O=C(CSc1nnnn1-c1cccc(F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023078418 558999281 /nfs/dbraw/zinc/99/92/81/558999281.db2.gz QASJBMBZGJQBMB-QGZVFWFLSA-N 1 0 412.494 2.284 50 0 HEAARO CCC[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)NCc3cccs3)ccc2C1 ZINC000077407269 559004105 /nfs/dbraw/zinc/00/41/05/559004105.db2.gz PNJCPQCGBFOQKQ-SFHVURJKSA-N 1 0 407.561 2.239 50 0 HEAARO O=C(NCC1(CO)CCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082114514 559039006 /nfs/dbraw/zinc/03/90/06/559039006.db2.gz MJOJPBOHRCRELE-FQEVSTJZSA-N 1 0 400.567 2.037 50 0 HEAARO Cc1nn(C)cc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082137457 559040522 /nfs/dbraw/zinc/04/05/22/559040522.db2.gz VJXABSAVUGLKHJ-IBGZPJMESA-N 1 0 410.566 2.116 50 0 HEAARO O=C(NCC1(CO)CCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082167372 559042213 /nfs/dbraw/zinc/04/22/13/559042213.db2.gz JXVIQJGNYJNJAA-OAQYLSRUSA-N 1 0 414.594 2.427 50 0 HEAARO CC(C)(CO)NC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091650774 559072724 /nfs/dbraw/zinc/07/27/24/559072724.db2.gz UHKSJVHXAGEEBQ-MRXNPFEDSA-N 1 0 400.523 2.396 50 0 HEAARO COc1cc(C)ccc1OCC[N@@H+]1CC[C@@]2(O)CCN(C(=O)C3CCC3)C[C@H]2C1 ZINC000095382288 559080511 /nfs/dbraw/zinc/08/05/11/559080511.db2.gz KBKLNLHVPCYKOL-AUSIDOKSSA-N 1 0 402.535 2.468 50 0 HEAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](CCO)C[C@@H]12 ZINC000033428959 559190795 /nfs/dbraw/zinc/19/07/95/559190795.db2.gz BKTKCSYTIZBPQN-VWNXMTODSA-N 1 0 404.514 2.443 50 0 HEAARO Cc1cccn2cc(COc3ccc(C(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc3)nc12 ZINC000011701928 559226646 /nfs/dbraw/zinc/22/66/46/559226646.db2.gz OWRTYPZQRCIZBJ-SFHVURJKSA-N 1 0 413.499 2.481 50 0 HEAARO Cc1ccc2nc(COc3ccc(C(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc3)cn2c1 ZINC000011701966 559226650 /nfs/dbraw/zinc/22/66/50/559226650.db2.gz LRYHFBRVYTVQAO-SFHVURJKSA-N 1 0 413.499 2.481 50 0 HEAARO COC(=O)C1C(CN2CC[NH+](CC(C)C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318436 560858504 /nfs/dbraw/zinc/85/85/04/560858504.db2.gz GLWPOJMGPRCYEJ-FQEVSTJZSA-N 1 0 400.523 2.050 50 0 HEAARO CCOC(=O)C1C(CN2CC[NH+](C(C)C)CC2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000051318484 560858698 /nfs/dbraw/zinc/85/86/98/560858698.db2.gz RBSSRPYEKXRBBY-FQEVSTJZSA-N 1 0 400.523 2.192 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cccc(C)c2I)CC1 ZINC000048217853 568432472 /nfs/dbraw/zinc/43/24/72/568432472.db2.gz YKTYZCZOHYMVMG-UHFFFAOYSA-N 1 0 415.319 2.357 50 0 HEAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000048309891 568436547 /nfs/dbraw/zinc/43/65/47/568436547.db2.gz QNDZLZULGKAQFG-HDICACEKSA-N 1 0 421.607 2.452 50 0 HEAARO CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000048310431 568436617 /nfs/dbraw/zinc/43/66/17/568436617.db2.gz YJNCLHOMQXSYTK-NRFANRHFSA-N 1 0 402.539 2.406 50 0 HEAARO O=C(NCCc1ccccc1F)C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000048341804 568440501 /nfs/dbraw/zinc/44/05/01/568440501.db2.gz SROFLLUMVVLROS-UHFFFAOYSA-N 1 0 423.488 2.493 50 0 HEAARO COC(=O)c1c(-c2ccccc2)csc1NC(=O)C[NH2+]CCCN1CCOCC1 ZINC000095011309 568594066 /nfs/dbraw/zinc/59/40/66/568594066.db2.gz BRQKPRKVOQPZPO-UHFFFAOYSA-N 1 0 417.531 2.452 50 0 HEAARO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000095408116 568606298 /nfs/dbraw/zinc/60/62/98/568606298.db2.gz YKDBDFWUFUKFFO-INIZCTEOSA-N 1 0 408.518 2.219 50 0 HEAARO CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000095449874 568614076 /nfs/dbraw/zinc/61/40/76/568614076.db2.gz TYTHSCYEJUUBHO-CRAIPNDOSA-N 1 0 422.595 2.130 50 0 HEAARO CC1(C)CC(NC(=O)C[C@H]2NC(=O)N(CCc3ccccc3)C2=O)CC(C)(C)[NH2+]1 ZINC000095477157 568631017 /nfs/dbraw/zinc/63/10/17/568631017.db2.gz HHGHNUNAJNULLK-QGZVFWFLSA-N 1 0 400.523 2.169 50 0 HEAARO O=C(CCn1cccc1)NCCC[N@H+](CCN1CCOCC1)Cc1cccs1 ZINC000021016674 568657768 /nfs/dbraw/zinc/65/77/68/568657768.db2.gz SCRTUFBNLHBDKU-UHFFFAOYSA-N 1 0 404.580 2.280 50 0 HEAARO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000095983266 568675578 /nfs/dbraw/zinc/67/55/78/568675578.db2.gz QHWXWQSNQZDZEK-HNNXBMFYSA-N 1 0 415.625 2.463 50 0 HEAARO O=C(c1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000095999982 568680894 /nfs/dbraw/zinc/68/08/94/568680894.db2.gz PUUASLKNKKSILT-HXUWFJFHSA-N 1 0 405.564 2.181 50 0 HEAARO Cn1c2cc(S(=O)(=O)NCC3CC[NH+](Cc4ccccc4)CC3)ccc2oc1=O ZINC000096025668 568686514 /nfs/dbraw/zinc/68/65/14/568686514.db2.gz HATBAUONZVZZFM-UHFFFAOYSA-N 1 0 415.515 2.322 50 0 HEAARO CCN(CC)C(=O)[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1OC(C)=O ZINC000058563753 568699815 /nfs/dbraw/zinc/69/98/15/568699815.db2.gz JSZILQVIPPROJI-QRVBRYPASA-N 1 0 404.507 2.423 50 0 world HEAARO C[NH+](C)CCCN(C(=O)c1csc(-c2ccsc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000096989737 568765856 /nfs/dbraw/zinc/76/58/56/568765856.db2.gz KACDSJXHGLNQPL-CQSZACIVSA-N 1 0 413.590 2.453 50 0 HEAARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022579303 568770375 /nfs/dbraw/zinc/77/03/75/568770375.db2.gz AARUJRSMYJBZAV-IBGZPJMESA-N 1 0 421.538 2.410 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CC[NH+](C)CC2)cc1 ZINC000022579186 568770409 /nfs/dbraw/zinc/77/04/09/568770409.db2.gz QCLOFFCDCGPWMJ-QFIPXVFZSA-N 1 0 424.545 2.355 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CC[NH+](C)CC2)cc1 ZINC000022582718 568770601 /nfs/dbraw/zinc/77/06/01/568770601.db2.gz BMGPCODSKBJDDQ-HXUWFJFHSA-N 1 0 416.472 2.317 50 0 HEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000299754489 568782242 /nfs/dbraw/zinc/78/22/42/568782242.db2.gz XKICDWOBYLFPDY-MJGOQNOKSA-N 1 0 422.533 2.157 50 0 biogenic HEAARO C[NH+](C)[C@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000230078756 568831599 /nfs/dbraw/zinc/83/15/99/568831599.db2.gz QHZKNAZWHFFRKC-RCZVLFRGSA-N 1 0 412.493 2.354 50 0 HEAARO Cc1noc2nc(C)cc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)c12 ZINC000670434417 568869848 /nfs/dbraw/zinc/86/98/48/568869848.db2.gz SOGZJLBUCXRLBT-SSSUMRQXSA-N 1 0 417.513 2.137 50 0 HEAARO Cc1ccc(C)c(C[N@@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)c1 ZINC000299758538 568872855 /nfs/dbraw/zinc/87/28/55/568872855.db2.gz JWUDLSSPKDWBHW-VXKWHMMOSA-N 1 0 404.518 2.464 50 0 HEAARO C[C@H]1CCCCN1C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000299769493 568874097 /nfs/dbraw/zinc/87/40/97/568874097.db2.gz RXLFVMSNABCDAN-KSFYIVLOSA-N 1 0 403.498 2.175 50 0 HEAARO CN1CCN(C(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](c2ccccc2)C1 ZINC000058015436 568876123 /nfs/dbraw/zinc/87/61/23/568876123.db2.gz BTRMLJGTUUJXDF-OAQYLSRUSA-N 1 0 420.513 2.059 50 0 HEAARO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc2ccccc2c1 ZINC000012750961 568940615 /nfs/dbraw/zinc/94/06/15/568940615.db2.gz QKEPQRFZCVHLOH-IBGZPJMESA-N 1 0 408.546 2.257 50 0 HEAARO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000015672353 568962600 /nfs/dbraw/zinc/96/26/00/568962600.db2.gz AOXUFMZTBVWWAH-INIZCTEOSA-N 1 0 420.583 2.016 50 0 HEAARO O=S(=O)(c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc1)N1CCOCC1 ZINC000008063502 568971183 /nfs/dbraw/zinc/97/11/83/568971183.db2.gz ZVZUUAKFKKQPBL-SFHVURJKSA-N 1 0 420.535 2.335 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C[N@@H+]3CCc4ccccc4C3)C2)c[nH]1 ZINC000015731739 568981668 /nfs/dbraw/zinc/98/16/68/568981668.db2.gz QIMQCAQWWMDPSO-INIZCTEOSA-N 1 0 417.531 2.260 50 0 HEAARO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH+](C)C)c2)C1 ZINC000008328576 568992712 /nfs/dbraw/zinc/99/27/12/568992712.db2.gz CAFCLGSVBUUFRR-ZIAGYGMSSA-N 1 0 401.960 2.298 50 0 HEAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccccc2)c1 ZINC000015862702 569015968 /nfs/dbraw/zinc/01/59/68/569015968.db2.gz ZWZQHZFEHXBLLP-UHFFFAOYSA-N 1 0 401.532 2.008 50 0 HEAARO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1 ZINC000012904862 569021139 /nfs/dbraw/zinc/02/11/39/569021139.db2.gz ZADOXTBLWFXACG-SFHVURJKSA-N 1 0 403.475 2.405 50 0 HEAARO CSCC[C@H]1[NH2+][C@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015957341 569024644 /nfs/dbraw/zinc/02/46/44/569024644.db2.gz HGEBMVUMLBLGLT-QSNWEANLSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO O[C@@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022077479 569042506 /nfs/dbraw/zinc/04/25/06/569042506.db2.gz LZJPRBUYHCLOCZ-UXHICEINSA-N 1 0 402.466 2.165 50 0 HEAARO Nc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000215672025 569051908 /nfs/dbraw/zinc/05/19/08/569051908.db2.gz SOGBCPRENAOXIB-HNNXBMFYSA-N 1 0 421.238 2.295 50 0 HEAARO C[C@H]1C[N@H+](C)CC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000241409009 569054761 /nfs/dbraw/zinc/05/47/61/569054761.db2.gz NDUVVMIZMQMBOB-HRAATJIYSA-N 1 0 419.591 2.032 50 0 HEAARO Cc1cccc(C)c1N1CC[NH+](CCCNC(=O)c2nc(-c3ccncn3)no2)CC1 ZINC000064459818 569063061 /nfs/dbraw/zinc/06/30/61/569063061.db2.gz SFLDEDNMXAJXES-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1ccc(F)cc1 ZINC000035991548 569074592 /nfs/dbraw/zinc/07/45/92/569074592.db2.gz ZLVNPFMNTZHEAA-FQEVSTJZSA-N 1 0 418.513 2.367 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(F)cc1 ZINC000035991549 569074694 /nfs/dbraw/zinc/07/46/94/569074694.db2.gz ZLVNPFMNTZHEAA-HXUWFJFHSA-N 1 0 418.513 2.367 50 0 HEAARO Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cccs2)CC3)cc1 ZINC000065074766 569169068 /nfs/dbraw/zinc/16/90/68/569169068.db2.gz OFKKSUQVUCIBJB-UHFFFAOYSA-N 1 0 418.588 2.371 50 0 biogenic HEAARO Cc1cccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cccs2)CC3)c1 ZINC000065074773 569169106 /nfs/dbraw/zinc/16/91/06/569169106.db2.gz IJLTUVYHAQDTFD-UHFFFAOYSA-N 1 0 418.588 2.371 50 0 biogenic HEAARO Cc1ccccc1CNC1=[NH+]CCNC12CCN(S(=O)(=O)c1cccs1)CC2 ZINC000065074769 569169149 /nfs/dbraw/zinc/16/91/49/569169149.db2.gz AOZLJBDQWMQKRK-UHFFFAOYSA-N 1 0 418.588 2.371 50 0 biogenic HEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000065227168 569200200 /nfs/dbraw/zinc/20/02/00/569200200.db2.gz KLYWHQUDUNQGJL-FQEVSTJZSA-N 1 0 416.529 2.416 50 0 HEAARO CS(=O)(=O)NCC1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000036709693 569223570 /nfs/dbraw/zinc/22/35/70/569223570.db2.gz JEKSPDTUIQFQEC-UHFFFAOYSA-N 1 0 407.580 2.123 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000013691746 569257267 /nfs/dbraw/zinc/25/72/67/569257267.db2.gz WDKZIRCIAYUKBA-CTWPCTMYSA-N 1 0 407.580 2.372 50 0 HEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012316 569271620 /nfs/dbraw/zinc/27/16/20/569271620.db2.gz UWEWJFUHWVSPHN-UHFFFAOYSA-N 1 0 414.941 2.153 50 0 HEAARO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccn2C)C1=O ZINC000252444233 569286016 /nfs/dbraw/zinc/28/60/16/569286016.db2.gz XKSHWGCWLPXFFS-AVRDEDQJSA-N 1 0 409.490 2.051 50 0 HEAARO Cc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccccc2)[NH+]2CCCC2)o1 ZINC000252538109 569293192 /nfs/dbraw/zinc/29/31/92/569293192.db2.gz MSBMEALNMAWFCD-NYVOZVTQSA-N 1 0 411.502 2.440 50 0 HEAARO Nc1c(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000007737466 569304855 /nfs/dbraw/zinc/30/48/55/569304855.db2.gz RFVBEXXBFARRII-QGZVFWFLSA-N 1 0 409.490 2.399 50 0 HEAARO O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820117 569320894 /nfs/dbraw/zinc/32/08/94/569320894.db2.gz RVWUADPJACWWGR-FQEVSTJZSA-N 1 0 409.534 2.386 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000253414409 569366957 /nfs/dbraw/zinc/36/69/57/569366957.db2.gz XKICDWOBYLFPDY-PKOBYXMFSA-N 1 0 422.533 2.157 50 0 biogenic HEAARO O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000252496902 569387670 /nfs/dbraw/zinc/38/76/70/569387670.db2.gz PULZXIRAVWIPNH-FQEVSTJZSA-N 1 0 406.486 2.487 50 0 HEAARO Cc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1S(=O)(=O)NCCC[NH+](C)C ZINC000002368588 569388445 /nfs/dbraw/zinc/38/84/45/569388445.db2.gz ZDYUCRCMQOFSMI-UHFFFAOYSA-N 1 0 414.531 2.139 50 0 HEAARO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286590 571064465 /nfs/dbraw/zinc/06/44/65/571064465.db2.gz GZEPULFLGNGOMV-FQEVSTJZSA-N 1 0 400.523 2.058 50 0 HEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 ZINC000040087005 571157662 /nfs/dbraw/zinc/15/76/62/571157662.db2.gz UYRFDUQJWXPJAK-UHFFFAOYSA-N 1 0 420.513 2.395 50 0 HEAARO O=C([C@H]1CCCO1)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244983835 571211331 /nfs/dbraw/zinc/21/13/31/571211331.db2.gz ISRXKEHCIJUSTB-QGZVFWFLSA-N 1 0 412.456 2.392 50 0 HEAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC[N@@H+]2CCCC[C@H]2C)C(C)C)c1 ZINC000245224802 571217514 /nfs/dbraw/zinc/21/75/14/571217514.db2.gz FEQQPXLECBVUBP-UZLBHIALSA-N 1 0 405.539 2.449 50 0 HEAARO Cn1c2cn(CCC[NH+](C)C)c(-c3ccc(Br)cc3)c2c(=O)n(C)c1=O ZINC000009348874 571250456 /nfs/dbraw/zinc/25/04/56/571250456.db2.gz NNQAPELJGDJYTA-UHFFFAOYSA-N 1 0 419.323 2.420 50 0 HEAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000009528448 571266298 /nfs/dbraw/zinc/26/62/98/571266298.db2.gz HSIDBPYPGROYSH-QGZVFWFLSA-N 1 0 401.598 2.432 50 0 HEAARO C[NH+](C)Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000009917067 571290173 /nfs/dbraw/zinc/29/01/73/571290173.db2.gz AWUWWJVDWXCUDW-UHFFFAOYSA-N 1 0 415.559 2.465 50 0 HEAARO C[N@H+](CCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1 ZINC000009984028 571293507 /nfs/dbraw/zinc/29/35/07/571293507.db2.gz NTRRZUXAWOCCGM-UHFFFAOYSA-N 1 0 401.532 2.379 50 0 HEAARO Cc1ccc(C)c(N2CCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000010233798 571297741 /nfs/dbraw/zinc/29/77/41/571297741.db2.gz UROKJCBUSVKHCV-UHFFFAOYSA-N 1 0 422.533 2.151 50 0 HEAARO COc1ccc(C(=O)N2CCC3(C[C@H](CN4CCOCC4)[N@H+](C)C3)CC2)cc1F ZINC000581802328 1078771806 /nfs/dbraw/zinc/77/18/06/1078771806.db2.gz FJAKMJMMNSTOCW-GOSISDBHSA-N 1 0 405.514 2.093 50 0 HEAARO O=C(CN1C(=O)[C@H](Oc2ccc(F)cc2)C12CCCCC2)NCC[NH+]1CCCC1 ZINC000581803478 1078780063 /nfs/dbraw/zinc/78/00/63/1078780063.db2.gz VGWDQTXOCDRQJE-FQEVSTJZSA-N 1 0 403.498 2.330 50 0 HEAARO CS(=O)(=O)N1CCC(Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000581806216 1078782011 /nfs/dbraw/zinc/78/20/11/1078782011.db2.gz WGALJALCUVZDPV-UHFFFAOYSA-N 1 0 407.580 2.116 50 0 HEAARO O=C(c1ccoc1)N1CCC(N2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000581814194 1078794110 /nfs/dbraw/zinc/79/41/10/1078794110.db2.gz ABQPNWYHXUMVAH-BGYRXZFFSA-N 1 0 407.470 2.001 50 0 HEAARO COc1ccc([C@@H](CNC(=O)CN2C(=O)COc3ccccc32)[NH+]2CCCC2)cc1 ZINC000008776279 132333267 /nfs/dbraw/zinc/33/32/67/132333267.db2.gz VFJGCFVGXSYFKZ-HXUWFJFHSA-N 1 0 409.486 2.374 50 0 HEAARO Cc1c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cnn1C ZINC000011763868 132350293 /nfs/dbraw/zinc/35/02/93/132350293.db2.gz HKNBIWNZJXPZCS-FQEVSTJZSA-N 1 0 410.566 2.465 50 0 HEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012719031 132366164 /nfs/dbraw/zinc/36/61/64/132366164.db2.gz YQEACOUVNGXZHQ-HXUWFJFHSA-N 1 0 408.550 2.294 50 0 HEAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012764088 132366826 /nfs/dbraw/zinc/36/68/26/132366826.db2.gz KZRZQRJGODMMEF-HXUWFJFHSA-N 1 0 413.497 2.366 50 0 HEAARO CS(=O)(=O)Nc1cc(C(=O)NCc2ccccc2Cl)ccc1N1CC[NH2+]CC1 ZINC000033034064 132500743 /nfs/dbraw/zinc/50/07/43/132500743.db2.gz QNVOFVXIKJQKJL-UHFFFAOYSA-N 1 0 422.938 2.051 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548943 520562985 /nfs/dbraw/zinc/56/29/85/520562985.db2.gz MURBGNLIIHCKGI-KSVNGYGVSA-N 1 0 405.495 2.099 50 0 HEAARO CCn1cc(CN2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538933 523371084 /nfs/dbraw/zinc/37/10/84/523371084.db2.gz GSQRRZWGMWPFMM-NRFANRHFSA-N 1 0 411.550 2.414 50 0 HEAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000032795854 524026734 /nfs/dbraw/zinc/02/67/34/524026734.db2.gz NHUZJSYMSCPVRM-HXUWFJFHSA-N 1 0 409.534 2.436 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCC2)c(C)c1 ZINC000045944097 524313910 /nfs/dbraw/zinc/31/39/10/524313910.db2.gz DFTPQCBKLGPUBC-UHFFFAOYSA-N 1 0 407.580 2.367 50 0 HEAARO C[C@@H](CCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000072437965 524487350 /nfs/dbraw/zinc/48/73/50/524487350.db2.gz MAVHMWRRISREED-SFHVURJKSA-N 1 0 407.580 2.219 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1F ZINC000022766299 525006445 /nfs/dbraw/zinc/00/64/45/525006445.db2.gz YWPYRKSHAQZCAO-GOSISDBHSA-N 1 0 404.511 2.239 50 0 HEAARO C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040160868 525576402 /nfs/dbraw/zinc/57/64/02/525576402.db2.gz IHRCOYIRCCNSOX-MRXNPFEDSA-N 1 0 419.522 2.273 50 0 HEAARO CSc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1 ZINC000020599374 525994355 /nfs/dbraw/zinc/99/43/55/525994355.db2.gz VRJIATHCCNNEKI-UHFFFAOYSA-N 1 0 422.558 2.426 50 0 HEAARO Cc1ccc2[nH]c3c(cnn(CC(=O)NCC[N@@H+]4CCc5ccccc5C4)c3=O)c2c1 ZINC000020574545 526110348 /nfs/dbraw/zinc/11/03/48/526110348.db2.gz DMPIENDBXZDEEY-UHFFFAOYSA-N 1 0 415.497 2.361 50 0 HEAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(OC)c(C)cc3C)CC2)n1 ZINC000009620932 535521194 /nfs/dbraw/zinc/52/11/94/535521194.db2.gz YLGCWGITDUFARR-UHFFFAOYSA-N 1 0 419.551 2.353 50 0 HEAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)n1 ZINC000009620940 535521448 /nfs/dbraw/zinc/52/14/48/535521448.db2.gz IVVRFLHIJSWWJG-UHFFFAOYSA-N 1 0 419.551 2.353 50 0 HEAARO COc1ccc([C@H](CNC(=O)c2cc(N3CCOCC3)ccn2)[NH+]2CCCC2)cc1 ZINC000008704897 536916491 /nfs/dbraw/zinc/91/64/91/536916491.db2.gz SAFGPPUJONQZSD-QFIPXVFZSA-N 1 0 410.518 2.494 50 0 HEAARO NS(=O)(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000001121987 557191581 /nfs/dbraw/zinc/19/15/81/557191581.db2.gz WCIVQQGYKYYIIF-UHFFFAOYSA-N 1 0 404.561 2.285 50 0 HEAARO NC(=O)C1CC[NH+]([C@H]2CC(=O)N(CC(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000001457228 557267968 /nfs/dbraw/zinc/26/79/68/557267968.db2.gz MWMRGONOZSUUKA-NRFANRHFSA-N 1 0 405.498 2.143 50 0 HEAARO CCOc1ccccc1OCC[NH2+][C@@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000001846741 557291788 /nfs/dbraw/zinc/29/17/88/557291788.db2.gz DRHKJLXJIQTDTD-HNNXBMFYSA-N 1 0 408.520 2.341 50 0 in-man HEAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677375 557364784 /nfs/dbraw/zinc/36/47/84/557364784.db2.gz YMERVXHWUVWPIB-LJQANCHMSA-N 1 0 418.513 2.412 50 0 HEAARO CCOC(=O)c1ccc(NC(=O)COc2ccc(C[NH2+]CCO)cc2OCC)cc1 ZINC000005064950 557633423 /nfs/dbraw/zinc/63/34/23/557633423.db2.gz ZKNHTRHIDCHQRQ-UHFFFAOYSA-N 1 0 416.474 2.361 50 0 HEAARO COc1cccc(C(=O)N2[C@H](C(=O)NCC[NH+](C)C)COC23CCC(C)CC3)c1 ZINC000006833347 557726287 /nfs/dbraw/zinc/72/62/87/557726287.db2.gz BKWPBHOMICYFQN-UEUGHCDMSA-N 1 0 403.523 2.120 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022796564 557823303 /nfs/dbraw/zinc/82/33/03/557823303.db2.gz SZIUWQBXUNNKOM-JOCHJYFZSA-N 1 0 412.578 2.406 50 0 HEAARO COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCc1cccc(C)c1 ZINC000009194466 557827323 /nfs/dbraw/zinc/82/73/23/557827323.db2.gz URSYAPXKUFIEBC-UHFFFAOYSA-N 1 0 411.462 2.067 50 0 HEAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000011783705 558275381 /nfs/dbraw/zinc/27/53/81/558275381.db2.gz FMIBJLHHPKLYGD-OAHLLOKOSA-N 1 0 407.474 2.355 50 0 HEAARO CC[NH+]1CCN(C[C@@H](O)COc2cccc(CNCc3csc(C)n3)c2)CC1 ZINC000019791438 558282856 /nfs/dbraw/zinc/28/28/56/558282856.db2.gz IOMVEAWMHWXQQZ-HXUWFJFHSA-N 1 0 404.580 2.119 50 0 HEAARO NC(=O)C1(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC000011840508 558286751 /nfs/dbraw/zinc/28/67/51/558286751.db2.gz RAYHCMJAZWCGLZ-LJQANCHMSA-N 1 0 417.525 2.311 50 0 HEAARO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000011950453 558302688 /nfs/dbraw/zinc/30/26/88/558302688.db2.gz NQGGSANUHNZCLU-UHFFFAOYSA-N 1 0 401.486 2.105 50 0 HEAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000011965902 558304255 /nfs/dbraw/zinc/30/42/55/558304255.db2.gz VBFARSRRFPKORQ-LJQANCHMSA-N 1 0 415.538 2.195 50 0 HEAARO Cc1nonc1CNC(=O)c1c(=O)cc(C)n(CC[NH+](C)C)c1CCc1ccccc1 ZINC000012098476 558325255 /nfs/dbraw/zinc/32/52/55/558325255.db2.gz YMAFFOZWDXZMMX-UHFFFAOYSA-N 1 0 423.517 2.125 50 0 HEAARO O=C(NCCn1cccn1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000020166264 558342828 /nfs/dbraw/zinc/34/28/28/558342828.db2.gz WPDJRANSISRAJR-QFIPXVFZSA-N 1 0 409.578 2.418 50 0 HEAARO Cc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)CCc3cccnc3)n2CC1 ZINC000020454425 558368291 /nfs/dbraw/zinc/36/82/91/558368291.db2.gz DEZYUOBUVBEMSA-UHFFFAOYSA-N 1 0 404.518 2.289 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C4CC4)n3CC2)c(OC)c1C ZINC000020785651 558413796 /nfs/dbraw/zinc/41/37/96/558413796.db2.gz XABNFZSALBXSDV-HNNXBMFYSA-N 1 0 413.522 2.249 50 0 HEAARO CCOC(=O)N1CCC([NH+]2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)CC1 ZINC000012458028 558418004 /nfs/dbraw/zinc/41/80/04/558418004.db2.gz RQHFHXQRCOALQO-MRXNPFEDSA-N 1 0 419.526 2.116 50 0 HEAARO CC[NH+](CC)CCSc1nc(-c2ccccc2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000004341310 558424972 /nfs/dbraw/zinc/42/49/72/558424972.db2.gz GTCGFZIPAUELGK-UHFFFAOYSA-N 1 0 413.547 2.437 50 0 HEAARO CC[NH+](CC)CCSc1nc(-c2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004341328 558424989 /nfs/dbraw/zinc/42/49/89/558424989.db2.gz ATYZTRFWSYWDRW-UHFFFAOYSA-N 1 0 413.547 2.437 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)c(C)c1C ZINC000020999779 558428172 /nfs/dbraw/zinc/42/81/72/558428172.db2.gz LFZYEJBVUVWNJX-UHFFFAOYSA-N 1 0 411.550 2.421 50 0 HEAARO CC[NH+](CC)CCNC(=O)CCc1nc2c(C)nn(-c3ccc(C)cc3)c2n(C)c1=O ZINC000021040379 558429908 /nfs/dbraw/zinc/42/99/08/558429908.db2.gz RDCHATHKGSZDLX-UHFFFAOYSA-N 1 0 424.549 2.127 50 0 HEAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)C2=NN(C)C(=O)CC2)cc1 ZINC000012711267 558452407 /nfs/dbraw/zinc/45/24/07/558452407.db2.gz OSPSAEAWTWNIEK-UHFFFAOYSA-N 1 0 400.523 2.016 50 0 HEAARO COc1ccc(-c2nn(CN3CC[NH+](C)CC3)c(=S)n2C[C@H]2CCCO2)cc1 ZINC000022037068 558459322 /nfs/dbraw/zinc/45/93/22/558459322.db2.gz NVDDDUBLQDIDPK-GOSISDBHSA-N 1 0 403.552 2.474 50 0 HEAARO CC[NH+]1CCN(CC(=O)N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)CC1 ZINC000022919799 558522688 /nfs/dbraw/zinc/52/26/88/558522688.db2.gz JGSIRIBRAQVNPR-SFHVURJKSA-N 1 0 403.477 2.282 50 0 HEAARO O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023257592 558546573 /nfs/dbraw/zinc/54/65/73/558546573.db2.gz ZGKNDBUFRHBLFU-UHFFFAOYSA-N 1 0 420.557 2.323 50 0 HEAARO Cc1ccccc1C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC000023805084 558576425 /nfs/dbraw/zinc/57/64/25/558576425.db2.gz IOLDNSDMDXXMOF-UHFFFAOYSA-N 1 0 400.548 2.497 50 0 HEAARO CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014240363 558643211 /nfs/dbraw/zinc/64/32/11/558643211.db2.gz GNCSSHFMUIZAOP-JOCHJYFZSA-N 1 0 409.534 2.155 50 0 HEAARO Cn1c(CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc2ccccc2c1=O ZINC000014254242 558651001 /nfs/dbraw/zinc/65/10/01/558651001.db2.gz RSBFKBTYUVPMIC-UHFFFAOYSA-N 1 0 412.534 2.017 50 0 HEAARO CCC[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014541144 558659919 /nfs/dbraw/zinc/65/99/19/558659919.db2.gz JFJKMKFPUGNXFM-RBUKOAKNSA-N 1 0 404.580 2.045 50 0 HEAARO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H]([NH2+]Cc3cccc(F)c3)C[C@@H]12 ZINC000014733210 558666038 /nfs/dbraw/zinc/66/60/38/558666038.db2.gz XALVWUZHBLUYQV-YYWHXJBOSA-N 1 0 406.461 2.107 50 0 HEAARO C[C@@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014740492 558666476 /nfs/dbraw/zinc/66/64/76/558666476.db2.gz AMAYSTGRUBNYFT-IBGZPJMESA-N 1 0 422.529 2.304 50 0 HEAARO Cc1cc(C[N@@H+](C)[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)on1 ZINC000014742467 558667638 /nfs/dbraw/zinc/66/76/38/558667638.db2.gz VETCHLBDLAVQKF-KRWDZBQOSA-N 1 0 415.538 2.297 50 0 HEAARO CCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3nc(-c4ccc(F)cc4)cs3)CN2C1=O ZINC000014744974 558668692 /nfs/dbraw/zinc/66/86/92/558668692.db2.gz TWRFPGSADDNMCU-ZOBUZTSGSA-N 1 0 402.495 2.307 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014748937 558670219 /nfs/dbraw/zinc/67/02/19/558670219.db2.gz OYZWIGQZANYVNE-UHFFFAOYSA-N 1 0 423.517 2.312 50 0 HEAARO COc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000027605935 558677317 /nfs/dbraw/zinc/67/73/17/558677317.db2.gz JUZHBEXIGBINKK-INIZCTEOSA-N 1 0 417.531 2.448 50 0 HEAARO CSCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014974503 558688879 /nfs/dbraw/zinc/68/88/79/558688879.db2.gz NUVZESWIAOSHBK-IBGZPJMESA-N 1 0 403.592 2.411 50 0 HEAARO COCc1c(C(=O)NCC[NH+]2CCCC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014994010 558695432 /nfs/dbraw/zinc/69/54/32/558695432.db2.gz CZQPCEQRVYLKQC-UHFFFAOYSA-N 1 0 412.519 2.363 50 0 HEAARO Cn1ccnc1[C@](O)(CC(=O)NCC1([NH+]2CCSCC2)CCCC1)C(F)(F)F ZINC000072278421 558704405 /nfs/dbraw/zinc/70/44/05/558704405.db2.gz CKJJVHOCZAXWND-QGZVFWFLSA-N 1 0 420.501 2.038 50 0 HEAARO Cc1nccn1CCC[NH2+]Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000015068133 558710679 /nfs/dbraw/zinc/71/06/79/558710679.db2.gz YTKNQXWRNLWUDZ-GASCZTMLSA-N 1 0 416.551 2.330 50 0 HEAARO Cc1cccn2c(C[NH2+]CCSc3nncn3C)c(C(=O)N3CCCCC3)nc12 ZINC000015068368 558710818 /nfs/dbraw/zinc/71/08/18/558710818.db2.gz AVYDDVHBCOQFHQ-UHFFFAOYSA-N 1 0 413.551 2.279 50 0 HEAARO CCOc1cccc(C[NH2+]CCNC(=O)c2nonc2N)c1OCc1cccs1 ZINC000015356873 558735579 /nfs/dbraw/zinc/73/55/79/558735579.db2.gz XPYBCQNDWXFHBO-UHFFFAOYSA-N 1 0 417.491 2.211 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022147 558767899 /nfs/dbraw/zinc/76/78/99/558767899.db2.gz MURBGNLIIHCKGI-DICRZQGBSA-N 1 0 405.495 2.099 50 0 HEAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000036708061 558801190 /nfs/dbraw/zinc/80/11/90/558801190.db2.gz GABUYOTUMHBBEW-UHFFFAOYSA-N 1 0 409.412 2.482 50 0 HEAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000016699017 558801253 /nfs/dbraw/zinc/80/12/53/558801253.db2.gz AUAHBVQNGCBQOO-VQIMIIECSA-N 1 0 407.474 2.216 50 0 HEAARO COc1ccc(NC(=O)c2nnc(CCCC(=O)NCC[NH+]3CCCC3)s2)cc1 ZINC000032987815 558807795 /nfs/dbraw/zinc/80/77/95/558807795.db2.gz NNBPWBQRZWYQKB-UHFFFAOYSA-N 1 0 417.535 2.334 50 0 HEAARO Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)NCC[NH+]3CCCCC3)c2=O)cc1 ZINC000097938383 558824843 /nfs/dbraw/zinc/82/48/43/558824843.db2.gz CLHBMWLJDAGGRY-UHFFFAOYSA-N 1 0 410.518 2.320 50 0 HEAARO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]CCCN1CCOCC1 ZINC000019222708 558852150 /nfs/dbraw/zinc/85/21/50/558852150.db2.gz JIGJOOHMACDPPB-UHFFFAOYSA-N 1 0 421.545 2.418 50 0 HEAARO COc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000033032562 558856774 /nfs/dbraw/zinc/85/67/74/558856774.db2.gz WZBDLEBCUROBJF-UHFFFAOYSA-N 1 0 403.429 2.048 50 0 HEAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033205 558857590 /nfs/dbraw/zinc/85/75/90/558857590.db2.gz ROOIATCOJJEUSL-UHFFFAOYSA-N 1 0 416.547 2.216 50 0 HEAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000033034129 558858256 /nfs/dbraw/zinc/85/82/56/558858256.db2.gz SQFIEOCDMKPAQG-UHFFFAOYSA-N 1 0 422.938 2.300 50 0 HEAARO O[C@@H]1CN(Cc2cccn2-c2ccccn2)CC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000019301169 558866555 /nfs/dbraw/zinc/86/65/55/558866555.db2.gz WFTPXFLHKSNTPC-FGZHOGPDSA-N 1 0 418.545 2.025 50 0 HEAARO COCCCNc1nc2nonc2nc1N1CCC[N@H+](Cc2cccs2)CC1 ZINC000055036032 558870080 /nfs/dbraw/zinc/87/00/80/558870080.db2.gz WHJDVTXGQQJZEF-UHFFFAOYSA-N 1 0 403.512 2.235 50 0 HEAARO CC[NH+]1CCN(c2ccccc2NC(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000058129406 558900427 /nfs/dbraw/zinc/90/04/27/558900427.db2.gz ILVHMIDTEKCHKO-UHFFFAOYSA-N 1 0 424.549 2.382 50 0 HEAARO O=C(Nc1ccccc1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071523574 558904493 /nfs/dbraw/zinc/90/44/93/558904493.db2.gz UQDLMMBCKUWRBJ-SFHVURJKSA-N 1 0 400.523 2.254 50 0 HEAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cnc2n(c1=O)CCS2 ZINC000058191627 558910738 /nfs/dbraw/zinc/91/07/38/558910738.db2.gz BRZPYTPWBACBGQ-UHFFFAOYSA-N 1 0 402.545 2.459 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CN(CC(=O)N(C)C)C(=O)CCc1ccc(OC)c(OC)c1 ZINC000058196282 558910905 /nfs/dbraw/zinc/91/09/05/558910905.db2.gz WITSVCRLZOEQLY-GOSISDBHSA-N 1 0 405.539 2.038 50 0 HEAARO O=C(NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000058297347 558917305 /nfs/dbraw/zinc/91/73/05/558917305.db2.gz XWUFCHHOBGXQAD-CTNGQTDRSA-N 1 0 402.539 2.141 50 0 HEAARO COc1ccccc1N1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000058438423 558927125 /nfs/dbraw/zinc/92/71/25/558927125.db2.gz OCRRIJBMDVLULK-QGZVFWFLSA-N 1 0 408.502 2.439 50 0 HEAARO CC(C)CN(CC(C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(C)(=O)=O)c1 ZINC000096495055 558958784 /nfs/dbraw/zinc/95/87/84/558958784.db2.gz NYNJZPCHNAAPAK-UHFFFAOYSA-N 1 0 410.584 2.222 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000065361913 558972543 /nfs/dbraw/zinc/97/25/43/558972543.db2.gz ORRGODMTBXCXSL-UHFFFAOYSA-N 1 0 401.536 2.037 50 0 HEAARO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000065363868 558974995 /nfs/dbraw/zinc/97/49/95/558974995.db2.gz GJWUXMMCCONZTN-KRWDZBQOSA-N 1 0 416.547 2.232 50 0 HEAARO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1 ZINC000097164315 558998254 /nfs/dbraw/zinc/99/82/54/558998254.db2.gz CRRZLVCTTOYNLO-UFYCRDLUSA-N 1 0 402.587 2.004 50 0 HEAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3ccc(SC)cc3)CC2)OC1=O ZINC000077375782 559002646 /nfs/dbraw/zinc/00/26/46/559002646.db2.gz PDKUWRNKZZYDQM-UHFFFAOYSA-N 1 0 421.563 2.414 50 0 HEAARO CC(C)CC(=O)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036254998 559013060 /nfs/dbraw/zinc/01/30/60/559013060.db2.gz QAHBUPCGQWZPRQ-JOCHJYFZSA-N 1 0 406.615 2.338 50 0 HEAARO COc1ccc(OC)c(NC(=O)C(=O)NCC2CC[NH+](Cc3ccco3)CC2)c1 ZINC000023127461 559015884 /nfs/dbraw/zinc/01/58/84/559015884.db2.gz GCHNMIFTUUBMGW-UHFFFAOYSA-N 1 0 401.463 2.264 50 0 HEAARO CC[NH+](CC)[C@H](CNC(=O)CN(C)S(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000023197410 559032277 /nfs/dbraw/zinc/03/22/77/559032277.db2.gz KOFROQVESCTNJT-SFHVURJKSA-N 1 0 423.604 2.438 50 0 HEAARO O=C(NCCCn1cccn1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109931 559038972 /nfs/dbraw/zinc/03/89/72/559038972.db2.gz KBSWKSRBYTXGOK-OAQYLSRUSA-N 1 0 410.566 2.161 50 0 HEAARO Cc1nnc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082121932 559039660 /nfs/dbraw/zinc/03/96/60/559039660.db2.gz LVTBACKZUNXHRG-IBGZPJMESA-N 1 0 412.538 2.108 50 0 HEAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)no1 ZINC000082136789 559040294 /nfs/dbraw/zinc/04/02/94/559040294.db2.gz FJXRJQLYLCTTLS-FQEVSTJZSA-N 1 0 411.550 2.413 50 0 HEAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000082139167 559040643 /nfs/dbraw/zinc/04/06/43/559040643.db2.gz OOHDVQJPBAQPSU-LJQANCHMSA-N 1 0 409.534 2.085 50 0 HEAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082146866 559040853 /nfs/dbraw/zinc/04/08/53/559040853.db2.gz NTRPLVNCZXIBLB-FQEVSTJZSA-N 1 0 413.566 2.480 50 0 HEAARO COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000095512387 559084278 /nfs/dbraw/zinc/08/42/78/559084278.db2.gz OTWVUNSVYVLVIW-LJQANCHMSA-N 1 0 401.507 2.053 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000096210271 559101514 /nfs/dbraw/zinc/10/15/14/559101514.db2.gz PWCPKZYLYDEXEH-GOSISDBHSA-N 1 0 406.552 2.289 50 0 HEAARO Cc1ccc(CN(C)S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000097572150 559119344 /nfs/dbraw/zinc/11/93/44/559119344.db2.gz NHXDKACLMMVNKO-IBGZPJMESA-N 1 0 401.532 2.298 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000409413324 559250585 /nfs/dbraw/zinc/25/05/85/559250585.db2.gz HQCGVZQZOTWCIT-PCCBWWKXSA-N 1 0 415.582 2.433 50 0 HEAARO O[C@H](C[NH2+]C[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000001999441 559274344 /nfs/dbraw/zinc/27/43/44/559274344.db2.gz KOHIRBRYDXPAMZ-MTIDIVMFSA-N 1 0 405.441 2.364 50 0 fda HEAARO C[NH+](C)CCNC(=O)Cn1cnc2cc(NC(=O)c3ccc(Cl)nc3)ccc21 ZINC000061719222 559293476 /nfs/dbraw/zinc/29/34/76/559293476.db2.gz MEEOHUNNZLQEGK-UHFFFAOYSA-N 1 0 400.870 2.015 50 0 HEAARO COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003441300 560594792 /nfs/dbraw/zinc/59/47/92/560594792.db2.gz PAUQPGVURJJZTP-UHFFFAOYSA-N 1 0 409.552 2.261 50 0 HEAARO Cc1cn2c3c(nc2n1-c1ccccc1C)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000005705561 560802930 /nfs/dbraw/zinc/80/29/30/560802930.db2.gz VQODOTUIOASJQS-UHFFFAOYSA-N 1 0 420.517 2.241 50 0 HEAARO CCS(=O)(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000575316812 560855407 /nfs/dbraw/zinc/85/54/07/560855407.db2.gz HCYJPUIYDAMSDZ-FQEVSTJZSA-N 1 0 407.580 2.172 50 0 HEAARO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000106154021 560885014 /nfs/dbraw/zinc/88/50/14/560885014.db2.gz RXDCWVDKTHFECC-LMMKCTJWSA-N 1 0 423.579 2.041 50 0 HEAARO Cc1csc(NC(=O)C2CC[NH+]([C@H](C)C(=O)NC(=O)NC3CCCC3)CC2)n1 ZINC000047264172 560885475 /nfs/dbraw/zinc/88/54/75/560885475.db2.gz VHFGLWUYENLEHY-CYBMUJFWSA-N 1 0 407.540 2.259 50 0 HEAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265262 568433879 /nfs/dbraw/zinc/43/38/79/568433879.db2.gz SFQXDKSKLLVNDO-UZLBHIALSA-N 1 0 403.548 2.368 50 0 HEAARO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000048275664 568435443 /nfs/dbraw/zinc/43/54/43/568435443.db2.gz PKKLOVRVTFARJH-RDTXWAMCSA-N 1 0 407.561 2.280 50 0 HEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000048309893 568436562 /nfs/dbraw/zinc/43/65/62/568436562.db2.gz QNDZLZULGKAQFG-ROUUACIJSA-N 1 0 421.607 2.452 50 0 HEAARO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000020379688 568602459 /nfs/dbraw/zinc/60/24/59/568602459.db2.gz KQWCMWVHCFJFCN-OAQYLSRUSA-N 1 0 414.550 2.233 50 0 aggregator HEAARO Cc1nnc2ccc(C(=O)N3CCC[C@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cn12 ZINC000095393612 568604392 /nfs/dbraw/zinc/60/43/92/568604392.db2.gz IFIZWSALICRMQP-LJQANCHMSA-N 1 0 419.533 2.107 50 0 HEAARO CSCC[C@@H]1[NH2+][C@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020611650 568637649 /nfs/dbraw/zinc/63/76/49/568637649.db2.gz FRCWUYJLWKGFRZ-DVSDUFGPSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO Cc1ccccc1C(=O)N1CCN(c2nc(C[NH+]3CCC(C)CC3)cc(=O)[nH]2)CC1 ZINC000096280190 568671514 /nfs/dbraw/zinc/67/15/14/568671514.db2.gz GZPOHZZZKKMZLO-UHFFFAOYSA-N 1 0 409.534 2.273 50 0 HEAARO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971976 568671603 /nfs/dbraw/zinc/67/16/03/568671603.db2.gz XFBPMFNMJDXQEM-CQSZACIVSA-N 1 0 421.441 2.358 50 0 HEAARO CC1CC[NH+]([C@H](CNS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccs2)CC1 ZINC000229721493 568715191 /nfs/dbraw/zinc/71/51/91/568715191.db2.gz KDAZBDVCQPRDMJ-YESZJQIVSA-N 1 0 401.598 2.465 50 0 HEAARO COCCN1C(=O)C[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)[C@@H]1c1cnn(C)c1C ZINC000241515660 568731304 /nfs/dbraw/zinc/73/13/04/568731304.db2.gz OGTXIKBLBZMOFS-FXAWDEMLSA-N 1 0 414.554 2.142 50 0 HEAARO CCCC[NH+]1CCN(C(=O)[C@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398480 568747423 /nfs/dbraw/zinc/74/74/23/568747423.db2.gz IHGFSISDGXSUKK-KRWDZBQOSA-N 1 0 419.591 2.270 50 0 HEAARO O=C(NCCC[NH+]1CCCC1)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021933856 568762016 /nfs/dbraw/zinc/76/20/16/568762016.db2.gz YZGFJDNYYYFGFU-UHFFFAOYSA-N 1 0 413.497 2.284 50 0 HEAARO COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)cc1 ZINC000022579747 568770733 /nfs/dbraw/zinc/77/07/33/568770733.db2.gz XMJDRFWTOVLDCJ-FQEVSTJZSA-N 1 0 413.518 2.431 50 0 HEAARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)N1CC[NH+](C)CC1 ZINC000022582776 568770750 /nfs/dbraw/zinc/77/07/50/568770750.db2.gz HPDSIYNVLKOPEJ-HXUWFJFHSA-N 1 0 410.518 2.047 50 0 HEAARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582858 568770994 /nfs/dbraw/zinc/77/09/94/568770994.db2.gz OOJPWIUEDBXIRV-JOCHJYFZSA-N 1 0 424.545 2.437 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000225565713 568774128 /nfs/dbraw/zinc/77/41/28/568774128.db2.gz OFEYKCNBOAWZSA-UHFFFAOYSA-N 1 0 409.914 2.294 50 0 HEAARO OCC[N@H+](C[C@@H](O)Cn1ccc2ccccc21)C[C@H](O)Cn1ccc2ccccc21 ZINC000002707530 568801950 /nfs/dbraw/zinc/80/19/50/568801950.db2.gz FWGHSGUHZNFIPN-SZPZYZBQSA-N 1 0 407.514 2.312 50 0 HEAARO COC(=O)C1C(CN2CCC([NH+]3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000057414201 568833333 /nfs/dbraw/zinc/83/33/33/568833333.db2.gz RZXRWTRMWNYTDK-NRFANRHFSA-N 1 0 412.534 2.418 50 0 HEAARO COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c(OC)c1 ZINC000230207326 568854940 /nfs/dbraw/zinc/85/49/40/568854940.db2.gz ZRKBYTNENHBEQG-SCTDSRPQSA-N 1 0 415.534 2.437 50 0 biogenic HEAARO CNS(=O)(=O)c1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1Cl ZINC000012772038 568952233 /nfs/dbraw/zinc/95/22/33/568952233.db2.gz URXXOOMUECZFLP-MRXNPFEDSA-N 1 0 413.902 2.420 50 0 HEAARO Cc1ccc(C)c(C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CC(C)C)CC2)c1 ZINC000004316442 568962204 /nfs/dbraw/zinc/96/22/04/568962204.db2.gz UFHKMURMADVCBK-UHFFFAOYSA-N 1 0 424.549 2.018 50 0 HEAARO COc1ccc(-n2nnnc2SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000012801392 568979047 /nfs/dbraw/zinc/97/90/47/568979047.db2.gz AYHIEMSFCHHRPR-KRWDZBQOSA-N 1 0 424.530 2.154 50 0 HEAARO CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2C[NH+]2CCCC2)c1=O ZINC000008229565 568983372 /nfs/dbraw/zinc/98/33/72/568983372.db2.gz OEOQLODGGWRUCM-UHFFFAOYSA-N 1 0 420.513 2.095 50 0 HEAARO CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)c1 ZINC000015864128 569016301 /nfs/dbraw/zinc/01/63/01/569016301.db2.gz JOJQQUIRIXBZEZ-SFHVURJKSA-N 1 0 422.529 2.323 50 0 HEAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000012918912 569022749 /nfs/dbraw/zinc/02/27/49/569022749.db2.gz SNBWRKKWPXFCFN-UHFFFAOYSA-N 1 0 413.971 2.341 50 0 HEAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000015942431 569024217 /nfs/dbraw/zinc/02/42/17/569024217.db2.gz CTHZPDZPAJRODK-QGZVFWFLSA-N 1 0 401.598 2.433 50 0 HEAARO COC(=O)c1cn(-c2ccc([C@@H](O)C[NH+]3CCCCCC3)cc2)cc2c(=O)[nH]nc1-2 ZINC000253414162 569051447 /nfs/dbraw/zinc/05/14/47/569051447.db2.gz WQKSUBQRQPSCRY-IBGZPJMESA-N 1 0 410.474 2.361 50 0 HEAARO Nc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)c1 ZINC000215671980 569051911 /nfs/dbraw/zinc/05/19/11/569051911.db2.gz SOGBCPRENAOXIB-OAHLLOKOSA-N 1 0 421.238 2.295 50 0 HEAARO C[N@@H+]1CCN(Cc2c(C(=O)N3CCOCC3)nc3ccccn32)C[C@H]1c1ccccc1 ZINC000244882501 569055161 /nfs/dbraw/zinc/05/51/61/569055161.db2.gz XTCQJQBWQRCTFV-FQEVSTJZSA-N 1 0 419.529 2.295 50 0 HEAARO CN(C(=O)C[N@H+](C)CCCn1ccnc1)c1ccccc1C(=O)NCc1ccco1 ZINC000089346155 569058647 /nfs/dbraw/zinc/05/86/47/569058647.db2.gz PYRDRMHYCWQIGG-UHFFFAOYSA-N 1 0 409.490 2.391 50 0 HEAARO CCNc1nc(N2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)cc(C)[nH+]1 ZINC000064800702 569097437 /nfs/dbraw/zinc/09/74/37/569097437.db2.gz BVXXFFMPBJORFJ-UHFFFAOYSA-N 1 0 419.551 2.353 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)c(S(=O)(=O)N2CCC(C)CC2)c(C)n1C ZINC000064865851 569110765 /nfs/dbraw/zinc/11/07/65/569110765.db2.gz PSVVZNALDOLHHW-GOSISDBHSA-N 1 0 424.611 2.277 50 0 HEAARO C[C@H](C(=O)NCCC[NH+]1CCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061866 569165959 /nfs/dbraw/zinc/16/59/59/569165959.db2.gz UCLBXBNZIDOEPP-INIZCTEOSA-N 1 0 413.609 2.387 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062584 569166305 /nfs/dbraw/zinc/16/63/05/569166305.db2.gz KDWRLWCGMHEIIU-UHFFFAOYSA-N 1 0 401.536 2.257 50 0 HEAARO O=S(=O)(c1ccc(Cl)cc1)N1CCC2(CC1)NCC[NH+]=C2NC1CCCC1 ZINC000065074709 569169145 /nfs/dbraw/zinc/16/91/45/569169145.db2.gz AZMFFXFNPPVHJL-UHFFFAOYSA-N 1 0 410.971 2.397 50 0 biogenic HEAARO CCCN1C(=O)COc2cc(-c3noc(C(=O)NC[C@H]4CCC[N@@H+]4CC)n3)ccc21 ZINC000065138024 569183712 /nfs/dbraw/zinc/18/37/12/569183712.db2.gz LIKPIGLSIFGYFQ-OAHLLOKOSA-N 1 0 413.478 2.086 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)cn2)CC1 ZINC000065166768 569188792 /nfs/dbraw/zinc/18/87/92/569188792.db2.gz BPSLRPABESJEQV-UHFFFAOYSA-N 1 0 422.577 2.460 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)CC1 ZINC000065165326 569189542 /nfs/dbraw/zinc/18/95/42/569189542.db2.gz ZWFSHMMOTOHPTQ-UHFFFAOYSA-N 1 0 414.579 2.173 50 0 HEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCC[NH+]1CCCCC1)nc2N1CCSCC1 ZINC000065232078 569201324 /nfs/dbraw/zinc/20/13/24/569201324.db2.gz HWANQHAMMKYLKJ-UHFFFAOYSA-N 1 0 414.579 2.411 50 0 HEAARO O=C(NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C1(c2ccccc2)CCOCC1 ZINC000524730151 569211918 /nfs/dbraw/zinc/21/19/18/569211918.db2.gz XLXNNBKDEOSLNF-UXHICEINSA-N 1 0 421.541 2.132 50 0 HEAARO O=C(CCc1c[nH]c2ccccc12)NCC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524731809 569212433 /nfs/dbraw/zinc/21/24/33/569212433.db2.gz LDCYNOCGHQFGMR-MJGOQNOKSA-N 1 0 404.514 2.498 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1ccnn12 ZINC000065270908 569213444 /nfs/dbraw/zinc/21/34/44/569213444.db2.gz GOLIZPUIXSXKOD-UHFFFAOYSA-N 1 0 407.449 2.128 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274569 569215277 /nfs/dbraw/zinc/21/52/77/569215277.db2.gz HPTPQHLSHWTFIX-UHFFFAOYSA-N 1 0 406.534 2.462 50 0 HEAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065313989 569223087 /nfs/dbraw/zinc/22/30/87/569223087.db2.gz RTEDZBKHKUZBJL-OAQYLSRUSA-N 1 0 423.561 2.062 50 0 HEAARO CCOc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000007127198 569225402 /nfs/dbraw/zinc/22/54/02/569225402.db2.gz WWGXNQPKKUVCPF-ORAYPTAESA-N 1 0 422.489 2.387 50 0 HEAARO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000065499469 569232615 /nfs/dbraw/zinc/23/26/15/569232615.db2.gz DQPUICHZYFTAJX-SJORKVTESA-N 1 0 406.324 2.499 50 0 HEAARO O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000170591582 569240564 /nfs/dbraw/zinc/24/05/64/569240564.db2.gz BRAHLKWWJLLQKQ-CQSZACIVSA-N 1 0 415.291 2.481 50 0 HEAARO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599769 569242788 /nfs/dbraw/zinc/24/27/88/569242788.db2.gz YZNYCCKMSMJLHZ-ZWKOTPCHSA-N 1 0 424.586 2.273 50 0 HEAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCC[C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000089929977 569268940 /nfs/dbraw/zinc/26/89/40/569268940.db2.gz YIMABFFZIMMNCW-QFIPXVFZSA-N 1 0 400.523 2.303 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000017012465 569271558 /nfs/dbraw/zinc/27/15/58/569271558.db2.gz GCJOEJFOTNUSGA-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO Cc1cc(C)n(CCC(=O)N2C[C@H](c3nc(C4CC4)no3)C3(C2)CC[NH+](C)CC3)n1 ZINC000097086966 569279675 /nfs/dbraw/zinc/27/96/75/569279675.db2.gz QAYMMUQMORCESF-GOSISDBHSA-N 1 0 412.538 2.488 50 0 HEAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)Cc4cccnc4)CC3)C2)CC1 ZINC000581820114 569320916 /nfs/dbraw/zinc/32/09/16/569320916.db2.gz RNOWYRPDHCBDGD-QFIPXVFZSA-N 1 0 414.594 2.438 50 0 HEAARO C[NH+](C)CCNc1nc2nnnn2c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000002242147 569323625 /nfs/dbraw/zinc/32/36/25/569323625.db2.gz UOGGMJXOQMSYGO-UHFFFAOYSA-N 1 0 408.535 2.266 50 0 HEAARO Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000078718512 569419903 /nfs/dbraw/zinc/41/99/03/569419903.db2.gz JIQIPBRQXDTMET-SFHVURJKSA-N 1 0 421.567 2.085 50 0 HEAARO Cc1nc(N(C)C)cc(NCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[nH+]1 ZINC000038670701 571059999 /nfs/dbraw/zinc/05/99/99/571059999.db2.gz PMHZANMBNFFBTG-UHFFFAOYSA-N 1 0 419.429 2.140 50 0 HEAARO O=c1[nH]c2nc(N3CCC([NH+]4CCCCC4)CC3)ncc2c(=O)n1-c1cccc(F)c1 ZINC000067264287 571062197 /nfs/dbraw/zinc/06/21/97/571062197.db2.gz AEOOGVBEAJDZGK-UHFFFAOYSA-N 1 0 424.480 2.475 50 0 HEAARO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3Cc4cc(Cl)ccc4O3)cn2)CC1 ZINC000040121465 571177482 /nfs/dbraw/zinc/17/74/82/571177482.db2.gz YSAVBHMETHACGU-LJQANCHMSA-N 1 0 400.910 2.497 50 0 HEAARO CCC[NH+]1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 ZINC000040159483 571205354 /nfs/dbraw/zinc/20/53/54/571205354.db2.gz MCAQCQCSAKTMPS-UHFFFAOYSA-N 1 0 406.571 2.458 50 0 HEAARO CCNC(=O)N1CCOc2ccc(CCC(=O)NCC[NH+]3CCCCC3)cc2C1 ZINC000581800181 1078770614 /nfs/dbraw/zinc/77/06/14/1078770614.db2.gz QBYZFRJUDBKRQG-UHFFFAOYSA-N 1 0 402.539 2.145 50 0 HEAARO CCn1nccc1C(=O)N1CCC([N@@H+]2C[C@H](OCC3CC3)C23CCOCC3)CC1 ZINC000581802110 1078771710 /nfs/dbraw/zinc/77/17/10/1078771710.db2.gz FCGLEUSICDGYTH-FQEVSTJZSA-N 1 0 402.539 2.168 50 0 HEAARO COc1cccc(S(=O)(=O)N2CC(c3noc([C@@H]4CCC[N@@H+]4CC4CC4)n3)C2)c1 ZINC000575541424 1076333338 /nfs/dbraw/zinc/33/33/38/1076333338.db2.gz CMCQNYYBPFZXLZ-SFHVURJKSA-N 1 0 418.519 2.413 50 0 HEAARO CC[NH+](CC)CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1 ZINC000003665911 132268090 /nfs/dbraw/zinc/26/80/90/132268090.db2.gz KXJXXMWEQVIMGR-QFIPXVFZSA-N 1 0 412.490 2.350 50 0 HEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000004412471 132276442 /nfs/dbraw/zinc/27/64/42/132276442.db2.gz KNHUPUKTLRZXKB-UHFFFAOYSA-N 1 0 413.474 2.495 50 0 HEAARO C[NH+]1CCN(c2ccccc2NC(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000012558257 132363941 /nfs/dbraw/zinc/36/39/41/132363941.db2.gz PGSYJPDAYULGQY-UHFFFAOYSA-N 1 0 405.495 2.380 50 0 HEAARO CC[C@H]1CN(C(=O)c2ccc(N3CCC4(CC3)OCCO4)nc2)CC[N@@H+]1C(C)C ZINC000012752089 132366626 /nfs/dbraw/zinc/36/66/26/132366626.db2.gz MVIBFCPVSVVOMF-IBGZPJMESA-N 1 0 402.539 2.370 50 0 HEAARO CC(C)Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000045974241 519437078 /nfs/dbraw/zinc/43/70/78/519437078.db2.gz XUFWEDWBHBILEN-UHFFFAOYSA-N 1 0 407.580 2.250 50 0 HEAARO CC(=O)N1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000032915297 519534654 /nfs/dbraw/zinc/53/46/54/519534654.db2.gz MCUKHTCKKNMHIS-OAQYLSRUSA-N 1 0 400.567 2.272 50 0 HEAARO CCCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000045944448 520161965 /nfs/dbraw/zinc/16/19/65/520161965.db2.gz FKFRBYOFAWCGKC-UHFFFAOYSA-N 1 0 411.568 2.088 50 0 HEAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000032830675 521567301 /nfs/dbraw/zinc/56/73/01/521567301.db2.gz INQYBQIKAORRJZ-HOTGVXAUSA-N 1 0 417.579 2.445 50 0 HEAARO CCCn1c2ccccc2n(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1=O ZINC000032842882 521638467 /nfs/dbraw/zinc/63/84/67/521638467.db2.gz KUOJVQPCJWVGED-UHFFFAOYSA-N 1 0 414.550 2.364 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000020559407 521682990 /nfs/dbraw/zinc/68/29/90/521682990.db2.gz BIOVKDZXMQDWAV-UHFFFAOYSA-N 1 0 424.524 2.478 50 0 HEAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1ccccc1 ZINC000032516129 523915085 /nfs/dbraw/zinc/91/50/85/523915085.db2.gz NYHUGBKJXMDJAB-RXVVDRJESA-N 1 0 403.473 2.460 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccsc2)CC1 ZINC000022766274 523919358 /nfs/dbraw/zinc/91/93/58/523919358.db2.gz BQFGEAQPCQLXJU-QGZVFWFLSA-N 1 0 408.474 2.070 50 0 HEAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccs2)cc1 ZINC000045944141 524403333 /nfs/dbraw/zinc/40/33/33/524403333.db2.gz SVJMFJGBPUQRIV-UHFFFAOYSA-N 1 0 407.561 2.069 50 0 HEAARO Cc1cccn2c(C[N@H+](C)C[C@@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12 ZINC000020535720 525462175 /nfs/dbraw/zinc/46/21/75/525462175.db2.gz BZFMGSJOYUBNKT-HXUWFJFHSA-N 1 0 408.502 2.281 50 0 HEAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)c(C)c1 ZINC000045944687 525512018 /nfs/dbraw/zinc/51/20/18/525512018.db2.gz LKHPCABGJJBBNX-UHFFFAOYSA-N 1 0 407.580 2.449 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000032931761 525520398 /nfs/dbraw/zinc/52/03/98/525520398.db2.gz QHLWJFWZGGGMRU-PMACEKPBSA-N 1 0 405.564 2.139 50 0 HEAARO COc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@H](O)C(C)C)CC3)n2)cc1 ZINC000034678406 557366610 /nfs/dbraw/zinc/36/66/10/557366610.db2.gz LFXOKBBDXSMHGZ-IBGZPJMESA-N 1 0 402.495 2.070 50 0 HEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSc2nc3ccccc3o2)CC1 ZINC000004182718 557525865 /nfs/dbraw/zinc/52/58/65/557525865.db2.gz QHBZIVACVBGVSL-UHFFFAOYSA-N 1 0 402.520 2.252 50 0 HEAARO NC(=O)C1([NH+]2CCCCC2)CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000004741254 557590645 /nfs/dbraw/zinc/59/06/45/557590645.db2.gz LUVSFNLUUKKNRV-UHFFFAOYSA-N 1 0 423.355 2.193 50 0 HEAARO COc1cccc(C(=O)N2[C@@H](C(=O)NCC[NH+](C)C)COC23CCC(C)CC3)c1 ZINC000006833348 557726253 /nfs/dbraw/zinc/72/62/53/557726253.db2.gz BKWPBHOMICYFQN-COFLGROHSA-N 1 0 403.523 2.120 50 0 HEAARO CCc1ccc([C@@H](CNC(=O)Cn2c3ccccc3c(=O)n(CC)c2=O)[NH+](C)C)cc1 ZINC000022684322 557766813 /nfs/dbraw/zinc/76/68/13/557766813.db2.gz IFHGYIKAIIQNAO-OAQYLSRUSA-N 1 0 422.529 2.165 50 0 HEAARO COCCn1c(C)cc(O)c([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c1=O ZINC000022697630 557784223 /nfs/dbraw/zinc/78/42/23/557784223.db2.gz CALDGEUJFQPAGP-FQEVSTJZSA-N 1 0 405.926 2.499 50 0 HEAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1=O ZINC000022697670 557784315 /nfs/dbraw/zinc/78/43/15/557784315.db2.gz UYUIVWRHAWQPIZ-HXUWFJFHSA-N 1 0 405.926 2.499 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022767142 557815050 /nfs/dbraw/zinc/81/50/50/557815050.db2.gz NTWAGUNRFAOZJK-GOSISDBHSA-N 1 0 409.577 2.332 50 0 HEAARO CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CC[NH+](C)CC1 ZINC000022778572 557821473 /nfs/dbraw/zinc/82/14/73/557821473.db2.gz MDJZPSCFKGTYQN-JOCHJYFZSA-N 1 0 424.545 2.301 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc(F)cc2)CC1 ZINC000022795850 557822870 /nfs/dbraw/zinc/82/28/70/557822870.db2.gz HLQXYXOTOQAXAZ-HXUWFJFHSA-N 1 0 404.530 2.069 50 0 HEAARO COc1ccc(CN2CCOCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011844137 558288771 /nfs/dbraw/zinc/28/87/71/558288771.db2.gz RVUKNSGEPUNKMT-NRFANRHFSA-N 1 0 400.519 2.399 50 0 HEAARO Cc1nccn1CCNC(=O)C1CC[NH+](C2CCN(Cc3cccc(C)n3)CC2)CC1 ZINC000019853704 558296189 /nfs/dbraw/zinc/29/61/89/558296189.db2.gz MLAJNKCXDBVNJZ-UHFFFAOYSA-N 1 0 424.593 2.388 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2cnccn2)CC1 ZINC000011934911 558299218 /nfs/dbraw/zinc/29/92/18/558299218.db2.gz JPXPQTKRQXFCMT-FQEVSTJZSA-N 1 0 401.555 2.029 50 0 HEAARO O=C1C[C@@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019890257 558302955 /nfs/dbraw/zinc/30/29/55/558302955.db2.gz RCUVCDVVGNIPIR-OAHLLOKOSA-N 1 0 403.845 2.160 50 0 HEAARO CCOC(=O)N1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000012075069 558319391 /nfs/dbraw/zinc/31/93/91/558319391.db2.gz MKRPKRBDKUHBLF-HXUWFJFHSA-N 1 0 405.539 2.186 50 0 HEAARO O=S(=O)(c1ccccc1)N1CCC(O)(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000020366815 558358536 /nfs/dbraw/zinc/35/85/36/558358536.db2.gz BVWUSKGTLQRJNR-UHFFFAOYSA-N 1 0 415.559 2.024 50 0 HEAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)CC1 ZINC000020455189 558368901 /nfs/dbraw/zinc/36/89/01/558368901.db2.gz VGSKMYIOTHBTDF-KRWDZBQOSA-N 1 0 407.584 2.482 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(OC)c1 ZINC000020637136 558396440 /nfs/dbraw/zinc/39/64/40/558396440.db2.gz GVHHKAKNXSXCRW-WOJBJXKFSA-N 1 0 407.470 2.460 50 0 HEAARO COc1cc(CN2CC[N@@H+](C3CSCCSC3)C[C@@H]2CCO)cc(OC)c1 ZINC000020776383 558412223 /nfs/dbraw/zinc/41/22/23/558412223.db2.gz AUHLOHVEMCVZKT-KRWDZBQOSA-N 1 0 412.621 2.421 50 0 HEAARO CC(=O)NCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012473876 558422363 /nfs/dbraw/zinc/42/23/63/558422363.db2.gz MZDURWARPDQCMG-JOCHJYFZSA-N 1 0 401.551 2.351 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)o1 ZINC000020914342 558422406 /nfs/dbraw/zinc/42/24/06/558422406.db2.gz ADPXJWVHERMAOY-SFHVURJKSA-N 1 0 403.527 2.342 50 0 HEAARO COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020993718 558426662 /nfs/dbraw/zinc/42/66/62/558426662.db2.gz KUVYUNDUODTELR-FQEVSTJZSA-N 1 0 419.566 2.165 50 0 HEAARO CN(C(=O)c1cnc2ccccn2c1=O)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012584046 558433583 /nfs/dbraw/zinc/43/35/83/558433583.db2.gz XTWWKJJTZSSCEO-IBGZPJMESA-N 1 0 402.498 2.398 50 0 HEAARO O=C(CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000021534853 558440823 /nfs/dbraw/zinc/44/08/23/558440823.db2.gz WRVIYDYYKSYTAS-KRWDZBQOSA-N 1 0 413.440 2.149 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H](C)n1cncn1 ZINC000012707480 558450554 /nfs/dbraw/zinc/45/05/54/558450554.db2.gz SSHDAMTXEMLYAW-SFHVURJKSA-N 1 0 415.538 2.235 50 0 HEAARO CCOC(=O)CNC(=O)N(CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012758111 558460403 /nfs/dbraw/zinc/46/04/03/558460403.db2.gz RRKPNNWKBVAELC-GOSISDBHSA-N 1 0 417.550 2.087 50 0 HEAARO CC(C)[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC000012791303 558465824 /nfs/dbraw/zinc/46/58/24/558465824.db2.gz NYNXAFAYVKNNGQ-UHFFFAOYSA-N 1 0 411.543 2.215 50 0 HEAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000012993069 558497179 /nfs/dbraw/zinc/49/71/79/558497179.db2.gz SLGKSDDJNIAHOU-HXUWFJFHSA-N 1 0 410.518 2.235 50 0 HEAARO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000023240060 558544866 /nfs/dbraw/zinc/54/48/66/558544866.db2.gz HPYULEWSFNSJGW-RTWAWAEBSA-N 1 0 419.566 2.313 50 0 HEAARO CC(C)[NH+]1CCN([C@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1 ZINC000023340003 558550551 /nfs/dbraw/zinc/55/05/51/558550551.db2.gz STUDFYQKNSEBCQ-SFHVURJKSA-N 1 0 413.541 2.373 50 0 HEAARO COCCn1c(CN2CC[C@H]([NH+](C)C)C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000023373199 558553218 /nfs/dbraw/zinc/55/32/18/558553218.db2.gz PPSDLOMIQKUGRQ-KRWDZBQOSA-N 1 0 412.600 2.162 50 0 HEAARO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)C1 ZINC000004434583 558556791 /nfs/dbraw/zinc/55/67/91/558556791.db2.gz ZHLGRXDFLBUPOK-HXUWFJFHSA-N 1 0 409.596 2.465 50 0 HEAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013688453 558570965 /nfs/dbraw/zinc/57/09/65/558570965.db2.gz KOAYCSDBWMAIMH-UHFFFAOYSA-N 1 0 412.534 2.002 50 0 HEAARO O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023762276 558574694 /nfs/dbraw/zinc/57/46/94/558574694.db2.gz LNNRJJYRZAGVCV-UHFFFAOYSA-N 1 0 420.513 2.349 50 0 HEAARO C[C@@H](C1CC1)[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1 ZINC000024673392 558607224 /nfs/dbraw/zinc/60/72/24/558607224.db2.gz HLEVACHMTBNWDY-KRWDZBQOSA-N 1 0 415.559 2.293 50 0 HEAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1 ZINC000014199622 558635584 /nfs/dbraw/zinc/63/55/84/558635584.db2.gz HIXLBYNPYKJBEC-UHFFFAOYSA-N 1 0 405.520 2.114 50 0 HEAARO O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014242626 558645106 /nfs/dbraw/zinc/64/51/06/558645106.db2.gz NTNGZCSSNZKMEG-KRWDZBQOSA-N 1 0 402.524 2.179 50 0 HEAARO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cc3F)C[C@@H]12 ZINC000014538986 558659150 /nfs/dbraw/zinc/65/91/50/558659150.db2.gz OMKIHCCQFUNPMU-NDXORKPFSA-N 1 0 424.451 2.246 50 0 HEAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+]([C@@H]2CCSC2)CC3)cc1 ZINC000014731349 558665263 /nfs/dbraw/zinc/66/52/63/558665263.db2.gz ZSRNAVUVMXPEAK-QGZVFWFLSA-N 1 0 403.548 2.472 50 0 HEAARO C[C@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014732506 558665999 /nfs/dbraw/zinc/66/59/99/558665999.db2.gz CXQSCQXOSITFFV-LJQANCHMSA-N 1 0 422.529 2.304 50 0 HEAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C[C@@H]12 ZINC000014748964 558670204 /nfs/dbraw/zinc/67/02/04/558670204.db2.gz WHGSKVNZHFRTRY-UFYCRDLUSA-N 1 0 413.905 2.114 50 0 HEAARO CC(=O)NCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014968555 558686680 /nfs/dbraw/zinc/68/66/80/558686680.db2.gz PWGVYYFXROZCCB-FQEVSTJZSA-N 1 0 405.514 2.181 50 0 HEAARO COc1cccc(C[NH2+]Cc2ccc(OC[C@@H](O)CN3CCOCC3)c(OC)c2)c1 ZINC000014971837 558687573 /nfs/dbraw/zinc/68/75/73/558687573.db2.gz ZJOPFCFXKYNOTK-FQEVSTJZSA-N 1 0 416.518 2.066 50 0 HEAARO CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000014973306 558688244 /nfs/dbraw/zinc/68/82/44/558688244.db2.gz RPMSETUUXVDSDQ-IBGZPJMESA-N 1 0 400.567 2.145 50 0 HEAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1 ZINC000015023889 558703527 /nfs/dbraw/zinc/70/35/27/558703527.db2.gz CULQEVCYTRWTCE-QGZVFWFLSA-N 1 0 403.548 2.130 50 0 HEAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000015068719 558711233 /nfs/dbraw/zinc/71/12/33/558711233.db2.gz FLCAEJHSKQFNQX-HXUWFJFHSA-N 1 0 404.482 2.196 50 0 HEAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000015078782 558717790 /nfs/dbraw/zinc/71/77/90/558717790.db2.gz CPVIJWVOWBQKSC-FGZHOGPDSA-N 1 0 402.514 2.020 50 0 HEAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024871 558768836 /nfs/dbraw/zinc/76/88/36/558768836.db2.gz NTYZDXDWZHLFJP-UNKHORCTSA-N 1 0 403.482 2.286 50 0 HEAARO CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000072309988 558778677 /nfs/dbraw/zinc/77/86/77/558778677.db2.gz HQWIZGVPUPXJNQ-UHFFFAOYSA-N 1 0 421.485 2.126 50 0 HEAARO COC(=O)c1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1 ZINC000019229333 558853423 /nfs/dbraw/zinc/85/34/23/558853423.db2.gz OFNLNOXQYUKMIF-QFIPXVFZSA-N 1 0 403.567 2.215 50 0 HEAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033769 558857793 /nfs/dbraw/zinc/85/77/93/558857793.db2.gz MVWUQQUAQXIHAG-UHFFFAOYSA-N 1 0 416.547 2.344 50 0 HEAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1 ZINC000033034158 558858219 /nfs/dbraw/zinc/85/82/19/558858219.db2.gz GOEBNPUYSKGADD-UHFFFAOYSA-N 1 0 416.547 2.209 50 0 HEAARO CC[NH+]1CCN(CCOc2ccccc2-c2nc3cc(-n4cnnn4)ccc3[nH]2)CC1 ZINC000055072880 558871529 /nfs/dbraw/zinc/87/15/29/558871529.db2.gz MRXQQLQCNGGECP-UHFFFAOYSA-N 1 0 418.505 2.222 50 0 HEAARO CC(C)c1cncnc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071419127 558897731 /nfs/dbraw/zinc/89/77/31/558897731.db2.gz YXJGBGUDBXEJDY-GOSISDBHSA-N 1 0 401.555 2.140 50 0 HEAARO CC(C)c1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)ncn1 ZINC000071746809 558908326 /nfs/dbraw/zinc/90/83/26/558908326.db2.gz ARURAGIAXVBGKQ-GOSISDBHSA-N 1 0 401.555 2.140 50 0 HEAARO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1 ZINC000071755428 558909539 /nfs/dbraw/zinc/90/95/39/558909539.db2.gz VSTWAWABDFAOFW-IBGZPJMESA-N 1 0 404.599 2.044 50 0 HEAARO O=C(CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCC[NH+]1CCCC1 ZINC000033254687 558918633 /nfs/dbraw/zinc/91/86/33/558918633.db2.gz HTCWBBJHYLNRGX-UHFFFAOYSA-N 1 0 413.971 2.343 50 0 HEAARO COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000058438425 558927103 /nfs/dbraw/zinc/92/71/03/558927103.db2.gz OCRRIJBMDVLULK-KRWDZBQOSA-N 1 0 408.502 2.439 50 0 HEAARO Cc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799857 558965735 /nfs/dbraw/zinc/96/57/35/558965735.db2.gz PVSYFFLLOFRGJC-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO Cc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000065363409 558974335 /nfs/dbraw/zinc/97/43/35/558974335.db2.gz XALZUYJXLQQJKA-UHFFFAOYSA-N 1 0 401.532 2.401 50 0 HEAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cccc1N(C)S(C)(=O)=O ZINC000065364389 558975549 /nfs/dbraw/zinc/97/55/49/558975549.db2.gz GUEGSQHVOPBQJJ-UHFFFAOYSA-N 1 0 416.547 2.395 50 0 HEAARO CSc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000072436847 558980301 /nfs/dbraw/zinc/98/03/01/558980301.db2.gz DQXOUQALTHEDRG-UHFFFAOYSA-N 1 0 411.593 2.020 50 0 HEAARO COc1ccc(-c2noc(CC[N@@H+]3CCCN(c4ncccn4)CC3)n2)cc1OC ZINC000072404996 558982741 /nfs/dbraw/zinc/98/27/41/558982741.db2.gz KDRHOVJOUSCIGI-UHFFFAOYSA-N 1 0 410.478 2.299 50 0 HEAARO O=C(c1csc2nc(-c3ccccc3F)cn12)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000067674453 558991170 /nfs/dbraw/zinc/99/11/70/558991170.db2.gz CZNQDMAXTRDYOH-WMZOPIPTSA-N 1 0 400.479 2.483 50 0 HEAARO O=C(CCCc1cn[nH]c1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000067920663 558994764 /nfs/dbraw/zinc/99/47/64/558994764.db2.gz WIPBRWYJVSTMCU-IBGZPJMESA-N 1 0 401.555 2.058 50 0 HEAARO CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082091462 559036980 /nfs/dbraw/zinc/03/69/80/559036980.db2.gz WXFQOBCPIBALEP-OAQYLSRUSA-N 1 0 410.566 2.150 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC000082108098 559038652 /nfs/dbraw/zinc/03/86/52/559038652.db2.gz WSNOKGMXJOHZOG-SFHVURJKSA-N 1 0 420.561 2.358 50 0 HEAARO Cc1noc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082127016 559039821 /nfs/dbraw/zinc/03/98/21/559039821.db2.gz ARWHPZQYNRAWQT-LJQANCHMSA-N 1 0 412.538 2.108 50 0 HEAARO Nc1ncccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127940 559040006 /nfs/dbraw/zinc/04/00/06/559040006.db2.gz NPBHMGSHCVXJMA-IBGZPJMESA-N 1 0 408.550 2.052 50 0 HEAARO Nc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082138733 559040611 /nfs/dbraw/zinc/04/06/11/559040611.db2.gz RHOBSWREDQLQER-LJQANCHMSA-N 1 0 408.550 2.099 50 0 HEAARO Cc1ocnc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082157298 559041506 /nfs/dbraw/zinc/04/15/06/559041506.db2.gz YGKXKPFQTAXFBS-QGZVFWFLSA-N 1 0 411.506 2.011 50 0 HEAARO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@@H+](Cc3cccc(OCCO)c3)C[C@@H]2C1 ZINC000095362558 559080122 /nfs/dbraw/zinc/08/01/22/559080122.db2.gz SNJNRENHFPWZAG-NFBKMPQASA-N 1 0 402.535 2.033 50 0 HEAARO Cc1ccc(N2CCC([N@@H+]3CC[C@@]4(O)CCN(C(=O)N(C)C)C[C@H]4C3)CC2)cc1 ZINC000095370260 559080228 /nfs/dbraw/zinc/08/02/28/559080228.db2.gz MROKCWHYFRZZFX-AUSIDOKSSA-N 1 0 400.567 2.404 50 0 HEAARO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC1CCN(C(C)=O)CC1 ZINC000095525148 559085954 /nfs/dbraw/zinc/08/59/54/559085954.db2.gz UOAXLXRLAHGLEX-MSOLQXFVSA-N 1 0 401.507 2.051 50 0 HEAARO Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2=O ZINC000023736692 559179570 /nfs/dbraw/zinc/17/95/70/559179570.db2.gz NCKBBDVPLLNLRE-UHFFFAOYSA-N 1 0 413.518 2.132 50 0 HEAARO CCCCS(=O)(=O)NCC(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000252477408 559277297 /nfs/dbraw/zinc/27/72/97/559277297.db2.gz NHBHQBAHBKXYAB-WGMWDUQUSA-N 1 0 409.596 2.321 50 0 HEAARO CCn1nc(C)c(CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)c1C ZINC000101703796 560798531 /nfs/dbraw/zinc/79/85/31/560798531.db2.gz SUEVGAYQVUVBTE-UHFFFAOYSA-N 1 0 407.518 2.050 50 0 HEAARO Cc1csc(NC(=O)CSc2nc(=O)n(CCC[NH+](C)C)c3c2CCC3)n1 ZINC000004851798 560877285 /nfs/dbraw/zinc/87/72/85/560877285.db2.gz UWOWFCHCVKKPPZ-UHFFFAOYSA-N 1 0 407.565 2.179 50 0 HEAARO COc1cccc(C[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n2nnnc2C)c1 ZINC000048291036 568435326 /nfs/dbraw/zinc/43/53/26/568435326.db2.gz PRLNSIINHHTVHG-OXJNMPFZSA-N 1 0 400.527 2.155 50 0 HEAARO COc1cccc(C[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n2nnnc2C)c1 ZINC000048291035 568435358 /nfs/dbraw/zinc/43/53/58/568435358.db2.gz PRLNSIINHHTVHG-JXFKEZNVSA-N 1 0 400.527 2.155 50 0 HEAARO C[N@@H+]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000048275140 568435495 /nfs/dbraw/zinc/43/54/95/568435495.db2.gz RWOIPWIMOSOKBV-KRWDZBQOSA-N 1 0 407.580 2.159 50 0 HEAARO COCCn1nc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)ccc1=O ZINC000048310387 568436691 /nfs/dbraw/zinc/43/66/91/568436691.db2.gz LJLPUPDRWIFLGK-QZTJIDSGSA-N 1 0 412.534 2.298 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020214266 568594606 /nfs/dbraw/zinc/59/46/06/568594606.db2.gz KNRVBYUXFRNVLV-YWZLYKJASA-N 1 0 418.513 2.413 50 0 HEAARO Cc1cc2c(cc1S(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1)OCC(=O)N2 ZINC000020491757 568614776 /nfs/dbraw/zinc/61/47/76/568614776.db2.gz YJPVLPNGMVDGNL-UHFFFAOYSA-N 1 0 403.504 2.126 50 0 HEAARO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000095463201 568621716 /nfs/dbraw/zinc/62/17/16/568621716.db2.gz YXGUQOYTOFEZDC-ZDUSSCGKSA-N 1 0 408.296 2.409 50 0 HEAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000020610961 568637100 /nfs/dbraw/zinc/63/71/00/568637100.db2.gz CWCVBOZHIWSQNV-KGYLXKDPSA-N 1 0 405.454 2.276 50 0 biogenic HEAARO CSCC[C@@H]1[NH2+][C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020610858 568637117 /nfs/dbraw/zinc/63/71/17/568637117.db2.gz HGEBMVUMLBLGLT-SUWCGCSTSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO Cc1c(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cccc1OCC(F)(F)F ZINC000225487982 568642304 /nfs/dbraw/zinc/64/23/04/568642304.db2.gz DPLQGXVDGADXGG-UHFFFAOYSA-N 1 0 413.400 2.271 50 0 HEAARO C[N@H+](CCCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)C1CCCCC1 ZINC000020984954 568655133 /nfs/dbraw/zinc/65/51/33/568655133.db2.gz ICLYOGJWZILMRF-UHFFFAOYSA-N 1 0 410.565 2.431 50 0 HEAARO Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCC[NH+](C)C)c2ccccc21 ZINC000021533117 568711634 /nfs/dbraw/zinc/71/16/34/568711634.db2.gz KWVDRPQSLFKGRS-UHFFFAOYSA-N 1 0 422.533 2.237 50 0 HEAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000240668477 568730230 /nfs/dbraw/zinc/73/02/30/568730230.db2.gz HNBOYYXZZOXPIQ-UAGQMJEPSA-N 1 0 423.355 2.367 50 0 HEAARO Cn1cc([C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)[NH+](C)C)c2ccccc21 ZINC000021698460 568741235 /nfs/dbraw/zinc/74/12/35/568741235.db2.gz AOMAHCRGXXZZBW-LJQANCHMSA-N 1 0 422.485 2.307 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000096385825 568742137 /nfs/dbraw/zinc/74/21/37/568742137.db2.gz HCXILHICNSGJFA-MRXNPFEDSA-N 1 0 411.481 2.317 50 0 HEAARO O=C(NCC[NH+]1CCCC1)c1csc(N2CCN(c3ccccc3F)CC2)n1 ZINC000096386414 568742864 /nfs/dbraw/zinc/74/28/64/568742864.db2.gz RSVQNQQRJWQGII-UHFFFAOYSA-N 1 0 403.527 2.434 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C ZINC000021763082 568752306 /nfs/dbraw/zinc/75/23/06/568752306.db2.gz MVBDNLAQBSUFEO-QGZVFWFLSA-N 1 0 409.577 2.452 50 0 HEAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000056884924 568820931 /nfs/dbraw/zinc/82/09/31/568820931.db2.gz ZCRWNOLIMCKBTA-LJQANCHMSA-N 1 0 400.502 2.358 50 0 HEAARO CCCCCn1c(N2CC[NH+](Cc3ccccc3C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952417 568822150 /nfs/dbraw/zinc/82/21/50/568822150.db2.gz XBRZBHSKQFBMKF-UHFFFAOYSA-N 1 0 424.549 2.244 50 0 HEAARO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000057415898 568834098 /nfs/dbraw/zinc/83/40/98/568834098.db2.gz OQBXNSNJVMQZQE-LJQANCHMSA-N 1 0 418.563 2.479 50 0 HEAARO CCc1cnc(C)nc1NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299764364 568873574 /nfs/dbraw/zinc/87/35/74/568873574.db2.gz UWSPHGBTFPMXRJ-FQEVSTJZSA-N 1 0 401.555 2.109 50 0 HEAARO COc1cccc(SCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c1 ZINC000670443806 568906831 /nfs/dbraw/zinc/90/68/31/568906831.db2.gz YMNPFQPAYWRELT-IMBKEICKSA-N 1 0 423.582 2.471 50 0 HEAARO Cc1nc2ccc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)cc2o1 ZINC000670445974 568909368 /nfs/dbraw/zinc/90/93/68/568909368.db2.gz WMTLCGKCZJWBFR-NBTXJNEHSA-N 1 0 402.498 2.434 50 0 HEAARO Cc1cc(I)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000003605764 568919454 /nfs/dbraw/zinc/91/94/54/568919454.db2.gz XBAUOAPLYBUVQC-UHFFFAOYSA-N 1 0 415.260 2.285 50 0 HEAARO CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000004083652 568939462 /nfs/dbraw/zinc/93/94/62/568939462.db2.gz CQEDCMIROCSRND-JXFKEZNVSA-N 1 0 416.566 2.304 50 0 biogenic HEAARO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000004111064 568944124 /nfs/dbraw/zinc/94/41/24/568944124.db2.gz OAPPNHMWUVMCKE-NRFANRHFSA-N 1 0 421.607 2.119 50 0 HEAARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000078870157 568957822 /nfs/dbraw/zinc/95/78/22/568957822.db2.gz ZQNMPBDFERNXIM-RYUDHWBXSA-N 1 0 402.358 2.381 50 0 HEAARO O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1 ZINC000015672350 568962570 /nfs/dbraw/zinc/96/25/70/568962570.db2.gz AOXUFMZTBVWWAH-MRXNPFEDSA-N 1 0 420.583 2.016 50 0 HEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008037746 568969900 /nfs/dbraw/zinc/96/99/00/568969900.db2.gz JZAIFYAPDRWYGF-HXUWFJFHSA-N 1 0 413.543 2.475 50 0 HEAARO NC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](CCc3cccs3)CC2)cs1 ZINC000015731448 568981814 /nfs/dbraw/zinc/98/18/14/568981814.db2.gz XZUPLAJDEXQQNX-UHFFFAOYSA-N 1 0 413.590 2.142 50 0 HEAARO COc1ccccc1[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)[NH+]1CCCC1 ZINC000006084808 568997087 /nfs/dbraw/zinc/99/70/87/568997087.db2.gz JHKBGYPXTMVNPC-VQTJNVASSA-N 1 0 410.518 2.228 50 0 HEAARO O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000015772584 568998650 /nfs/dbraw/zinc/99/86/50/568998650.db2.gz NGJLIULNCAPBNT-UHFFFAOYSA-N 1 0 420.517 2.035 50 0 HEAARO Cc1ccc2nc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)c(F)n2c1 ZINC000670471171 569001616 /nfs/dbraw/zinc/00/16/16/569001616.db2.gz AMPWCGKOCQAXAZ-LBVATQBMSA-N 1 0 419.504 2.079 50 0 HEAARO C[NH+]1CCC(N2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)CC1 ZINC000104314749 569008193 /nfs/dbraw/zinc/00/81/93/569008193.db2.gz MBOUDOXMGOPCSL-OAQYLSRUSA-N 1 0 411.550 2.232 50 0 HEAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000015956638 569024554 /nfs/dbraw/zinc/02/45/54/569024554.db2.gz ZDADBIPRYSLBQP-SUWCGCSTSA-N 1 0 407.495 2.365 50 0 biogenic HEAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423300 569036363 /nfs/dbraw/zinc/03/63/63/569036363.db2.gz JCUSCILIIBUTIP-UHFFFAOYSA-N 1 0 407.474 2.362 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4)C3)nn2)CC1 ZINC000033261539 569059457 /nfs/dbraw/zinc/05/94/57/569059457.db2.gz CKBCUENIPHEMIY-FQEVSTJZSA-N 1 0 408.550 2.151 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000035991525 569074596 /nfs/dbraw/zinc/07/45/96/569074596.db2.gz JFECVGFEUKDZFY-LJQANCHMSA-N 1 0 420.941 2.491 50 0 HEAARO CCn1c(C[N@@H+]2CCCC[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908101 569178752 /nfs/dbraw/zinc/17/87/52/569178752.db2.gz VZPYKDJDRPSVBJ-MRXNPFEDSA-N 1 0 406.552 2.452 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)cn1C ZINC000007007098 569199899 /nfs/dbraw/zinc/19/98/99/569199899.db2.gz UXDJCFIEMLQJID-UHFFFAOYSA-N 1 0 409.508 2.128 50 0 HEAARO COc1cc(C[N@H+](C)C[C@@H](O)CN2CCOCC2)ccc1OCc1ccccc1 ZINC000013128345 569211347 /nfs/dbraw/zinc/21/13/47/569211347.db2.gz NRFKIBHWXYNZBB-OAQYLSRUSA-N 1 0 400.519 2.399 50 0 HEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000524732197 569212551 /nfs/dbraw/zinc/21/25/51/569212551.db2.gz HFEUUKNMDASJHA-YQVWRLOYSA-N 1 0 413.518 2.191 50 0 HEAARO C[NH+]1CCC(N2CCN(C(=O)c3cn4ccnc(-c5ccccc5)c4n3)CC2)CC1 ZINC000065274374 569215118 /nfs/dbraw/zinc/21/51/18/569215118.db2.gz SDMAAHMDUOQSAM-UHFFFAOYSA-N 1 0 404.518 2.248 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1 ZINC000065274532 569215272 /nfs/dbraw/zinc/21/52/72/569215272.db2.gz ZAGKQFLHJAMZSX-UHFFFAOYSA-N 1 0 410.497 2.293 50 0 HEAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O[C@@H](C)C(=O)N(C)C ZINC000007127213 569225406 /nfs/dbraw/zinc/22/54/06/569225406.db2.gz WWGXNQPKKUVCPF-DJJJIMSYSA-N 1 0 422.489 2.387 50 0 HEAARO CN(CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000036883724 569231525 /nfs/dbraw/zinc/23/15/25/569231525.db2.gz BUXLGLVGBALSKF-HXUWFJFHSA-N 1 0 419.522 2.400 50 0 HEAARO CC(=[NH2+])Nc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000526052645 569239900 /nfs/dbraw/zinc/23/99/00/569239900.db2.gz QXKVLLUPDUXPPS-HNNXBMFYSA-N 1 0 409.494 2.349 50 0 HEAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520399 569260265 /nfs/dbraw/zinc/26/02/65/569260265.db2.gz ZZXVTAOFUCETEJ-FQEVSTJZSA-N 1 0 413.497 2.366 50 0 HEAARO C[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520326 569260275 /nfs/dbraw/zinc/26/02/75/569260275.db2.gz WUSRXOKZXQJUFM-CQSZACIVSA-N 1 0 401.898 2.244 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000170676607 569297952 /nfs/dbraw/zinc/29/79/52/569297952.db2.gz UMSWQBBIUCAKMD-BBRMVZONSA-N 1 0 421.485 2.206 50 0 HEAARO Cc1cs/c(=N\C(=O)c2ccco2)n1Cc1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000037437738 569299345 /nfs/dbraw/zinc/29/93/45/569299345.db2.gz OIEYJSGQRMTORN-VZCXRCSSSA-N 1 0 402.476 2.125 50 0 HEAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788208 569310455 /nfs/dbraw/zinc/31/04/55/569310455.db2.gz SHJCDYJTNZJFGC-HZPDHXFCSA-N 1 0 413.971 2.151 50 0 HEAARO CSCC[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000018203282 569387794 /nfs/dbraw/zinc/38/77/94/569387794.db2.gz KRMINIISJISQMD-VWXURSGXSA-N 1 0 417.506 2.242 50 0 HEAARO Cn1c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2oc1=O ZINC000002440190 569400252 /nfs/dbraw/zinc/40/02/52/569400252.db2.gz YJGLJCKFGWIIPL-UHFFFAOYSA-N 1 0 401.488 2.074 50 0 HEAARO Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[nH+]1 ZINC000038670736 571059980 /nfs/dbraw/zinc/05/99/80/571059980.db2.gz WOVXPZGRLGDAPH-UHFFFAOYSA-N 1 0 419.429 2.140 50 0 HEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3nnc(COc4ccccc4)n3)CC2)cc1 ZINC000040086998 571157583 /nfs/dbraw/zinc/15/75/83/571157583.db2.gz MDJCVPLUHXNZNL-UHFFFAOYSA-N 1 0 420.517 2.295 50 0 HEAARO NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000040105285 571166001 /nfs/dbraw/zinc/16/60/01/571166001.db2.gz WOVUGVMEWOOSAG-UHFFFAOYSA-N 1 0 407.561 2.354 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000040152875 571200649 /nfs/dbraw/zinc/20/06/49/571200649.db2.gz YADLCPGEDYBKGZ-SFHVURJKSA-N 1 0 417.535 2.247 50 0 HEAARO Cc1cccc(N2CCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1C ZINC000009157006 571231921 /nfs/dbraw/zinc/23/19/21/571231921.db2.gz RPUOQKMFEPYCIO-UHFFFAOYSA-N 1 0 422.533 2.151 50 0 HEAARO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O ZINC000009516905 571265153 /nfs/dbraw/zinc/26/51/53/571265153.db2.gz SWQIJHWYGPRNJP-LAUBAEHRSA-N 1 0 418.925 2.314 50 0 HEAARO O=C(CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCC[NH+]1CCCC1 ZINC000581774427 1078748399 /nfs/dbraw/zinc/74/83/99/1078748399.db2.gz UUPXYWSDGPNTKD-QGZVFWFLSA-N 1 0 411.543 2.219 50 0 HEAARO C[NH+]1CCC(N2CCN(Cc3cnn(-c4cccc(Cl)c4)c3)C[C@@H]2CCO)CC1 ZINC000200564379 1080778179 /nfs/dbraw/zinc/77/81/79/1080778179.db2.gz XIJFJVARGXOYGJ-QFIPXVFZSA-N 1 0 417.985 2.489 50 0 HEAARO CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000004299530 132274482 /nfs/dbraw/zinc/27/44/82/132274482.db2.gz GKUYUHNWUPCTPR-MOPGFXCFSA-N 1 0 419.522 2.215 50 0 HEAARO O=S(=O)(c1cccs1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698056 132350189 /nfs/dbraw/zinc/35/01/89/132350189.db2.gz JEPCBFOTBOHGRV-UHFFFAOYSA-N 1 0 402.505 2.188 50 0 HEAARO Cc1nonc1C[NH2+]C1CCN(c2ccc(C(=O)NCc3cccnc3)cc2)CC1 ZINC000012151750 132355271 /nfs/dbraw/zinc/35/52/71/132355271.db2.gz FKQJEZJSDXLEPY-UHFFFAOYSA-N 1 0 406.490 2.462 50 0 HEAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000019772141 523612955 /nfs/dbraw/zinc/61/29/55/523612955.db2.gz HQQBQJNUNMXBCG-MRXNPFEDSA-N 1 0 406.596 2.234 50 0 HEAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766187 523821424 /nfs/dbraw/zinc/82/14/24/523821424.db2.gz DDCMAPQZVZKXLH-GOSISDBHSA-N 1 0 416.547 2.109 50 0 HEAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C1Cc2ccccc2C1 ZINC000032509041 523914927 /nfs/dbraw/zinc/91/49/27/523914927.db2.gz YJEIHJAAMNDEMK-GGAORHGYSA-N 1 0 411.521 2.288 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000022766164 523919391 /nfs/dbraw/zinc/91/93/91/523919391.db2.gz ARGCNPZIXLTORD-GOSISDBHSA-N 1 0 420.966 2.123 50 0 HEAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000032930731 524096467 /nfs/dbraw/zinc/09/64/67/524096467.db2.gz RCVLKBVDVNZVMF-KRWDZBQOSA-N 1 0 405.502 2.340 50 0 HEAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccs2)c1 ZINC000045945563 524381370 /nfs/dbraw/zinc/38/13/70/524381370.db2.gz MZDMYOTUKKRMLR-UHFFFAOYSA-N 1 0 407.561 2.069 50 0 HEAARO Cc1ccccc1C(=O)Nc1nc(C(=O)NCCCN2CC[NH+](C)CC2)cs1 ZINC000040355403 525066031 /nfs/dbraw/zinc/06/60/31/525066031.db2.gz ULAZVLZPMHBEFA-UHFFFAOYSA-N 1 0 401.536 2.071 50 0 HEAARO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000032776752 526482408 /nfs/dbraw/zinc/48/24/08/526482408.db2.gz HGORAGRXJBUDDI-UHFFFAOYSA-N 1 0 421.545 2.471 50 0 HEAARO O=C(NC[C@@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000041642731 526484992 /nfs/dbraw/zinc/48/49/92/526484992.db2.gz DQSXZJMRWBONIF-CYBMUJFWSA-N 1 0 419.469 2.243 50 0 HEAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NC1CCCCC1 ZINC000044894017 527415787 /nfs/dbraw/zinc/41/57/87/527415787.db2.gz NCZKHNUCFFAUFS-UHFFFAOYSA-N 1 0 409.534 2.014 50 0 HEAARO O=C(NCCC[NH+]1CCCC1)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000040355746 527661654 /nfs/dbraw/zinc/66/16/54/527661654.db2.gz KDKGHMKKSXSIMS-UHFFFAOYSA-N 1 0 402.476 2.340 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000009340429 535501895 /nfs/dbraw/zinc/50/18/95/535501895.db2.gz TXRKAMCNDJYMPL-PMACEKPBSA-N 1 0 424.476 2.354 50 0 HEAARO CCOC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000000787383 557080756 /nfs/dbraw/zinc/08/07/56/557080756.db2.gz RGCLMSHSTOWZPE-UHFFFAOYSA-N 1 0 418.563 2.366 50 0 HEAARO Cc1cccc(Cn2c(SCC[NH+]3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000004136486 557518776 /nfs/dbraw/zinc/51/87/76/557518776.db2.gz KWBJXRJLUHQAJP-UHFFFAOYSA-N 1 0 413.547 2.358 50 0 HEAARO C[NH+](C)CCCNS(=O)(=O)c1cc(Br)ccc1Br ZINC000005156558 557638313 /nfs/dbraw/zinc/63/83/13/557638313.db2.gz DEKPICLZLYSXBU-UHFFFAOYSA-N 1 0 400.136 2.442 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2F)c2ccc(F)cc2)CC1 ZINC000022778655 557821465 /nfs/dbraw/zinc/82/14/65/557821465.db2.gz YXCJAFSRPFLWBA-IBGZPJMESA-N 1 0 402.445 2.008 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022796062 557822888 /nfs/dbraw/zinc/82/28/88/557822888.db2.gz DLKMJDFIELHLJT-LJQANCHMSA-N 1 0 402.445 2.008 50 0 HEAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022918069 558260986 /nfs/dbraw/zinc/26/09/86/558260986.db2.gz CVFZWMCEVLGKNQ-OAQYLSRUSA-N 1 0 400.519 2.399 50 0 HEAARO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000019770524 558279473 /nfs/dbraw/zinc/27/94/73/558279473.db2.gz QBZWKHMTLHYQKV-UHFFFAOYSA-N 1 0 421.904 2.303 50 0 HEAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc(OC)c(C)c3OC)CC2)O1 ZINC000011882465 558295585 /nfs/dbraw/zinc/29/55/85/558295585.db2.gz JICRJDMHGXLGHC-GOSISDBHSA-N 1 0 406.523 2.288 50 0 HEAARO CC(C)C[C@@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000012154961 558339884 /nfs/dbraw/zinc/33/98/84/558339884.db2.gz NGGKGPYUWQDKNK-GOSISDBHSA-N 1 0 418.586 2.008 50 0 HEAARO CC[C@@H](C)C(=O)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012302542 558372323 /nfs/dbraw/zinc/37/23/23/558372323.db2.gz BYXBIOJCJOTNLD-QGZVFWFLSA-N 1 0 417.550 2.305 50 0 HEAARO CCS(=O)(=O)c1ncc(CN(C)C[C@@H]2CCC[N@@H+]2C)n1CCc1ccccc1 ZINC000020784302 558413388 /nfs/dbraw/zinc/41/33/88/558413388.db2.gz QLGGTUSEOCKGRS-IBGZPJMESA-N 1 0 404.580 2.445 50 0 HEAARO CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC(=O)N2)CC1 ZINC000021122890 558431439 /nfs/dbraw/zinc/43/14/39/558431439.db2.gz CGIAPHYIDRJREW-HXUWFJFHSA-N 1 0 421.501 2.299 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000013574004 558543091 /nfs/dbraw/zinc/54/30/91/558543091.db2.gz HLDAZIGKCCKODR-OPKBTAHXSA-N 1 0 403.482 2.448 50 0 HEAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000023375487 558555037 /nfs/dbraw/zinc/55/50/37/558555037.db2.gz JIAMZRYDJDPEOE-KRWDZBQOSA-N 1 0 405.495 2.162 50 0 HEAARO Cn1c(NCCCCCC[NH3+])nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C ZINC000013757205 558590589 /nfs/dbraw/zinc/59/05/89/558590589.db2.gz UBHOUDFFJAQFNK-UHFFFAOYSA-N 1 0 418.929 2.066 50 0 HEAARO CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000014244378 558645749 /nfs/dbraw/zinc/64/57/49/558645749.db2.gz XAYCFFDUXCSICG-UHFFFAOYSA-N 1 0 407.580 2.468 50 0 HEAARO COc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014249713 558649567 /nfs/dbraw/zinc/64/95/67/558649567.db2.gz SRSMXSGNZIZJCG-QGZVFWFLSA-N 1 0 424.530 2.154 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1cccc(OC)c1)C2 ZINC000014536336 558658216 /nfs/dbraw/zinc/65/82/16/558658216.db2.gz ULLFDGPBHBRKRQ-SFHVURJKSA-N 1 0 412.534 2.074 50 0 HEAARO CC(C)C[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014541751 558660411 /nfs/dbraw/zinc/66/04/11/558660411.db2.gz PYIVTNWMIWFXDR-VQTJNVASSA-N 1 0 418.607 2.291 50 0 HEAARO COc1cccc([C@H](CNC(=O)c2ccc(N3CCOCC3)nc2)[NH+]2CCCC2)c1 ZINC000027342911 558672223 /nfs/dbraw/zinc/67/22/23/558672223.db2.gz STOBZEWSXXZLGV-NRFANRHFSA-N 1 0 410.518 2.494 50 0 HEAARO O=C(Cn1cc(Br)ccc1=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027937411 558684972 /nfs/dbraw/zinc/68/49/72/558684972.db2.gz ZMJZVYRBSMOKEI-UHFFFAOYSA-N 1 0 418.335 2.434 50 0 HEAARO O=S(=O)(Cc1ccc(F)cc1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000029231612 558712084 /nfs/dbraw/zinc/71/20/84/558712084.db2.gz XTKSIORWVLWDKQ-UHFFFAOYSA-N 1 0 405.539 2.453 50 0 HEAARO O=C(C[NH2+]CCCn1ccnc1)c1nc(Cn2c3ccccc3nc2C(F)F)no1 ZINC000015081326 558718950 /nfs/dbraw/zinc/71/89/50/558718950.db2.gz GNTZMLPEKICRTD-UHFFFAOYSA-N 1 0 415.404 2.464 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671294 558748448 /nfs/dbraw/zinc/74/84/48/558748448.db2.gz VVRJVHVMZNDHJZ-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022220 558768146 /nfs/dbraw/zinc/76/81/46/558768146.db2.gz SXVOGORCJGPMFL-ZPDOKQEQSA-N 1 0 409.873 2.323 50 0 HEAARO COC(=O)CN1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000072311975 558798237 /nfs/dbraw/zinc/79/82/37/558798237.db2.gz XSOJFZFUOJVVIO-UHFFFAOYSA-N 1 0 416.291 2.098 50 0 HEAARO O=C(CSCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCC[NH+]1CCCC1 ZINC000032987179 558807092 /nfs/dbraw/zinc/80/70/92/558807092.db2.gz AJGIJMWBHHPDFL-UHFFFAOYSA-N 1 0 423.539 2.375 50 0 HEAARO O=C(c1nc2ccccn2c1CN1CCC([NH+]2CCCCC2)CC1)N1CCOCC1 ZINC000019229368 558853350 /nfs/dbraw/zinc/85/33/50/558853350.db2.gz DYNYQXYQZHXNTF-UHFFFAOYSA-N 1 0 411.550 2.257 50 0 HEAARO CC[C@H](C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033033945 558858146 /nfs/dbraw/zinc/85/81/46/558858146.db2.gz MSQVAVQUIFBYOL-INIZCTEOSA-N 1 0 416.547 2.425 50 0 HEAARO CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3cccn3-c3ncccn3)CC2)CC1 ZINC000019300351 558866301 /nfs/dbraw/zinc/86/63/01/558866301.db2.gz RFTMLIKKDHROOT-UHFFFAOYSA-N 1 0 410.566 2.468 50 0 HEAARO CCc1cnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)nc1 ZINC000071747543 558908619 /nfs/dbraw/zinc/90/86/19/558908619.db2.gz DYZVPRMXXCBQSW-FQEVSTJZSA-N 1 0 408.550 2.431 50 0 HEAARO C[C@@H]1CN(C(=O)c2nc3sccn3c2CN2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000019537068 558913953 /nfs/dbraw/zinc/91/39/53/558913953.db2.gz VESBVKFBNCOIQK-IYBDPMFKSA-N 1 0 417.579 2.173 50 0 HEAARO O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072163059 558930193 /nfs/dbraw/zinc/93/01/93/558930193.db2.gz IURQZGPDEGLFJE-INIZCTEOSA-N 1 0 423.439 2.149 50 0 HEAARO O=C(C[C@H]1C(=O)NCC[N@H+]1CC(c1ccccc1)c1ccccc1)N1CCCOCC1 ZINC000072161426 558930223 /nfs/dbraw/zinc/93/02/23/558930223.db2.gz CXIBCBYXSFYUEJ-QHCPKHFHSA-N 1 0 421.541 2.258 50 0 HEAARO C[C@H]1C[N@H+](C)CCCN1C(=O)c1cc(-c2cnn(CCO)c2)nc2ccc(F)cc21 ZINC000063871046 558960593 /nfs/dbraw/zinc/96/05/93/558960593.db2.gz GNFFAJZYQXPKGG-HNNXBMFYSA-N 1 0 411.481 2.396 50 0 HEAARO Cc1ccnc(N2CCC(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)CC2)n1 ZINC000065001757 558968640 /nfs/dbraw/zinc/96/86/40/558968640.db2.gz MDBBIGLCNMDNHK-UHFFFAOYSA-N 1 0 422.577 2.330 50 0 HEAARO C[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000065364639 558975741 /nfs/dbraw/zinc/97/57/41/558975741.db2.gz OEQSSPHEEJRLOQ-LBPRGKRZSA-N 1 0 407.458 2.070 50 0 HEAARO CNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2cc3n(n2)CCC[NH2+]C3)s1 ZINC000072434212 558979831 /nfs/dbraw/zinc/97/98/31/558979831.db2.gz GQOPCOAXGUBNDW-INIZCTEOSA-N 1 0 401.536 2.094 50 0 HEAARO CC[NH+]1CCN(CCN2CC3(CCN(Cc4cc(F)cc(F)c4)CC3)OC2=O)CC1 ZINC000072462950 558983150 /nfs/dbraw/zinc/98/31/50/558983150.db2.gz LWRNCJDRUWXWCI-UHFFFAOYSA-N 1 0 422.520 2.389 50 0 HEAARO Cc1noc(C)c1CN1CC[NH+](CCC(=O)Nc2ccc(Cn3cncn3)cc2)CC1 ZINC000072405461 558983849 /nfs/dbraw/zinc/98/38/49/558983849.db2.gz GQQZPRRDJZFAJM-UHFFFAOYSA-N 1 0 423.521 2.078 50 0 HEAARO C[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000067612638 558988996 /nfs/dbraw/zinc/98/89/96/558988996.db2.gz TUNZPSFTQZCWFL-NSHDSACASA-N 1 0 408.351 2.358 50 0 HEAARO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](Cc1cnn(C)c1)C(N)=O ZINC000097139563 558996740 /nfs/dbraw/zinc/99/67/40/558996740.db2.gz QITJCDXIIJWWHG-OCCSQVGLSA-N 1 0 411.428 2.090 50 0 HEAARO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](Cc1cnn(C)c1)C(N)=O ZINC000097139559 558996759 /nfs/dbraw/zinc/99/67/59/558996759.db2.gz QITJCDXIIJWWHG-JSGCOSHPSA-N 1 0 411.428 2.090 50 0 HEAARO CCCCCC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H]([NH+](C)C)C3)cc2C1 ZINC000077339465 559001790 /nfs/dbraw/zinc/00/17/90/559001790.db2.gz JQHHWVDBFJQJRV-IBGZPJMESA-N 1 0 407.580 2.476 50 0 HEAARO CCCCC(=O)N1CCC2(CN(CCCN3CC[NH+](C(C)C)CC3)C(=O)O2)CC1 ZINC000077419576 559004474 /nfs/dbraw/zinc/00/44/74/559004474.db2.gz LLPDLMWRXQCSHK-UHFFFAOYSA-N 1 0 408.587 2.406 50 0 HEAARO O=C(NCc1cnc2ccccc2c1)c1ccc(C[NH+]2CCC(CO)CC2)[nH]c1=O ZINC000077485601 559006919 /nfs/dbraw/zinc/00/69/19/559006919.db2.gz JYQCMOXGWYGQTB-UHFFFAOYSA-N 1 0 406.486 2.057 50 0 HEAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(c3nc(CO)cs3)CC2)C1 ZINC000082091901 559037203 /nfs/dbraw/zinc/03/72/03/559037203.db2.gz MYBZRLWUEUKCPX-QGZVFWFLSA-N 1 0 415.563 2.028 50 0 HEAARO CCn1ccnc1CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082107298 559038491 /nfs/dbraw/zinc/03/84/91/559038491.db2.gz PJKWHUABGMTGGW-FQEVSTJZSA-N 1 0 410.566 2.291 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)no1 ZINC000082146211 559040820 /nfs/dbraw/zinc/04/08/20/559040820.db2.gz SZLOLKFRUHGTHE-KRWDZBQOSA-N 1 0 411.506 2.011 50 0 HEAARO CCN(CC)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082161871 559041866 /nfs/dbraw/zinc/04/18/66/559041866.db2.gz FGUSDXIQJLTLJB-GOSISDBHSA-N 1 0 401.555 2.336 50 0 HEAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)ccc2c1=O ZINC000004791754 559065527 /nfs/dbraw/zinc/06/55/27/559065527.db2.gz FHTGUCTVOSDWFN-MRXNPFEDSA-N 1 0 400.523 2.484 50 0 HEAARO COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2[nH]nc(-c3ccccc3)c2C)C1 ZINC000091849139 559074109 /nfs/dbraw/zinc/07/41/09/559074109.db2.gz JFXJQMXFMVUFFS-MSOLQXFVSA-N 1 0 400.523 2.034 50 0 HEAARO COCc1cccc(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)n1 ZINC000095354595 559079679 /nfs/dbraw/zinc/07/96/79/559079679.db2.gz NATRZZKIJAQRGW-UHFFFAOYSA-N 1 0 402.539 2.025 50 0 HEAARO COCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000037555558 559254938 /nfs/dbraw/zinc/25/49/38/559254938.db2.gz JSKDXFDQZUKPTH-UHFFFAOYSA-N 1 0 401.482 2.226 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000248239644 559269155 /nfs/dbraw/zinc/26/91/55/559269155.db2.gz NVVBORDBMCXQLB-XAPZRWQFSA-N 1 0 405.495 2.098 50 0 HEAARO CCOC(=O)[C@@H]1[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506598 559277918 /nfs/dbraw/zinc/27/79/18/559277918.db2.gz WBKXAKZXEATMAC-KSZLIROESA-N 1 0 423.554 2.308 50 0 HEAARO COc1ccccc1NC(=O)CSc1nc(=O)n(CC[NH+](C)C)c2c1CCCC2 ZINC000005254401 560551986 /nfs/dbraw/zinc/55/19/86/560551986.db2.gz RCHZBEXUVKTENI-UHFFFAOYSA-N 1 0 416.547 2.423 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000409415194 560723481 /nfs/dbraw/zinc/72/34/81/560723481.db2.gz WKZMPKKUEWVKAY-UFYCRDLUSA-N 1 0 412.534 2.220 50 0 HEAARO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@H]3C[NH+](C)C)c2)C[C@H](C)O1 ZINC000106154024 560884966 /nfs/dbraw/zinc/88/49/66/560884966.db2.gz RXDCWVDKTHFECC-SCTDSRPQSA-N 1 0 423.579 2.041 50 0 HEAARO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697269 568415496 /nfs/dbraw/zinc/41/54/96/568415496.db2.gz KYTLAVDPTNLVTJ-OAQYLSRUSA-N 1 0 417.575 2.303 50 0 HEAARO CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000020116240 568589469 /nfs/dbraw/zinc/58/94/69/568589469.db2.gz REERNORVGPIFBR-MAHYXTOZSA-N 1 0 408.631 2.487 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)CCCN2C(=O)COc3ccc(C)cc32)CC1 ZINC000020413258 568605681 /nfs/dbraw/zinc/60/56/81/568605681.db2.gz CMOXZSRWBXFOTE-UHFFFAOYSA-N 1 0 416.566 2.035 50 0 HEAARO COc1ccccc1[C@H](CNC(=O)[C@@H]1COCCN1CC(F)F)[NH+]1CCCCC1 ZINC000225392688 568633761 /nfs/dbraw/zinc/63/37/61/568633761.db2.gz NMTCCWXTCKUENO-ROUUACIJSA-N 1 0 411.493 2.304 50 0 HEAARO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000095482558 568634666 /nfs/dbraw/zinc/63/46/66/568634666.db2.gz BOPLXHNMFPXHAA-AWEZNQCLSA-N 1 0 401.960 2.343 50 0 HEAARO O=S(=O)(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000095972956 568671982 /nfs/dbraw/zinc/67/19/82/568671982.db2.gz XCXUIZRCIGPAOO-JKSUJKDBSA-N 1 0 403.342 2.105 50 0 HEAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccc(C)c2)c1 ZINC000021534439 568711503 /nfs/dbraw/zinc/71/15/03/568711503.db2.gz DJLAYAIJJXJQGO-UHFFFAOYSA-N 1 0 415.559 2.316 50 0 HEAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000021534227 568711681 /nfs/dbraw/zinc/71/16/81/568711681.db2.gz HEYDMCFDQVTYDY-UHFFFAOYSA-N 1 0 415.559 2.316 50 0 HEAARO Cc1ccc(-c2cc3c4nnc(CCC(=O)NCC[NH+](C)C)n4ccn3n2)cc1C ZINC000096322345 568730227 /nfs/dbraw/zinc/73/02/27/568730227.db2.gz NGSIHLIJXXIPKQ-UHFFFAOYSA-N 1 0 405.506 2.271 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCCN32)CC1 ZINC000021938355 568762908 /nfs/dbraw/zinc/76/29/08/568762908.db2.gz QLYAJQMIIBACEA-NRFANRHFSA-N 1 0 413.566 2.145 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022582901 568771037 /nfs/dbraw/zinc/77/10/37/568771037.db2.gz LOYNHUJRJWPOHC-DENIHFKCSA-N 1 0 408.546 2.277 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000299754487 568782201 /nfs/dbraw/zinc/78/22/01/568782201.db2.gz XKICDWOBYLFPDY-HKUYNNGSSA-N 1 0 422.533 2.157 50 0 biogenic HEAARO CC[NH+](CC)Cc1ccccc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000055869262 568784266 /nfs/dbraw/zinc/78/42/66/568784266.db2.gz JFNNGKRQCSRFET-UHFFFAOYSA-N 1 0 401.511 2.226 50 0 HEAARO C[NH+](C)CCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1ccccc1F ZINC000003038545 568845934 /nfs/dbraw/zinc/84/59/34/568845934.db2.gz JGHCAEKDSBKKIJ-UHFFFAOYSA-N 1 0 402.539 2.380 50 0 HEAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000299764008 568873602 /nfs/dbraw/zinc/87/36/02/568873602.db2.gz IVGVPFPCWHXZRL-OAQYLSRUSA-N 1 0 418.465 2.182 50 0 HEAARO O=C1CO[C@H](CNc2cnc3ccccc3n2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299765632 568873764 /nfs/dbraw/zinc/87/37/64/568873764.db2.gz IOGBGIUJMHVWCN-LJQANCHMSA-N 1 0 409.534 2.391 50 0 HEAARO Cc1nn(C)cc1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299769433 568874196 /nfs/dbraw/zinc/87/41/96/568874196.db2.gz XLKZWCYRTZPKOJ-OAQYLSRUSA-N 1 0 416.497 2.138 50 0 HEAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1cccc(Cl)c1 ZINC000299771259 568874385 /nfs/dbraw/zinc/87/43/85/568874385.db2.gz UYTUMHFKDWANKB-LJQANCHMSA-N 1 0 405.926 2.314 50 0 HEAARO O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCn2cccn2)CC1 ZINC000299775359 568874616 /nfs/dbraw/zinc/87/46/16/568874616.db2.gz BNPMPSRFMHFHKH-NRFANRHFSA-N 1 0 416.497 2.183 50 0 HEAARO C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)n1cnc2ccccc21 ZINC000083888529 568922954 /nfs/dbraw/zinc/92/29/54/568922954.db2.gz BAPXQZCYOSQUOJ-GOSISDBHSA-N 1 0 411.550 2.438 50 0 HEAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(C(F)(F)F)nc1 ZINC000670460181 568948947 /nfs/dbraw/zinc/94/89/47/568948947.db2.gz YQNHDCIEVNPXSS-IPFXWSOASA-N 1 0 416.447 2.398 50 0 HEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008231028 568983886 /nfs/dbraw/zinc/98/38/86/568983886.db2.gz KWYRSJZFRLDLJD-GOSISDBHSA-N 1 0 403.504 2.386 50 0 HEAARO COc1ccc([C@@H](CNC(=O)Cn2c(=O)cnc3ccccc32)[NH+]2CCCC2)cc1 ZINC000008325903 568991538 /nfs/dbraw/zinc/99/15/38/568991538.db2.gz VNBMTZJRVFAOBY-OAQYLSRUSA-N 1 0 406.486 2.358 50 0 HEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]1 ZINC000015824969 569011346 /nfs/dbraw/zinc/01/13/46/569011346.db2.gz BVSYXNMVERWFOK-UHFFFAOYSA-N 1 0 419.485 2.454 50 0 HEAARO CC(=O)Nc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)c1 ZINC000015864129 569016360 /nfs/dbraw/zinc/01/63/60/569016360.db2.gz JOJQQUIRIXBZEZ-GOSISDBHSA-N 1 0 422.529 2.323 50 0 HEAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000015864286 569016414 /nfs/dbraw/zinc/01/64/14/569016414.db2.gz URMMXRMWJWSBBD-UHFFFAOYSA-N 1 0 419.522 2.011 50 0 HEAARO CSCC[C@H]1[NH2+][C@@]2(c3cccc(C)c3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015958920 569024774 /nfs/dbraw/zinc/02/47/74/569024774.db2.gz FRCWUYJLWKGFRZ-FSNCLGKMSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO C[C@@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459753 569038122 /nfs/dbraw/zinc/03/81/22/569038122.db2.gz UCAWJXSEHNOEHS-MRXNPFEDSA-N 1 0 413.609 2.387 50 0 HEAARO O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000229332472 569040431 /nfs/dbraw/zinc/04/04/31/569040431.db2.gz LPOSHOOILPGRAI-WMZOPIPTSA-N 1 0 420.510 2.233 50 0 HEAARO O[C@@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022077473 569042543 /nfs/dbraw/zinc/04/25/43/569042543.db2.gz LZJPRBUYHCLOCZ-WOJBJXKFSA-N 1 0 402.466 2.165 50 0 HEAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000256030298 569058772 /nfs/dbraw/zinc/05/87/72/569058772.db2.gz MBJBKUXSMZSKEY-UHFFFAOYSA-N 1 0 409.346 2.477 50 0 HEAARO C[NH+]1CCN(c2ccccc2NC(=O)Nc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000089382808 569058873 /nfs/dbraw/zinc/05/88/73/569058873.db2.gz FLXIECZFYTUFIA-UHFFFAOYSA-N 1 0 403.508 2.454 50 0 HEAARO CC[C@H](C)C(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255092 569120270 /nfs/dbraw/zinc/12/02/70/569120270.db2.gz YJHXPKRMZUVULB-FPOVZHCZSA-N 1 0 406.615 2.338 50 0 HEAARO CCn1c2c(C(=O)N3CCC(Cc4ccccc4)CC3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966213 569137473 /nfs/dbraw/zinc/13/74/73/569137473.db2.gz DAQJHIMLLMKPKT-UHFFFAOYSA-N 1 0 419.529 2.257 50 0 HEAARO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)[C@@H](C)C2)c1 ZINC000169752855 569160253 /nfs/dbraw/zinc/16/02/53/569160253.db2.gz ISCVRDHTWLPHEP-KRWDZBQOSA-N 1 0 421.505 2.166 50 0 HEAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCCN(c3cnn(Cc4ccccc4)c(=O)c3)C2)CC1 ZINC000065314068 569223082 /nfs/dbraw/zinc/22/30/82/569223082.db2.gz YGAVUFQCBKBCJZ-NRFANRHFSA-N 1 0 423.561 2.061 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000017050795 569272531 /nfs/dbraw/zinc/27/25/31/569272531.db2.gz INUSYSSQLKBCTE-UHFFFAOYSA-N 1 0 401.536 2.205 50 0 HEAARO Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007586145 569283279 /nfs/dbraw/zinc/28/32/79/569283279.db2.gz YFOMMJBEKCHYEV-SFHVURJKSA-N 1 0 408.531 2.454 50 0 HEAARO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000170676689 569297936 /nfs/dbraw/zinc/29/79/36/569297936.db2.gz JHNBCHIJLARUIG-CYBMUJFWSA-N 1 0 402.322 2.466 50 0 HEAARO CC(=O)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)Cc4cccc(F)c4)CC3)C2)CC1 ZINC000581819803 569320683 /nfs/dbraw/zinc/32/06/83/569320683.db2.gz LYKGXEMVTFAPQO-OAQYLSRUSA-N 1 0 417.525 2.073 50 0 HEAARO COc1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000253381082 569364843 /nfs/dbraw/zinc/36/48/43/569364843.db2.gz CPLYWWPWWQYOHJ-QUSFXHMUSA-N 1 0 415.877 2.494 50 0 HEAARO COc1ccccc1CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000253411764 569366526 /nfs/dbraw/zinc/36/65/26/569366526.db2.gz PBRRZFJFLCPANT-PCCBWWKXSA-N 1 0 413.562 2.467 50 0 biogenic HEAARO CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)cc1 ZINC000013375869 569412999 /nfs/dbraw/zinc/41/29/99/569412999.db2.gz DDLGLIPUMBKRIQ-OALUTQOASA-N 1 0 415.577 2.337 50 0 HEAARO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(OCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972791 569422598 /nfs/dbraw/zinc/42/25/98/569422598.db2.gz FNXBHKZKWSKYRN-QZTJIDSGSA-N 1 0 407.530 2.205 50 0 HEAARO C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1=O ZINC000079190898 569429338 /nfs/dbraw/zinc/42/93/38/569429338.db2.gz WDAYFDBHKRSCJO-NRYAXDJKSA-N 1 0 411.546 2.474 50 0 biogenic HEAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)NCc1ccc(F)cc1 ZINC000008769224 571116308 /nfs/dbraw/zinc/11/63/08/571116308.db2.gz NDAQSVRPUKNCEU-UHFFFAOYSA-N 1 0 424.476 2.029 50 0 HEAARO Cc1cc(C)cc(N2CCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)c1 ZINC000008778528 571118569 /nfs/dbraw/zinc/11/85/69/571118569.db2.gz IHLANVOBHXLWBS-UHFFFAOYSA-N 1 0 422.533 2.151 50 0 HEAARO CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008848172 571126045 /nfs/dbraw/zinc/12/60/45/571126045.db2.gz QWQFMTYSOZQCCE-UHFFFAOYSA-N 1 0 415.559 2.304 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@H](NC(=O)c2ccccc2Cl)C(C)C)CC1 ZINC000040089507 571159486 /nfs/dbraw/zinc/15/94/86/571159486.db2.gz NIIBLWOZKMYJSZ-LJQANCHMSA-N 1 0 408.974 2.238 50 0 HEAARO CC[C@@]1(C)NC(=O)N(NC(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)C1=O ZINC000040149545 571196924 /nfs/dbraw/zinc/19/69/24/571196924.db2.gz ZBKWMCJITHATCM-QGZVFWFLSA-N 1 0 411.300 2.026 50 0 HEAARO CC1(C)CC(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccccc5)C(=O)[C@@H]24)O3)CC(C)(C)[NH2+]1 ZINC000009304343 571246421 /nfs/dbraw/zinc/24/64/21/571246421.db2.gz RYLNOWROVHKMPB-ZVVFGRKBSA-N 1 0 409.530 2.398 50 0 HEAARO NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000009387688 571254224 /nfs/dbraw/zinc/25/42/24/571254224.db2.gz YUWCJHAZQCSQFD-UHFFFAOYSA-N 1 0 401.532 2.292 50 0 HEAARO C[C@@H]1CCC[N@H+](CCNC(=O)CN2CCCc3nc(-c4ccccc4)ncc3C2=O)C1 ZINC000581787403 1078760691 /nfs/dbraw/zinc/76/06/91/1078760691.db2.gz HBYKGYKULWONCT-GOSISDBHSA-N 1 0 421.545 2.380 50 0 HEAARO CC(C)[NH+]1CCN(C(=O)CN2CCCc3nc(-c4ccccc4)ncc3C2=O)CC1 ZINC000581787390 1078760901 /nfs/dbraw/zinc/76/09/01/1078760901.db2.gz FMRBJYBEMQQVHM-UHFFFAOYSA-N 1 0 407.518 2.085 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCCC(=O)N2Cc2ccccc2)CC1 ZINC000581785967 1078765630 /nfs/dbraw/zinc/76/56/30/1078765630.db2.gz SRYIJAUNSYTTEG-OAQYLSRUSA-N 1 0 400.567 2.102 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)CCc2nc([C@H]3CCCN3C(=O)NC(C)C)no2)CC1 ZINC000581786694 1078766636 /nfs/dbraw/zinc/76/66/36/1078766636.db2.gz ZCIIFIKYCXOZJN-QGZVFWFLSA-N 1 0 420.558 2.057 50 0 HEAARO COCC(=O)N[C@@H]1C[N@H+](Cc2cn(C(C)C)c3ccc(OC)cc23)CC[C@@H]1CO ZINC000581798860 1078769507 /nfs/dbraw/zinc/76/95/07/1078769507.db2.gz ABEGGHGNEFFFJD-OXQOHEQNSA-N 1 0 403.523 2.176 50 0 HEAARO CC(C)NC(=O)N1CCOc2ccc(CCC(=O)N3CC[NH+](C(C)C)CC3)cc2C1 ZINC000581800811 1078771174 /nfs/dbraw/zinc/77/11/74/1078771174.db2.gz ZUIPIIDOVXMJDG-UHFFFAOYSA-N 1 0 416.566 2.484 50 0 HEAARO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000008004430 132326861 /nfs/dbraw/zinc/32/68/61/132326861.db2.gz OLMGKUJVBBWJSK-UHFFFAOYSA-N 1 0 407.518 2.081 50 0 HEAARO CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+]CCCc3cccnc3)CC2)cc1 ZINC000012152329 132355382 /nfs/dbraw/zinc/35/53/82/132355382.db2.gz LUPFUAASCBXYMG-UHFFFAOYSA-N 1 0 417.579 2.491 50 0 HEAARO O[C@@H](COc1ccccc1CN1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1 ZINC000012575299 132364508 /nfs/dbraw/zinc/36/45/08/132364508.db2.gz CCBFXHAYSPSUJF-OAQYLSRUSA-N 1 0 411.550 2.024 50 0 HEAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000045944576 524579535 /nfs/dbraw/zinc/57/95/35/524579535.db2.gz PUUOLZOHSQYWBC-IBGZPJMESA-N 1 0 415.559 2.303 50 0 HEAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000077104303 526300484 /nfs/dbraw/zinc/30/04/84/526300484.db2.gz CTADDBMWFNKDGQ-UHFFFAOYSA-N 1 0 415.515 2.089 50 0 HEAARO O=C1N(Cc2cccc(F)c2F)CCC[C@]1(O)CN1CC[NH+](CC2CCC2)CC1 ZINC000020536712 527037961 /nfs/dbraw/zinc/03/79/61/527037961.db2.gz ZISYHVVTJHORAG-QFIPXVFZSA-N 1 0 407.505 2.236 50 0 HEAARO C[NH+](C)CCn1c2c(c(SCC(=O)N3CCCc4ccccc43)nc1=O)CCC2 ZINC000004851688 535933654 /nfs/dbraw/zinc/93/36/54/535933654.db2.gz QKNMIWNFEIJDMB-UHFFFAOYSA-N 1 0 412.559 2.365 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000005324136 557644888 /nfs/dbraw/zinc/64/48/88/557644888.db2.gz RDDRKCQHGBWEBR-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CC[NH+](C)CC1 ZINC000022778567 557821478 /nfs/dbraw/zinc/82/14/78/557821478.db2.gz MDJZPSCFKGTYQN-QFIPXVFZSA-N 1 0 424.545 2.301 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccc(F)cc2)CC1 ZINC000022795842 557822803 /nfs/dbraw/zinc/82/28/03/557822803.db2.gz HLQXYXOTOQAXAZ-FQEVSTJZSA-N 1 0 404.530 2.069 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022796195 557822972 /nfs/dbraw/zinc/82/29/72/557822972.db2.gz ATVJZMBLZWFWSH-OAQYLSRUSA-N 1 0 412.509 2.486 50 0 HEAARO C[N@@H+]1CCCN(c2cnn(Cc3nc(-c4ccccc4Cl)no3)c(=O)c2)CC1 ZINC000019720594 558258899 /nfs/dbraw/zinc/25/88/99/558258899.db2.gz MKJHSNQXQHWUFO-UHFFFAOYSA-N 1 0 400.870 2.137 50 0 HEAARO O[C@@H](COc1cccc(CN2CC[NH+](C3CCCCC3)CC2)c1)CN1CCOCC1 ZINC000019794878 558283911 /nfs/dbraw/zinc/28/39/11/558283911.db2.gz GTYCTEJGJYXXNQ-HSZRJFAPSA-N 1 0 417.594 2.209 50 0 HEAARO COc1ccc(CN2CCOCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000011844138 558288795 /nfs/dbraw/zinc/28/87/95/558288795.db2.gz RVUKNSGEPUNKMT-OAQYLSRUSA-N 1 0 400.519 2.399 50 0 HEAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000011844621 558289323 /nfs/dbraw/zinc/28/93/23/558289323.db2.gz NRTZWTDYCKGLGW-IBGZPJMESA-N 1 0 410.555 2.363 50 0 HEAARO COc1cc(C[NH2+]CCc2cccs2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000011873059 558290854 /nfs/dbraw/zinc/29/08/54/558290854.db2.gz PTGAMMDZJBIMND-SFHVURJKSA-N 1 0 406.548 2.161 50 0 HEAARO CCc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019831146 558291483 /nfs/dbraw/zinc/29/14/83/558291483.db2.gz MBBSMWLJZQMQAR-UHFFFAOYSA-N 1 0 408.546 2.430 50 0 HEAARO C[C@H](NC(=O)COc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000011882004 558295553 /nfs/dbraw/zinc/29/55/53/558295553.db2.gz MZTUUUQFQXUXBI-KRWDZBQOSA-N 1 0 421.501 2.298 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](C/C=C/c1ccccc1)CC2)c1cccnc1 ZINC000011979405 558306140 /nfs/dbraw/zinc/30/61/40/558306140.db2.gz UFSFWCRPJOYQCK-VMPITWQZSA-N 1 0 402.502 2.217 50 0 HEAARO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1CC1CCCCC1 ZINC000012004551 558308973 /nfs/dbraw/zinc/30/89/73/558308973.db2.gz DNJKVQQNESFSIV-PMACEKPBSA-N 1 0 412.538 2.236 50 0 HEAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCN1CCC(O)CC1 ZINC000020119579 558336732 /nfs/dbraw/zinc/33/67/32/558336732.db2.gz ZDLVCYQRWOIRIM-UHFFFAOYSA-N 1 0 413.566 2.205 50 0 HEAARO COc1ccc(C(=O)N(C)C[C@@H]2COCCO2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012303776 558373013 /nfs/dbraw/zinc/37/30/13/558373013.db2.gz UYWQVHIWVRRIMY-LJQANCHMSA-N 1 0 406.523 2.434 50 0 HEAARO O=C(NC[C@H]1COCCO1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012307909 558376422 /nfs/dbraw/zinc/37/64/22/558376422.db2.gz ORRWQWYIDLEFPW-FQEVSTJZSA-N 1 0 411.502 2.270 50 0 HEAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1C ZINC000012431750 558406096 /nfs/dbraw/zinc/40/60/96/558406096.db2.gz DPISDVKUWOCFRX-QGZVFWFLSA-N 1 0 406.494 2.228 50 0 HEAARO Cn1c2ccc(C[NH2+]Cc3c(C(=O)N4CCCC4)nc4sccn34)cc2n(C)c1=O ZINC000012433470 558407339 /nfs/dbraw/zinc/40/73/39/558407339.db2.gz VIQQHRMBMBQGOG-UHFFFAOYSA-N 1 0 424.530 2.112 50 0 HEAARO Cc1nn(C)c(C)c1CNC(=O)c1ccc(C[N@H+](C)CCc2ccccc2)[nH]c1=O ZINC000020776161 558412154 /nfs/dbraw/zinc/41/21/54/558412154.db2.gz CXIYNHBBQFCCJL-UHFFFAOYSA-N 1 0 407.518 2.330 50 0 HEAARO CCN1C[C@@H](C[N@H+](C)Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1=O ZINC000012447031 558414570 /nfs/dbraw/zinc/41/45/70/558414570.db2.gz LHZXICLXENKCSU-CQSZACIVSA-N 1 0 402.495 2.403 50 0 HEAARO O=C(Cc1cccnc1)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012449285 558415890 /nfs/dbraw/zinc/41/58/90/558415890.db2.gz HYVKQJNEEOWDEN-UHFFFAOYSA-N 1 0 421.545 2.039 50 0 HEAARO COc1cccc(C[NH2+]Cc2ccc(F)cc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000012468857 558421274 /nfs/dbraw/zinc/42/12/74/558421274.db2.gz WQEPHWZSFMLQOK-FQEVSTJZSA-N 1 0 404.482 2.196 50 0 HEAARO Cn1c(=O)c2c(SCC[NH+]3CCCCC3)nc(C3CCCC3)nc2n(C)c1=O ZINC000004341263 558425052 /nfs/dbraw/zinc/42/50/52/558425052.db2.gz IPFHFONPFXMDJY-UHFFFAOYSA-N 1 0 403.552 2.263 50 0 HEAARO COc1cc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000021795848 558449628 /nfs/dbraw/zinc/44/96/28/558449628.db2.gz XXKVGFJZRLEJBJ-UHFFFAOYSA-N 1 0 400.483 2.222 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@@H](C)n1cncn1 ZINC000012707474 558450500 /nfs/dbraw/zinc/45/05/00/558450500.db2.gz SSHDAMTXEMLYAW-GOSISDBHSA-N 1 0 415.538 2.235 50 0 HEAARO CCN1CC[NH+](C2CCN(c3nc4nonc4nc3NCc3ccccc3)CC2)CC1 ZINC000023358807 558551317 /nfs/dbraw/zinc/55/13/17/558551317.db2.gz FPAWMWBIJVIDSS-UHFFFAOYSA-N 1 0 422.537 2.231 50 0 HEAARO C[C@@H]1C[C@@H](C(=O)NCC2([N@H+](C)Cc3ccccc3)Cc3ccccc3C2)NC(=S)N1 ZINC000023366748 558552936 /nfs/dbraw/zinc/55/29/36/558552936.db2.gz JFOWSDQFKXMTAS-UTKZUKDTSA-N 1 0 422.598 2.397 50 0 HEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cc4c(c(OC)c3)OCO4)C2)CC1 ZINC000023375486 558554867 /nfs/dbraw/zinc/55/48/67/558554867.db2.gz JIAMZRYDJDPEOE-QGZVFWFLSA-N 1 0 405.495 2.162 50 0 HEAARO CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014537122 558658503 /nfs/dbraw/zinc/65/85/03/558658503.db2.gz PYIVTNWMIWFXDR-WOJBJXKFSA-N 1 0 418.607 2.291 50 0 HEAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014539658 558659424 /nfs/dbraw/zinc/65/94/24/558659424.db2.gz JOMPWEWGDWXGHV-UHFFFAOYSA-N 1 0 411.506 2.248 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@H](C)COC)CC2 ZINC000014742977 558667655 /nfs/dbraw/zinc/66/76/55/558667655.db2.gz NZJBRPKSGLXDGO-GOSISDBHSA-N 1 0 403.523 2.009 50 0 HEAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCCOC(C)C)C2 ZINC000014747290 558669483 /nfs/dbraw/zinc/66/94/83/558669483.db2.gz QWWXXUABDCANFE-SFHVURJKSA-N 1 0 406.571 2.274 50 0 HEAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014947734 558680031 /nfs/dbraw/zinc/68/00/31/558680031.db2.gz AXIUQBMGLJSAEY-QGZVFWFLSA-N 1 0 410.478 2.391 50 0 HEAARO O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000014966732 558686078 /nfs/dbraw/zinc/68/60/78/558686078.db2.gz WWJVKNOMCXSPBK-UHFFFAOYSA-N 1 0 413.522 2.438 50 0 HEAARO COC(=O)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000014981008 558691419 /nfs/dbraw/zinc/69/14/19/558691419.db2.gz KYHPELVTPQUKHE-QFIPXVFZSA-N 1 0 404.507 2.472 50 0 HEAARO COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029090351 558709760 /nfs/dbraw/zinc/70/97/60/558709760.db2.gz LNGAQRWEMDWYPM-GOSISDBHSA-N 1 0 405.564 2.290 50 0 HEAARO Cc1nc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(N2CCCC2)[nH+]1 ZINC000015838314 558756180 /nfs/dbraw/zinc/75/61/80/558756180.db2.gz ZZUKWIDIJUIMON-UHFFFAOYSA-N 1 0 419.485 2.454 50 0 HEAARO CC[NH+]1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)NC2=O)CC1 ZINC000016732714 558802426 /nfs/dbraw/zinc/80/24/26/558802426.db2.gz ORTAJWXZGPNZNI-KAMYIIQDSA-N 1 0 415.544 2.474 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987681 558807663 /nfs/dbraw/zinc/80/76/63/558807663.db2.gz TTYZVUUQCOFAPW-OAHLLOKOSA-N 1 0 417.535 2.298 50 0 HEAARO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC[NH+]1CCCCCC1 ZINC000097938336 558824803 /nfs/dbraw/zinc/82/48/03/558824803.db2.gz AHGYHDVLJNJGQS-UHFFFAOYSA-N 1 0 410.518 2.401 50 0 HEAARO COc1cccc(CN2CCC[C@](O)(C[N@@H+]3CCc4[nH]nc(C(C)C)c4C3)C2=O)c1 ZINC000067982230 558862420 /nfs/dbraw/zinc/86/24/20/558862420.db2.gz ARNHHPSQEQTRGB-QHCPKHFHSA-N 1 0 412.534 2.454 50 0 HEAARO COc1cccc(CN2CCC[C@@](O)(C[N@@H+]3CCc4[nH]nc(C(C)C)c4C3)C2=O)c1 ZINC000067982229 558862452 /nfs/dbraw/zinc/86/24/52/558862452.db2.gz ARNHHPSQEQTRGB-HSZRJFAPSA-N 1 0 412.534 2.454 50 0 HEAARO NC(=O)C1CCN(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000019369518 558877972 /nfs/dbraw/zinc/87/79/72/558877972.db2.gz GBYIONWGOHLWMT-UHFFFAOYSA-N 1 0 420.557 2.118 50 0 HEAARO CC(=O)N1CCC([N@H+](CC(=O)NCC(F)(F)F)Cc2ccc3c(c2)CCO3)CC1 ZINC000057996182 558893658 /nfs/dbraw/zinc/89/36/58/558893658.db2.gz XNOKJYYVHPGUPX-UHFFFAOYSA-N 1 0 413.440 2.113 50 0 HEAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416334 558897719 /nfs/dbraw/zinc/89/77/19/558897719.db2.gz GIIHFZVQSISRON-HXUWFJFHSA-N 1 0 408.550 2.486 50 0 HEAARO COc1ccnc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760349 558910078 /nfs/dbraw/zinc/91/00/78/558910078.db2.gz KFAHGVFLSAOWAU-GOSISDBHSA-N 1 0 416.566 2.398 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4[nH]ccc43)CC2)C1 ZINC000071764547 558910594 /nfs/dbraw/zinc/91/05/94/558910594.db2.gz JBMOJLNVVKIUDM-QGZVFWFLSA-N 1 0 419.533 2.350 50 0 HEAARO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000065364044 558975113 /nfs/dbraw/zinc/97/51/13/558975113.db2.gz PADQGNYZLVMZMF-UHFFFAOYSA-N 1 0 401.532 2.401 50 0 HEAARO O=C(Nc1ccc(N2CCOCC2)c(F)c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000097019233 558987907 /nfs/dbraw/zinc/98/79/07/558987907.db2.gz VBIVQYTUXDYIIL-UXHICEINSA-N 1 0 406.502 2.162 50 0 HEAARO C[NH+](C)[C@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)C1 ZINC000077388533 559003375 /nfs/dbraw/zinc/00/33/75/559003375.db2.gz HBLRDEMEOVFBHW-FQEVSTJZSA-N 1 0 414.550 2.140 50 0 HEAARO C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(c3ccnc(N)n3)CC2)OC1=O ZINC000077456291 559005761 /nfs/dbraw/zinc/00/57/61/559005761.db2.gz PSCUSMWHODUYAJ-UHFFFAOYSA-N 1 0 410.522 2.025 50 0 HEAARO O=C(Nc1ccc(N2CCOCC2)c(F)c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000097019239 559017566 /nfs/dbraw/zinc/01/75/66/559017566.db2.gz VBIVQYTUXDYIIL-VQTJNVASSA-N 1 0 406.502 2.162 50 0 HEAARO Nc1nccc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082107623 559038478 /nfs/dbraw/zinc/03/84/78/559038478.db2.gz WMZYNHJNSXKPLU-IBGZPJMESA-N 1 0 408.550 2.099 50 0 HEAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791600 559065470 /nfs/dbraw/zinc/06/54/70/559065470.db2.gz GJYNDWKCHSMMQP-UHFFFAOYSA-N 1 0 420.513 2.148 50 0 HEAARO COCC[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc3nccn3c2)CC1 ZINC000096137450 559095585 /nfs/dbraw/zinc/09/55/85/559095585.db2.gz HIFCJNUVPWHQAT-HXUWFJFHSA-N 1 0 400.523 2.314 50 0 HEAARO CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1CC(=O)OC13CCCC3)CC2 ZINC000096164916 559100964 /nfs/dbraw/zinc/10/09/64/559100964.db2.gz PNIOVWMKXRNYOZ-INIZCTEOSA-N 1 0 400.523 2.371 50 0 HEAARO C[C@H](CN1CC2(CC[NH+](Cc3cc(=O)n4nc[n-]c4n3)CC2)OC1=O)c1ccccc1 ZINC000102012919 559148915 /nfs/dbraw/zinc/14/89/15/559148915.db2.gz BBWFXXWAGNHQGF-MRXNPFEDSA-N 1 0 422.489 2.008 50 0 HEAARO COc1ccc2nnc(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2n1 ZINC000072405064 559190915 /nfs/dbraw/zinc/19/09/15/559190915.db2.gz BOUZZGCGAYSIAJ-UHFFFAOYSA-N 1 0 408.506 2.236 50 0 HEAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000247914136 559249188 /nfs/dbraw/zinc/24/91/88/559249188.db2.gz AUAHBVQNGCBQOO-LPHOPBHVSA-N 1 0 407.474 2.216 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]CC1CCCCC1 ZINC000004962739 560620887 /nfs/dbraw/zinc/62/08/87/560620887.db2.gz NHKPBFDEHVRJBB-UHFFFAOYSA-N 1 0 409.552 2.124 50 0 HEAARO Cn1cc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(c4ccccc4)CC2)CCO3)cn1 ZINC000575312905 560855426 /nfs/dbraw/zinc/85/54/26/560855426.db2.gz FFSKDEYUZDYJNB-JOCHJYFZSA-N 1 0 423.561 2.396 50 0 HEAARO CCC[NH+]1CCN(CC2=NC(=O)N[C@@H](c3ccc(C)cc3)C2C(=O)OCC)CC1 ZINC000051318480 560858733 /nfs/dbraw/zinc/85/87/33/560858733.db2.gz ZPGFYUBLBQRCQB-FQEVSTJZSA-N 1 0 400.523 2.194 50 0 HEAARO Cc1ccc(NC(=O)C2C(=O)[N+](c3ccc(C)cc3)=NN2CCN2CCOCC2)cc1 ZINC000020052510 560885701 /nfs/dbraw/zinc/88/57/01/560885701.db2.gz NGONUZWDYOPSGX-UHFFFAOYSA-O 1 0 422.509 2.067 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000048217849 568432428 /nfs/dbraw/zinc/43/24/28/568432428.db2.gz NRRGPEAICGHGIS-CQSZACIVSA-N 1 0 416.335 2.499 50 0 HEAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265258 568433942 /nfs/dbraw/zinc/43/39/42/568433942.db2.gz SFQXDKSKLLVNDO-JXFKEZNVSA-N 1 0 403.548 2.368 50 0 HEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000048343431 568440680 /nfs/dbraw/zinc/44/06/80/568440680.db2.gz NMRNCIXBGSCZLP-UHFFFAOYSA-N 1 0 412.578 2.089 50 0 HEAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000049543990 568451272 /nfs/dbraw/zinc/45/12/72/568451272.db2.gz YLXBTJUVWFHKAD-IBGZPJMESA-N 1 0 419.485 2.009 50 0 HEAARO CS(=O)(=O)N1CCc2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)ccc21 ZINC000008074609 568490143 /nfs/dbraw/zinc/49/01/43/568490143.db2.gz YPSLSRGJRIEIGL-SFHVURJKSA-N 1 0 403.504 2.169 50 0 HEAARO CC1=C(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C2(CCCCC2)OC1=O ZINC000020279356 568596631 /nfs/dbraw/zinc/59/66/31/568596631.db2.gz MTFXFHWNJDCBHK-UHFFFAOYSA-N 1 0 411.546 2.497 50 0 HEAARO CCN(CC)C(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000095427346 568608059 /nfs/dbraw/zinc/60/80/59/568608059.db2.gz MKXJLSLUFDCLST-SXLOBPIMSA-N 1 0 408.587 2.044 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)CCCn2sc3ccccc3c2=O)CC1 ZINC000020467434 568610610 /nfs/dbraw/zinc/61/06/10/568610610.db2.gz SCYVZUIFAYMJMQ-UHFFFAOYSA-N 1 0 404.580 2.377 50 0 HEAARO CC[NH+]1CCN([C@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604649 568636307 /nfs/dbraw/zinc/63/63/07/568636307.db2.gz DGKRQOLBLRMHDH-JOCHJYFZSA-N 1 0 415.534 2.244 50 0 HEAARO CS(=O)(=O)c1ccc(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000029157880 568647069 /nfs/dbraw/zinc/64/70/69/568647069.db2.gz TUBHWLWAYCJZFL-UHFFFAOYSA-N 1 0 415.559 2.028 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000020925742 568651336 /nfs/dbraw/zinc/65/13/36/568651336.db2.gz HQSPARNWPOJEHV-UHFFFAOYSA-N 1 0 404.486 2.141 50 0 HEAARO CCC[NH+](CCC)CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000021026818 568658866 /nfs/dbraw/zinc/65/88/66/568658866.db2.gz MEBKPRJPKFSJCR-INIZCTEOSA-N 1 0 422.599 2.120 50 0 HEAARO COc1ccc(OC)c(COC[C@H](O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000012420281 568720441 /nfs/dbraw/zinc/72/04/41/568720441.db2.gz OSVLEGSQOQWGGI-LJQANCHMSA-N 1 0 416.518 2.412 50 0 HEAARO O=C(CCc1nnc2c3cc(-c4ccc(F)cc4)nn3ccn12)NCC[NH+]1CCCC1 ZINC000096322313 568729980 /nfs/dbraw/zinc/72/99/80/568729980.db2.gz KQCZYNSFVFHNHF-UHFFFAOYSA-N 1 0 421.480 2.328 50 0 HEAARO CCCS(=O)(=O)NC1CC[NH+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000241862540 568731810 /nfs/dbraw/zinc/73/18/10/568731810.db2.gz SQYVHDIWHYMCPV-DNVCBOLYSA-N 1 0 401.573 2.037 50 0 HEAARO Cc1ccn(C[C@@](C)(O)C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c(=O)c1 ZINC000242346908 568732778 /nfs/dbraw/zinc/73/27/78/568732778.db2.gz ZKCCWABJCXBWJX-JOCHJYFZSA-N 1 0 415.559 2.404 50 0 HEAARO C[C@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)N1CCNC1=O ZINC000021702501 568741791 /nfs/dbraw/zinc/74/17/91/568741791.db2.gz DWBIEQDLTBRYTA-SFHVURJKSA-N 1 0 407.518 2.361 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582646 568770625 /nfs/dbraw/zinc/77/06/25/568770625.db2.gz PZOXLNYOERLJQA-NRFANRHFSA-N 1 0 403.548 2.271 50 0 HEAARO Cc1ccc(N2CC[NH+](CCCNC(=O)c3nc(-c4cncnc4)no3)CC2)cc1C ZINC000029043008 568815611 /nfs/dbraw/zinc/81/56/11/568815611.db2.gz AWUDQZVZXLEYMK-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO Cn1nnnc1SCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057315398 568826576 /nfs/dbraw/zinc/82/65/76/568826576.db2.gz YYTBEHHOYVEDLR-UHFFFAOYSA-N 1 0 423.546 2.263 50 0 HEAARO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c1 ZINC000230209310 568854867 /nfs/dbraw/zinc/85/48/67/568854867.db2.gz FWRCJYBVEAARJG-LMMKCTJWSA-N 1 0 415.534 2.437 50 0 biogenic HEAARO Cc1cnn(C)c1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299761859 568873318 /nfs/dbraw/zinc/87/33/18/568873318.db2.gz AXQGOESHEZJZAK-HXUWFJFHSA-N 1 0 416.497 2.138 50 0 HEAARO Cc1nn(C)cc1C[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299769428 568874154 /nfs/dbraw/zinc/87/41/54/568874154.db2.gz XLKZWCYRTZPKOJ-NRFANRHFSA-N 1 0 416.497 2.138 50 0 HEAARO CCc1cc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc(C)n1 ZINC000299782016 568875260 /nfs/dbraw/zinc/87/52/60/568875260.db2.gz XANGGHDIFNJPIG-FQEVSTJZSA-N 1 0 401.555 2.109 50 0 HEAARO CS(=O)(=O)CCNC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000670435782 568875695 /nfs/dbraw/zinc/87/56/95/568875695.db2.gz WFLRZABRIXDCBU-UHFFFAOYSA-N 1 0 400.544 2.381 50 0 HEAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cc2ccccc2[nH]1 ZINC000299802159 568876629 /nfs/dbraw/zinc/87/66/29/568876629.db2.gz XZBGBYAZBACVRR-FQEVSTJZSA-N 1 0 424.545 2.247 50 0 HEAARO O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000670439150 568885697 /nfs/dbraw/zinc/88/56/97/568885697.db2.gz CVXVPQYBXKCDJB-ZDUSSCGKSA-N 1 0 401.902 2.170 50 0 HEAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000083877871 568922165 /nfs/dbraw/zinc/92/21/65/568922165.db2.gz OLMQEBSYORSISS-KRWDZBQOSA-N 1 0 423.355 2.016 50 0 HEAARO O=C(CNC1=NS(=O)(=O)c2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012750123 568937847 /nfs/dbraw/zinc/93/78/47/568937847.db2.gz XIDNRMLNEUWLAJ-UHFFFAOYSA-N 1 0 418.563 2.030 50 0 HEAARO O=C(CN1CCN(c2ncccn2)CC1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000670461419 568951582 /nfs/dbraw/zinc/95/15/82/568951582.db2.gz VSOHPYSETDPTIA-QFIPXVFZSA-N 1 0 422.577 2.332 50 0 HEAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000078870154 568957757 /nfs/dbraw/zinc/95/77/57/568957757.db2.gz ZQNMPBDFERNXIM-NEPJUHHUSA-N 1 0 402.358 2.381 50 0 HEAARO COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000016033260 569027958 /nfs/dbraw/zinc/02/79/58/569027958.db2.gz CPLYWWPWWQYOHJ-TUULYGBASA-N 1 0 415.877 2.494 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000012941846 569028732 /nfs/dbraw/zinc/02/87/32/569028732.db2.gz DDNINGRLZXDYQF-UHFFFAOYSA-N 1 0 423.579 2.012 50 0 HEAARO Cc1nc(Nc2ccccn2)cc(N2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000090607972 569042132 /nfs/dbraw/zinc/04/21/32/569042132.db2.gz HJLYMPNCOZHAJU-UHFFFAOYSA-N 1 0 416.532 2.496 50 0 HEAARO COCCn1c(CN2CC[N@@H+]3CCC[C@H]3C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000244778589 569055121 /nfs/dbraw/zinc/05/51/21/569055121.db2.gz PTICXFDQBOWNEO-IBGZPJMESA-N 1 0 424.611 2.164 50 0 HEAARO CCC[NH+]1CCN(C(=O)c2ccc(N3C(=O)C=C(N4CCC(C)CC4)C3=O)cc2)CC1 ZINC000064567203 569067316 /nfs/dbraw/zinc/06/73/16/569067316.db2.gz KDNOCWJXKRXBJQ-UHFFFAOYSA-N 1 0 424.545 2.343 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000035991524 569074579 /nfs/dbraw/zinc/07/45/79/569074579.db2.gz JFECVGFEUKDZFY-IBGZPJMESA-N 1 0 420.941 2.491 50 0 HEAARO Cn1c2c(C(=O)NC3CCCC3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836074 569104596 /nfs/dbraw/zinc/10/45/96/569104596.db2.gz QTPOKBYHZJTGGP-UHFFFAOYSA-N 1 0 405.502 2.264 50 0 HEAARO CC(C)CCNC(=O)c1cnn2c1n(C)c1c(c2=O)C[N@@H+](Cc2ccccc2)CC1 ZINC000064836106 569104605 /nfs/dbraw/zinc/10/46/05/569104605.db2.gz ZKTKVWZFZXIZSM-UHFFFAOYSA-N 1 0 407.518 2.367 50 0 HEAARO CC[C@@H](C)C(=O)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255094 569120279 /nfs/dbraw/zinc/12/02/79/569120279.db2.gz YJHXPKRMZUVULB-TZIWHRDSSA-N 1 0 406.615 2.338 50 0 HEAARO C[N@H+](CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1 ZINC000006797267 569125194 /nfs/dbraw/zinc/12/51/94/569125194.db2.gz JJCHIYLEFJRHSO-UHFFFAOYSA-N 1 0 403.486 2.288 50 0 HEAARO Cc1cn2c3c(nc2n1C1CCCCC1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000006804532 569131459 /nfs/dbraw/zinc/13/14/59/569131459.db2.gz WWSCEHDZRQWBSJ-UHFFFAOYSA-N 1 0 412.538 2.449 50 0 HEAARO CC[NH+](CC)CCCNC(=O)Cn1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970661 569138755 /nfs/dbraw/zinc/13/87/55/569138755.db2.gz RIYUZOGLYNCFSD-UHFFFAOYSA-N 1 0 410.522 2.047 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2OC)C2CC[NH+](C)CC2)c[nH]1 ZINC000007007049 569199884 /nfs/dbraw/zinc/19/98/84/569199884.db2.gz WZFPUSGZXQYANJ-UHFFFAOYSA-N 1 0 421.519 2.095 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314115 569223200 /nfs/dbraw/zinc/22/32/00/569223200.db2.gz UAMUJJSZEOTHHG-NRFANRHFSA-N 1 0 423.561 2.110 50 0 HEAARO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000170598326 569242420 /nfs/dbraw/zinc/24/24/20/569242420.db2.gz CQRDQDSHTPCOIZ-SFHVURJKSA-N 1 0 423.583 2.160 50 0 HEAARO CCN(CC)C(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000252477348 569288382 /nfs/dbraw/zinc/28/83/82/569288382.db2.gz MKXJLSLUFDCLST-DFQSSKMNSA-N 1 0 408.587 2.044 50 0 HEAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000007788207 569310493 /nfs/dbraw/zinc/31/04/93/569310493.db2.gz SHJCDYJTNZJFGC-HOTGVXAUSA-N 1 0 413.971 2.151 50 0 HEAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCn2c3ccccc3c(=O)[nH]c2=O)C1 ZINC000195529521 569312024 /nfs/dbraw/zinc/31/20/24/569312024.db2.gz MRCZQNGIAVWYJZ-FUHWJXTLSA-N 1 0 406.486 2.032 50 0 HEAARO O=C(c1cccnc1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819852 569321024 /nfs/dbraw/zinc/32/10/24/569321024.db2.gz PAJWXPWFQLNHGP-OAQYLSRUSA-N 1 0 421.545 2.453 50 0 HEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404725 569365880 /nfs/dbraw/zinc/36/58/80/569365880.db2.gz DOCVFDBFTJOYLG-IRLDBZIGSA-N 1 0 423.561 2.408 50 0 HEAARO C[NH+](C)CCNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000008765337 571115444 /nfs/dbraw/zinc/11/54/44/571115444.db2.gz FEKWCJKHRHEESZ-UHFFFAOYSA-N 1 0 414.502 2.442 50 0 biogenic HEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000040071019 571151677 /nfs/dbraw/zinc/15/16/77/571151677.db2.gz HGLAQTAOYCZVRG-KZNAEPCWSA-N 1 0 421.563 2.449 50 0 HEAARO Cc1ccc(-c2nnc(CCC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)o2)cc1 ZINC000040118608 571174787 /nfs/dbraw/zinc/17/47/87/571174787.db2.gz ZSSAIWCJKXXAQG-UHFFFAOYSA-N 1 0 420.517 2.441 50 0 HEAARO O=C(Cc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1)N1CCOCC1 ZINC000069529285 571229000 /nfs/dbraw/zinc/22/90/00/571229000.db2.gz VVXKEMTVZQBORB-HXUWFJFHSA-N 1 0 400.523 2.180 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000009287343 571245191 /nfs/dbraw/zinc/24/51/91/571245191.db2.gz BRCCYWVLEAIKSM-OAHLLOKOSA-N 1 0 414.535 2.000 50 0 HEAARO Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000069923061 571249850 /nfs/dbraw/zinc/24/98/50/571249850.db2.gz WWEDLNBHBPMMOW-UHFFFAOYSA-N 1 0 418.501 2.001 50 0 HEAARO CN(CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000069980144 571252533 /nfs/dbraw/zinc/25/25/33/571252533.db2.gz PYDRNXYNCQZBOK-UHFFFAOYSA-N 1 0 410.367 2.165 50 0 HEAARO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC000009375889 571252817 /nfs/dbraw/zinc/25/28/17/571252817.db2.gz UXJURBLTFIKWAG-QGZVFWFLSA-N 1 0 419.474 2.371 50 0 HEAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040071334 571307573 /nfs/dbraw/zinc/30/75/73/571307573.db2.gz LKGJBBNLUPCPFN-GOSISDBHSA-N 1 0 421.549 3.023 50 0 HEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)C[C@H]([NH+]1CCOCC1)CCO2 ZINC000581784020 1078763859 /nfs/dbraw/zinc/76/38/59/1078763859.db2.gz WZJFOWFRYOUEDD-GOSISDBHSA-N 1 0 417.506 2.336 50 0 HEAARO C[N@@H+]1CCCN(C(=O)CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)no2)CC1 ZINC000581785870 1078765475 /nfs/dbraw/zinc/76/54/75/1078765475.db2.gz MFFHCNNSFFFCKY-GOSISDBHSA-N 1 0 411.506 2.144 50 0 HEAARO CCn1cc(CN2CCC([N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C(=O)NC)CC2)cn1 ZINC000575552779 1076345643 /nfs/dbraw/zinc/34/56/43/1076345643.db2.gz PYQMFQSEGREXIS-VXKWHMMOSA-N 1 0 411.550 2.135 50 0 HEAARO COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000003670347 132268460 /nfs/dbraw/zinc/26/84/60/132268460.db2.gz XHSIYSVUNMGEND-QHCPKHFHSA-N 1 0 424.501 2.495 50 0 HEAARO CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000004299532 132274440 /nfs/dbraw/zinc/27/44/40/132274440.db2.gz GKUYUHNWUPCTPR-RTBURBONSA-N 1 0 419.522 2.215 50 0 HEAARO COc1ccc([C@@H](CNC(=O)c2cc(N3CCOCC3)ccn2)[NH+]2CCCC2)cc1 ZINC000008704896 132332238 /nfs/dbraw/zinc/33/22/38/132332238.db2.gz SAFGPPUJONQZSD-JOCHJYFZSA-N 1 0 410.518 2.494 50 0 HEAARO O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011698036 132350187 /nfs/dbraw/zinc/35/01/87/132350187.db2.gz DYJPVEGNYQWEFT-UHFFFAOYSA-N 1 0 414.466 2.265 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000015074096 132461259 /nfs/dbraw/zinc/46/12/59/132461259.db2.gz FPJOLJDEPXANGM-UHFFFAOYSA-N 1 0 415.513 2.352 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746968 519821238 /nfs/dbraw/zinc/82/12/38/519821238.db2.gz ZVVINHNERSCXLG-IHPCNDPISA-N 1 0 407.580 2.370 50 0 HEAARO CC[NH+](CC)[C@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000032908328 520866615 /nfs/dbraw/zinc/86/66/15/520866615.db2.gz MLUHGXDCQJHCSF-LJQANCHMSA-N 1 0 421.501 2.233 50 0 HEAARO CCS(=O)(=O)c1ncc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1CCc1ccccc1 ZINC000020538809 521694699 /nfs/dbraw/zinc/69/46/99/521694699.db2.gz JNCHFZCFWKARFZ-LJQANCHMSA-N 1 0 402.564 2.199 50 0 HEAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H](O)c1ccccc1 ZINC000043417385 521824660 /nfs/dbraw/zinc/82/46/60/521824660.db2.gz BXIPUSUOOMGYIH-VQIMIIECSA-N 1 0 405.520 2.123 50 0 HEAARO Cc1ccc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCCC2)c1 ZINC000045974200 524186633 /nfs/dbraw/zinc/18/66/33/524186633.db2.gz XXIJGPDNQGDDTP-UHFFFAOYSA-N 1 0 407.580 2.449 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1C ZINC000045974576 524314701 /nfs/dbraw/zinc/31/47/01/524314701.db2.gz GVYMCXFSRCMQEK-UHFFFAOYSA-N 1 0 407.580 2.367 50 0 HEAARO COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000045944087 525012831 /nfs/dbraw/zinc/01/28/31/525012831.db2.gz AGXNMJXJEZTWOM-UHFFFAOYSA-N 1 0 423.579 2.231 50 0 HEAARO O=C(NC[C@H](O)C[NH+]1CCCCC1)C(=O)Nc1ccccc1SCC(F)(F)F ZINC000041642730 526572482 /nfs/dbraw/zinc/57/24/82/526572482.db2.gz DQSXZJMRWBONIF-ZDUSSCGKSA-N 1 0 419.469 2.243 50 0 HEAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 ZINC000012796347 536009493 /nfs/dbraw/zinc/00/94/93/536009493.db2.gz YBLOKMNUVLUXSN-UHFFFAOYSA-N 1 0 401.532 2.390 50 0 HEAARO CC(C)[C@H](CNS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000097324292 557270010 /nfs/dbraw/zinc/27/00/10/557270010.db2.gz NLXGXLPGUNMASX-LBPRGKRZSA-N 1 0 410.403 2.061 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002444537 557348061 /nfs/dbraw/zinc/34/80/61/557348061.db2.gz VBXAXDQEMNQEOH-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cn2)CC1 ZINC000034667998 557361299 /nfs/dbraw/zinc/36/12/99/557361299.db2.gz XITDLXZSXRDMHY-SFHVURJKSA-N 1 0 416.497 2.381 50 0 HEAARO Cc1ccc(Cn2c(SCC[NH+]3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000004134840 557518598 /nfs/dbraw/zinc/51/85/98/557518598.db2.gz FIMLBRNZJKDEJN-UHFFFAOYSA-N 1 0 413.547 2.358 50 0 HEAARO COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000004744847 557591680 /nfs/dbraw/zinc/59/16/80/557591680.db2.gz UEMHXSNZQCJLMS-OAHLLOKOSA-N 1 0 410.356 2.444 50 0 HEAARO C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000022778676 557821365 /nfs/dbraw/zinc/82/13/65/557821365.db2.gz YXXZAANTXFBFKZ-UWJYYQICSA-N 1 0 412.509 2.108 50 0 HEAARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796222 557822985 /nfs/dbraw/zinc/82/29/85/557822985.db2.gz ABWNZTLBMLSMHY-NRFANRHFSA-N 1 0 412.509 2.486 50 0 HEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000019770739 558279468 /nfs/dbraw/zinc/27/94/68/558279468.db2.gz IZVGKCYZCHTGPZ-LJQANCHMSA-N 1 0 412.486 2.215 50 0 HEAARO Cc1cccc2[nH]c(CC[NH2+]Cc3c(C(=O)N4CCOCC4)nc4ccccn43)nc21 ZINC000019782023 558281459 /nfs/dbraw/zinc/28/14/59/558281459.db2.gz DHGJREHYCGSWJG-UHFFFAOYSA-N 1 0 418.501 2.324 50 0 HEAARO CCC1(CC)C[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000011818572 558281918 /nfs/dbraw/zinc/28/19/18/558281918.db2.gz YFPHMGCIJXOUGZ-FQEVSTJZSA-N 1 0 405.583 2.375 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CCN3CCCO3)C2)cc1OC ZINC000011839106 558285922 /nfs/dbraw/zinc/28/59/22/558285922.db2.gz JIJOMSRUMOUFDJ-LJQANCHMSA-N 1 0 405.539 2.197 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc(C)nc(N)n3)C2)cc1OC 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Cc1ccc(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000020782362 558413068 /nfs/dbraw/zinc/41/30/68/558413068.db2.gz LITBHQGYCSDRKY-UHFFFAOYSA-N 1 0 404.518 2.289 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC4)n3CC2)c(OC)c1C ZINC000020785647 558413890 /nfs/dbraw/zinc/41/38/90/558413890.db2.gz XABNFZSALBXSDV-OAHLLOKOSA-N 1 0 413.522 2.249 50 0 HEAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCc4cnccn4)c3)CC2)CC1 ZINC000020906167 558421104 /nfs/dbraw/zinc/42/11/04/558421104.db2.gz DYVZKSIUDKHYFO-UHFFFAOYSA-N 1 0 423.561 2.387 50 0 HEAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)CCN3CCOCC3)C2)cc1 ZINC000012475733 558422556 /nfs/dbraw/zinc/42/25/56/558422556.db2.gz CPIZSCGLBYMWTL-OAQYLSRUSA-N 1 0 403.567 2.130 50 0 HEAARO C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000072036966 558434642 /nfs/dbraw/zinc/43/46/42/558434642.db2.gz WYYAFKUQFHKHMB-ROUUACIJSA-N 1 0 402.539 2.221 50 0 HEAARO COc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012716795 558455779 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HEAARO COC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](CC(C)C)CC2)C1=O ZINC000014533957 558657201 /nfs/dbraw/zinc/65/72/01/558657201.db2.gz RTUPRVBRIZFYGA-UHFFFAOYSA-N 1 0 401.507 2.157 50 0 HEAARO C[C@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014740493 558666465 /nfs/dbraw/zinc/66/64/65/558666465.db2.gz AMAYSTGRUBNYFT-LJQANCHMSA-N 1 0 422.529 2.304 50 0 HEAARO COc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N4CCSCC4)nn3C)C2)cc1 ZINC000014740415 558666484 /nfs/dbraw/zinc/66/64/84/558666484.db2.gz XKKCRTPULKTAOF-INIZCTEOSA-N 1 0 400.548 2.265 50 0 HEAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1(O)CCCCC1)C2 ZINC000014743443 558667784 /nfs/dbraw/zinc/66/77/84/558667784.db2.gz YPDFVDCARVMXMF-SFHVURJKSA-N 1 0 418.582 2.154 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](C1CCOCC1)CC2 ZINC000014749631 558670352 /nfs/dbraw/zinc/67/03/52/558670352.db2.gz BCKZQTMVGYAMQS-UHFFFAOYSA-N 1 0 415.534 2.153 50 0 HEAARO COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1N1CCOCC1 ZINC000014879792 558675700 /nfs/dbraw/zinc/67/57/00/558675700.db2.gz LJXOZBCJYWJRJZ-GHTZIAJQSA-N 1 0 406.523 2.180 50 0 HEAARO CC(=O)Nc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014961709 558684264 /nfs/dbraw/zinc/68/42/64/558684264.db2.gz LDFSSUVGKDCHEX-OAHLLOKOSA-N 1 0 422.489 2.379 50 0 HEAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000022938070 558726575 /nfs/dbraw/zinc/72/65/75/558726575.db2.gz ZKIDMGXOQJCIML-JOCHJYFZSA-N 1 0 408.546 2.497 50 0 HEAARO CCOC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@@H]1c1ccccc1F ZINC000004570638 558742852 /nfs/dbraw/zinc/74/28/52/558742852.db2.gz YJWQSLMCWMFPNM-KRWDZBQOSA-N 1 0 415.465 2.115 50 0 HEAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000035421844 558791119 /nfs/dbraw/zinc/79/11/19/558791119.db2.gz OQMNJGGABZSYGK-UHFFFAOYSA-N 1 0 417.456 2.438 50 0 HEAARO Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)NCC[NH+]3CCCC3)c2=O)c1 ZINC000097938444 558825015 /nfs/dbraw/zinc/82/50/15/558825015.db2.gz QWOJTVIVUDYQKU-UHFFFAOYSA-N 1 0 411.506 2.321 50 0 HEAARO CS(=O)(=O)N1CCCc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)ccc21 ZINC000013580447 558844965 /nfs/dbraw/zinc/84/49/65/558844965.db2.gz KZMKYWGOEPGPEZ-UHFFFAOYSA-N 1 0 413.543 2.357 50 0 HEAARO CCOCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000033077166 558868467 /nfs/dbraw/zinc/86/84/67/558868467.db2.gz QAXWNRWUJOZPLZ-UHFFFAOYSA-N 1 0 407.536 2.040 50 0 HEAARO C[C@@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000055540840 558882134 /nfs/dbraw/zinc/88/21/34/558882134.db2.gz KMFRYIUCGHRGCY-SFHVURJKSA-N 1 0 407.580 2.077 50 0 HEAARO CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000060370497 558890642 /nfs/dbraw/zinc/89/06/42/558890642.db2.gz QZLYRMQVTKNLTO-LYBXBRPPSA-N 1 0 407.580 2.265 50 0 HEAARO Cn1ncc(Cl)c1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748932 558908661 /nfs/dbraw/zinc/90/86/61/558908661.db2.gz KYQHMQSDEGPMBI-HNNXBMFYSA-N 1 0 407.946 2.013 50 0 HEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc4nccnc43)CC2)C1 ZINC000071756909 558909898 /nfs/dbraw/zinc/90/98/98/558909898.db2.gz ZOPLWKFBAJTIAY-INIZCTEOSA-N 1 0 407.518 2.225 50 0 HEAARO CNS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1 ZINC000058246461 558914705 /nfs/dbraw/zinc/91/47/05/558914705.db2.gz PDGXDSWSVXWZOH-UHFFFAOYSA-N 1 0 415.559 2.375 50 0 HEAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000033061854 558955461 /nfs/dbraw/zinc/95/54/61/558955461.db2.gz KFAWFMQHWVBAIK-UHFFFAOYSA-N 1 0 417.535 2.334 50 0 HEAARO COc1ccc(NC(=O)c2nnc(CCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000033061824 558955488 /nfs/dbraw/zinc/95/54/88/558955488.db2.gz FWGGIXQBERQFHT-UHFFFAOYSA-N 1 0 417.535 2.334 50 0 HEAARO CCNc1nc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc(C)[nH+]1 ZINC000064800694 558966066 /nfs/dbraw/zinc/96/60/66/558966066.db2.gz YLBLCZFRIBYJSR-UHFFFAOYSA-N 1 0 405.524 2.045 50 0 HEAARO COc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000065362762 558973621 /nfs/dbraw/zinc/97/36/21/558973621.db2.gz AUPTYJYJWVWFML-UHFFFAOYSA-N 1 0 417.531 2.101 50 0 HEAARO Cc1ccc(N(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000065363803 558975008 /nfs/dbraw/zinc/97/50/08/558975008.db2.gz DAHDVAQCHDXDQP-UHFFFAOYSA-N 1 0 416.547 2.152 50 0 HEAARO CC(C)[NH+]1CCN(CCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)CC1 ZINC000077488761 559007238 /nfs/dbraw/zinc/00/72/38/559007238.db2.gz WMQLNFNZMJCQQC-UHFFFAOYSA-N 1 0 414.550 2.140 50 0 HEAARO CC(C)[NH+]1CCN(CCCN2CC3(CCN(C(=O)CC4CC4)CC3)OC2=O)CC1 ZINC000077515982 559007886 /nfs/dbraw/zinc/00/78/86/559007886.db2.gz BESNRHWXJLHBKB-UHFFFAOYSA-N 1 0 406.571 2.016 50 0 HEAARO CCC[C@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)NCc3ccc(C)o3)cc2C1 ZINC000077518415 559008075 /nfs/dbraw/zinc/00/80/75/559008075.db2.gz XZKOUIHUUCXFQT-IBGZPJMESA-N 1 0 405.520 2.079 50 0 HEAARO CCc1nnc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000082091472 559037032 /nfs/dbraw/zinc/03/70/32/559037032.db2.gz SIBDCIIBHOFMAF-KRWDZBQOSA-N 1 0 412.538 2.020 50 0 HEAARO Cc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082096534 559037285 /nfs/dbraw/zinc/03/72/85/559037285.db2.gz VFLPEVCBKOXRLZ-HXUWFJFHSA-N 1 0 410.566 2.116 50 0 HEAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3ccon3)CC2)C1 ZINC000082097142 559037559 /nfs/dbraw/zinc/03/75/59/559037559.db2.gz WSHGRQDSTGRVEF-LJQANCHMSA-N 1 0 410.518 2.350 50 0 HEAARO Cc1noc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)n1 ZINC000082136846 559040343 /nfs/dbraw/zinc/04/03/43/559040343.db2.gz WQNHVQCINRETTF-FQEVSTJZSA-N 1 0 411.550 2.413 50 0 HEAARO CCc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)no1 ZINC000082166960 559042178 /nfs/dbraw/zinc/04/21/78/559042178.db2.gz DSPYAKVCPIIEPA-SFHVURJKSA-N 1 0 412.538 2.020 50 0 HEAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)Nc1ccccc1F ZINC000008769204 559064716 /nfs/dbraw/zinc/06/47/16/559064716.db2.gz BMAWZXBTUJBXIW-UHFFFAOYSA-N 1 0 410.449 2.351 50 0 HEAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCC[NH+]3CCC(C)CC3)ccc2c1=O ZINC000004791308 559065648 /nfs/dbraw/zinc/06/56/48/559065648.db2.gz YQJOCPULGSPYGV-UHFFFAOYSA-N 1 0 400.523 2.342 50 0 HEAARO CN(CCc1cn[nH]c1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000092077009 559075368 /nfs/dbraw/zinc/07/53/68/559075368.db2.gz WWZRQXJGSPCEDV-OAQYLSRUSA-N 1 0 410.566 2.182 50 0 HEAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CNC(N)=O ZINC000095496582 559081507 /nfs/dbraw/zinc/08/15/07/559081507.db2.gz AZUPSFOTPRAABO-OAHLLOKOSA-N 1 0 400.445 2.087 50 0 HEAARO Cc1noc(C)c1CN(C)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000095501745 559082486 /nfs/dbraw/zinc/08/24/86/559082486.db2.gz LTBGUUZKZUXHLH-FQEVSTJZSA-N 1 0 403.523 2.120 50 0 HEAARO CC[NH+](CC)CCn1c2c(c(SCC(=O)Nc3nccs3)nc1=O)CCC2 ZINC000005254240 560552017 /nfs/dbraw/zinc/55/20/17/560552017.db2.gz XMAFLVFDCMGQNX-UHFFFAOYSA-N 1 0 407.565 2.261 50 0 HEAARO C[NH+](C)CCn1c(=O)nc(SCC(=O)N2CCc3ccccc32)c2c1CCCC2 ZINC000005254439 560552117 /nfs/dbraw/zinc/55/21/17/560552117.db2.gz NHAKOTWANXVUSP-UHFFFAOYSA-N 1 0 412.559 2.365 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2C)CC1 ZINC000102120180 560807653 /nfs/dbraw/zinc/80/76/53/560807653.db2.gz DTSDTHGDMBBZOI-PMACEKPBSA-N 1 0 424.545 2.417 50 0 HEAARO Cc1ncoc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000575555322 560855608 /nfs/dbraw/zinc/85/56/08/560855608.db2.gz AHSUNGYLURJURK-LJQANCHMSA-N 1 0 404.555 2.410 50 0 HEAARO COc1ccc(OC)c2c1CN(C[C@H](O)COc1cccc(C(C)=O)c1)C[C@@H]2O ZINC000105647675 560876610 /nfs/dbraw/zinc/87/66/10/560876610.db2.gz VKHDSJUQOZRMLQ-LPHOPBHVSA-N 1 0 401.459 2.195 50 0 HEAARO COc1cc(CCC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc(OC)c1OC ZINC000047423062 560886874 /nfs/dbraw/zinc/88/68/74/560886874.db2.gz YGLJCQGONODNMN-UHFFFAOYSA-N 1 0 406.523 2.216 50 0 HEAARO O=C(C[NH+]1CCCCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000007339549 568479172 /nfs/dbraw/zinc/47/91/72/568479172.db2.gz YHQIOIGGZCDJSE-UHFFFAOYSA-N 1 0 405.973 2.110 50 0 HEAARO COC[C@@H](O)C[NH+]1CCC(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)CC1 ZINC000095445007 568611638 /nfs/dbraw/zinc/61/16/38/568611638.db2.gz XYBNEJFMFBCOBQ-INIZCTEOSA-N 1 0 418.563 2.387 50 0 HEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000095449613 568613717 /nfs/dbraw/zinc/61/37/17/568613717.db2.gz GCOZCGYCMMARLL-UHFFFAOYSA-N 1 0 407.580 2.175 50 0 HEAARO Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCCN3CC[NH+](C)CC3)o2)c1 ZINC000020514523 568622471 /nfs/dbraw/zinc/62/24/71/568622471.db2.gz JFNAVYRGKIIKCG-MUUNZHRXSA-N 1 0 403.548 2.263 50 0 HEAARO COc1ccc(N2CCC[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000095478349 568631801 /nfs/dbraw/zinc/63/18/01/568631801.db2.gz XPQFGBGOIYNZBF-LJQANCHMSA-N 1 0 409.534 2.482 50 0 HEAARO C[C@H](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)[NH+]1CCCCCC1 ZINC000020985055 568655073 /nfs/dbraw/zinc/65/50/73/568655073.db2.gz YVYZEXHWOVMDOM-CQSZACIVSA-N 1 0 410.565 2.431 50 0 HEAARO O=S(=O)(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000095972955 568672087 /nfs/dbraw/zinc/67/20/87/568672087.db2.gz XCXUIZRCIGPAOO-HZPDHXFCSA-N 1 0 403.342 2.105 50 0 HEAARO COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C=C2 ZINC000096232412 568708017 /nfs/dbraw/zinc/70/80/17/568708017.db2.gz NAMSXGDCJNKTTL-UHFFFAOYSA-N 1 0 415.534 2.485 50 0 HEAARO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000240668470 568730284 /nfs/dbraw/zinc/73/02/84/568730284.db2.gz HNBOYYXZZOXPIQ-OIISXLGYSA-N 1 0 423.355 2.367 50 0 HEAARO C[C@@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)N1CCNC1=O ZINC000021702497 568741863 /nfs/dbraw/zinc/74/18/63/568741863.db2.gz DWBIEQDLTBRYTA-GOSISDBHSA-N 1 0 407.518 2.361 50 0 HEAARO Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)nnn12 ZINC000096397710 568746305 /nfs/dbraw/zinc/74/63/05/568746305.db2.gz DFFDNQJPVCHZFN-UHFFFAOYSA-N 1 0 416.485 2.274 50 0 HEAARO CCc1nc2c(s1)c(C)nn(CC(=O)N1CC[NH+](C3CCCCC3)CC1)c2=O ZINC000096400100 568749467 /nfs/dbraw/zinc/74/94/67/568749467.db2.gz RGTZCDARHWYIPU-UHFFFAOYSA-N 1 0 403.552 2.201 50 0 HEAARO C[C@H]1C[N@H+](C)CC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000052198044 568759502 /nfs/dbraw/zinc/75/95/02/568759502.db2.gz NDUVVMIZMQMBOB-KKSFZXQISA-N 1 0 419.591 2.032 50 0 HEAARO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3nnc4ccccc4c3=O)cc2)CC1 ZINC000029358497 568824797 /nfs/dbraw/zinc/82/47/97/568824797.db2.gz NKFJETJFRXPGJD-UHFFFAOYSA-N 1 0 405.502 2.340 50 0 HEAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012542412 568848927 /nfs/dbraw/zinc/84/89/27/568848927.db2.gz CFHYZEALTXOUJH-UHFFFAOYSA-N 1 0 416.547 2.249 50 0 HEAARO CCn1ccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299756008 568872601 /nfs/dbraw/zinc/87/26/01/568872601.db2.gz HEJNWAPCRTZYAM-OAQYLSRUSA-N 1 0 416.497 2.313 50 0 HEAARO O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504271192 568872716 /nfs/dbraw/zinc/87/27/16/568872716.db2.gz WXZHVIJYLUXOLH-UFYCRDLUSA-N 1 0 412.534 2.268 50 0 HEAARO CC(C)c1nnc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)s1 ZINC000299779984 568874994 /nfs/dbraw/zinc/87/49/94/568874994.db2.gz OOGMFPVRJMGIKI-KRWDZBQOSA-N 1 0 407.584 2.423 50 0 HEAARO Cc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c(C)c1 ZINC000299788363 568875652 /nfs/dbraw/zinc/87/56/52/568875652.db2.gz QVGAMVDSGJCKRR-OAQYLSRUSA-N 1 0 413.562 2.383 50 0 HEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)N3CCC[C@H](c4nnc(C)[nH]4)C3)cc2C1 ZINC000534647349 568878813 /nfs/dbraw/zinc/87/88/13/568878813.db2.gz HYKJRZDCSNFLFB-INIZCTEOSA-N 1 0 400.531 2.015 50 0 HEAARO O=C(NCCCc1nc2cc(Cl)ccc2[nH]1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000670439149 568885660 /nfs/dbraw/zinc/88/56/60/568885660.db2.gz CVXVPQYBXKCDJB-CYBMUJFWSA-N 1 0 401.902 2.170 50 0 HEAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(-n2cccn2)cc1 ZINC000670440571 568893838 /nfs/dbraw/zinc/89/38/38/568893838.db2.gz UWTUEMJWYQAJFU-JKJRPBHFSA-N 1 0 413.525 2.170 50 0 HEAARO Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1C ZINC000030876357 568898261 /nfs/dbraw/zinc/89/82/61/568898261.db2.gz KKUOWULPSRWJOG-UHFFFAOYSA-N 1 0 403.548 2.302 50 0 HEAARO CN(CCN1CCCC1=O)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000083860897 568921334 /nfs/dbraw/zinc/92/13/34/568921334.db2.gz BPBSWETVOXNDIV-LJQANCHMSA-N 1 0 406.958 2.147 50 0 HEAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc(-c2ncc[nH]2)c1 ZINC000670455392 568931416 /nfs/dbraw/zinc/93/14/16/568931416.db2.gz RLFXILMSMGNZCJ-CVCZCXRASA-N 1 0 413.525 2.374 50 0 HEAARO Cc1cc(C(=O)NCC2CC[NH+](CCO)CC2)ccc1I ZINC000084090282 568937211 /nfs/dbraw/zinc/93/72/11/568937211.db2.gz GFAONQQRAXKYOP-UHFFFAOYSA-N 1 0 402.276 2.034 50 0 HEAARO NC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cs1 ZINC000015731439 568981901 /nfs/dbraw/zinc/98/19/01/568981901.db2.gz SDIJHAZYVDLTEU-UHFFFAOYSA-N 1 0 411.524 2.177 50 0 HEAARO CC(C)[NH+]1CCC(N2CCN(Cc3nc(-c4ccccc4)no3)C[C@H]2CCO)CC1 ZINC000104642286 569008054 /nfs/dbraw/zinc/00/80/54/569008054.db2.gz QRIMPTZRFRETFP-OAQYLSRUSA-N 1 0 413.566 2.478 50 0 HEAARO Cc1ccccc1S(=O)(=O)N(CCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000015862680 569015957 /nfs/dbraw/zinc/01/59/57/569015957.db2.gz NRNYAIJEKAXMFV-UHFFFAOYSA-N 1 0 419.522 2.147 50 0 HEAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCO)c(=O)cc21 ZINC000002944437 569042739 /nfs/dbraw/zinc/04/27/39/569042739.db2.gz KLSCAHCFZYGZPQ-INIZCTEOSA-N 1 0 400.475 2.351 50 0 biogenic HEAARO COc1ccc([C@@H](CNC(=O)CSc2nnnn2C2CC2)[NH+]2CCCCC2)cc1 ZINC000013021567 569051184 /nfs/dbraw/zinc/05/11/84/569051184.db2.gz FAQXUJIQRKWHMB-GOSISDBHSA-N 1 0 416.551 2.452 50 0 HEAARO COCC[N@H+](C)CCCNC(=O)c1ccnc(Cl)c1I ZINC000089340350 569058625 /nfs/dbraw/zinc/05/86/25/569058625.db2.gz VFEHMOLWVONMPX-UHFFFAOYSA-N 1 0 411.671 2.038 50 0 HEAARO COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000006533270 569064279 /nfs/dbraw/zinc/06/42/79/569064279.db2.gz QSRSZUTWXFDMOP-UHFFFAOYSA-N 1 0 417.413 2.416 50 0 HEAARO Cc1noc(C)c1CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000089529230 569069798 /nfs/dbraw/zinc/06/97/98/569069798.db2.gz HZUWOOJPUUCPIW-UHFFFAOYSA-N 1 0 408.886 2.183 50 0 HEAARO C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000016694633 569070725 /nfs/dbraw/zinc/07/07/25/569070725.db2.gz GGMIAVRJOUKHHI-HXUWFJFHSA-N 1 0 401.532 2.002 50 0 HEAARO CCCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 ZINC000064761498 569091952 /nfs/dbraw/zinc/09/19/52/569091952.db2.gz UQYGMUBKGWOQBL-IBGZPJMESA-N 1 0 417.550 2.039 50 0 HEAARO Cn1c2c(C(=O)Nc3cccnc3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836062 569104523 /nfs/dbraw/zinc/10/45/23/569104523.db2.gz OQYXCKGQNCBOMV-UHFFFAOYSA-N 1 0 414.469 2.239 50 0 HEAARO CC[C@H](C)C(=O)N1CCN([C@@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255095 569120323 /nfs/dbraw/zinc/12/03/23/569120323.db2.gz YJHXPKRMZUVULB-PZJWPPBQSA-N 1 0 406.615 2.338 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)n1C ZINC000064923082 569122652 /nfs/dbraw/zinc/12/26/52/569122652.db2.gz OFXIHKPQLVLESA-UHFFFAOYSA-N 1 0 405.520 2.063 50 0 HEAARO C[C@H](C(=O)NCC[NH+](C)C)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065062101 569166027 /nfs/dbraw/zinc/16/60/27/569166027.db2.gz LZWSLBHJLFCMQQ-LBPRGKRZSA-N 1 0 407.989 2.116 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000036390291 569165475 /nfs/dbraw/zinc/16/54/75/569165475.db2.gz QHLWJFWZGGGMRU-WOJBJXKFSA-N 1 0 405.564 2.139 50 0 HEAARO O=C(c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)N1CC[NH+](C2CCCCC2)CC1 ZINC000169769018 569167255 /nfs/dbraw/zinc/16/72/55/569167255.db2.gz HMQTYAOAJJECGE-UHFFFAOYSA-N 1 0 406.490 2.175 50 0 HEAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Cn1ncc2c3ccccc3[nH]c2c1=O ZINC000006937775 569185163 /nfs/dbraw/zinc/18/51/63/569185163.db2.gz HJSLZEOKQYBFNR-UHFFFAOYSA-N 1 0 403.486 2.468 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)C1CCN(c2cnc(N3CCCCC3)nc2)CC1 ZINC000065166551 569188775 /nfs/dbraw/zinc/18/87/75/569188775.db2.gz KASITLQYHCLAFE-UHFFFAOYSA-N 1 0 400.571 2.285 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209879 569196515 /nfs/dbraw/zinc/19/65/15/569196515.db2.gz XLYUDQMMQWQUGN-UHFFFAOYSA-N 1 0 406.490 2.426 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(C)cc3)CC2)cn1C ZINC000007007089 569199843 /nfs/dbraw/zinc/19/98/43/569199843.db2.gz URHOGUJMCLREHL-UHFFFAOYSA-N 1 0 419.547 2.311 50 0 HEAARO COc1ccc(CC[NH2+]C[C@H](O)COCc2ccc(OC)c(OC)c2)cc1OC ZINC000007015528 569200921 /nfs/dbraw/zinc/20/09/21/569200921.db2.gz WSYFRFFNPZGPDC-SFHVURJKSA-N 1 0 405.491 2.431 50 0 HEAARO CCOC(=O)N1CCN(C(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256240 569208222 /nfs/dbraw/zinc/20/82/22/569208222.db2.gz QCKVKHSXFVJZNB-HXUWFJFHSA-N 1 0 423.517 2.147 50 0 HEAARO Cc1cc(NC(=O)CSCC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)no1 ZINC000036664464 569217332 /nfs/dbraw/zinc/21/73/32/569217332.db2.gz QJQUDJNSQXDQHU-UHFFFAOYSA-N 1 0 402.520 2.389 50 0 HEAARO O=C(Cn1ncc2c1ncnc2N1CCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065294971 569218615 /nfs/dbraw/zinc/21/86/15/569218615.db2.gz GSRBMTDEMKJIGT-UHFFFAOYSA-N 1 0 419.533 2.207 50 0 HEAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCC2)cc1OC ZINC000016959999 569268967 /nfs/dbraw/zinc/26/89/67/569268967.db2.gz TUTXHOWYODSILU-UHFFFAOYSA-N 1 0 415.490 2.499 50 0 HEAARO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CNS(=O)(=O)c1cccs1 ZINC000065936904 569304308 /nfs/dbraw/zinc/30/43/08/569304308.db2.gz JQXCUFDNIHNFHW-UHFFFAOYSA-N 1 0 415.968 2.270 50 0 HEAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000027575308 569374771 /nfs/dbraw/zinc/37/47/71/569374771.db2.gz PDJDTXGONKAFCB-KRWDZBQOSA-N 1 0 413.609 2.309 50 0 HEAARO CC[NH+](CC)[C@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000079070779 569426739 /nfs/dbraw/zinc/42/67/39/569426739.db2.gz JDSQWUMITLOILU-INIZCTEOSA-N 1 0 421.485 2.500 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)c1ccsc1 ZINC000040071017 571151723 /nfs/dbraw/zinc/15/17/23/571151723.db2.gz HGLAQTAOYCZVRG-RCCFBDPRSA-N 1 0 421.563 2.449 50 0 HEAARO NC(=O)C1CC[NH+](CCCCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000040092552 571161560 /nfs/dbraw/zinc/16/15/60/571161560.db2.gz KNXVMNBCYPJFAP-UHFFFAOYSA-N 1 0 403.914 2.437 50 0 HEAARO O=C([C@@H]1CCCO1)N1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244983834 571211466 /nfs/dbraw/zinc/21/14/66/571211466.db2.gz ISRXKEHCIJUSTB-KRWDZBQOSA-N 1 0 412.456 2.392 50 0 HEAARO O=C(Cc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1)N1CCOCC1 ZINC000069529282 571228940 /nfs/dbraw/zinc/22/89/40/571228940.db2.gz VVXKEMTVZQBORB-FQEVSTJZSA-N 1 0 400.523 2.180 50 0 HEAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCCCC4)ncn3n2)cc1 ZINC000009727283 571282490 /nfs/dbraw/zinc/28/24/90/571282490.db2.gz ASDSLNKNVHEFJY-UHFFFAOYSA-N 1 0 422.533 2.113 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)CCC2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000581774259 1078748420 /nfs/dbraw/zinc/74/84/20/1078748420.db2.gz FSZHGCSBXFCQHP-UHFFFAOYSA-N 1 0 418.557 2.212 50 0 HEAARO CCC[NH+]1CCN(C(=O)CCc2ccc3c(c2)CN(C(=O)NC(C)C)CCO3)CC1 ZINC000581800055 1078770397 /nfs/dbraw/zinc/77/03/97/1078770397.db2.gz LNIIBRRDZUIQQW-UHFFFAOYSA-N 1 0 416.566 2.486 50 0 HEAARO COc1ccc(C(=O)N2CCC3(C[C@@H](CN4CCOCC4)[N@H+](C)C3)CC2)cc1F ZINC000581802333 1078771528 /nfs/dbraw/zinc/77/15/28/1078771528.db2.gz FJAKMJMMNSTOCW-SFHVURJKSA-N 1 0 405.514 2.093 50 0 HEAARO Cc1ccc(OCC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C)CC2)CCO3)cc1 ZINC000575314013 1076219868 /nfs/dbraw/zinc/21/98/68/1076219868.db2.gz WYXYFBQDPXNTFK-HXUWFJFHSA-N 1 0 401.551 2.161 50 0 HEAARO O=C1[C@@H]2CCCN2C(=O)N1CCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000000633299 132229525 /nfs/dbraw/zinc/22/95/25/132229525.db2.gz FLFUCNSCWFDBOS-KRWDZBQOSA-N 1 0 421.339 2.388 50 0 HEAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)[C@H]3CCCCN3C2=O)CC1 ZINC000002183633 132249109 /nfs/dbraw/zinc/24/91/09/132249109.db2.gz NMXMKHRTIDKBIR-LJQANCHMSA-N 1 0 400.523 2.414 50 0 HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000008164146 132328218 /nfs/dbraw/zinc/32/82/18/132328218.db2.gz UEOKVTYBWVGUPN-UHFFFAOYSA-N 1 0 416.547 2.136 50 0 HEAARO CCn1c(=O)c2ccccc2n(CC(=O)N(CC[NH+](CC)CC)CC(C)C)c1=O ZINC000032915655 520642188 /nfs/dbraw/zinc/64/21/88/520642188.db2.gz VDALRBNDCZTNLT-UHFFFAOYSA-N 1 0 402.539 2.010 50 0 HEAARO COc1cc(C(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000022765413 522119631 /nfs/dbraw/zinc/11/96/31/522119631.db2.gz UFGDHJWDWMNWQL-QGZVFWFLSA-N 1 0 419.547 2.492 50 0 HEAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCCN1CCOCC1 ZINC000020601131 525608941 /nfs/dbraw/zinc/60/89/41/525608941.db2.gz BQNFKYWIGWYDFG-UHFFFAOYSA-N 1 0 413.566 2.471 50 0 HEAARO CCOc1ccc2nc(N3CCC([NH2+][C@@H]4CCS(=O)(=O)C4)CC3)nc(C)c2c1 ZINC000012212275 535442355 /nfs/dbraw/zinc/44/23/55/535442355.db2.gz BPMXNUMQSSNLGM-MRXNPFEDSA-N 1 0 404.536 2.082 50 0 HEAARO COc1ccccc1[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(N)=O)[NH+]1CCCC1 ZINC000006084812 557016942 /nfs/dbraw/zinc/01/69/42/557016942.db2.gz JHKBGYPXTMVNPC-PMACEKPBSA-N 1 0 410.518 2.228 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022783079 557819685 /nfs/dbraw/zinc/81/96/85/557819685.db2.gz RHWOOXMWTARDMM-FQEVSTJZSA-N 1 0 421.538 2.410 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022783084 557819891 /nfs/dbraw/zinc/81/98/91/557819891.db2.gz RHWOOXMWTARDMM-HXUWFJFHSA-N 1 0 421.538 2.410 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2c(C)cccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022778552 557821405 /nfs/dbraw/zinc/82/14/05/557821405.db2.gz VARYJVLEIDXWDK-OAQYLSRUSA-N 1 0 424.545 2.355 50 0 HEAARO COC(=O)c1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)cc1 ZINC000019840046 558293666 /nfs/dbraw/zinc/29/36/66/558293666.db2.gz LSKDLPFFGQNYGZ-IBGZPJMESA-N 1 0 413.522 2.346 50 0 HEAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccn2-c2ncccn2)CC1)[C@H]1CCOC1 ZINC000011933229 558297920 /nfs/dbraw/zinc/29/79/20/558297920.db2.gz HXBBDBCKJKNRBG-KRWDZBQOSA-N 1 0 421.505 2.276 50 0 HEAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cnnn1 ZINC000012001899 558308377 /nfs/dbraw/zinc/30/83/77/558308377.db2.gz SBOZAWOUFGENNX-UHFFFAOYSA-N 1 0 424.471 2.495 50 0 HEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC ZINC000019972526 558316336 /nfs/dbraw/zinc/31/63/36/558316336.db2.gz YIDPUHCIBUVUHX-SFHVURJKSA-N 1 0 411.458 2.126 50 0 HEAARO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000019973629 558316493 /nfs/dbraw/zinc/31/64/93/558316493.db2.gz PUPJUOFXSFHWKW-OAQYLSRUSA-N 1 0 409.530 2.288 50 0 HEAARO CC(C)[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000020517990 558383065 /nfs/dbraw/zinc/38/30/65/558383065.db2.gz BBJAVEZXMFGKFY-KEXUJGGDSA-N 1 0 407.445 2.402 50 0 HEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 ZINC000012386298 558395012 /nfs/dbraw/zinc/39/50/12/558395012.db2.gz ZNLBJKFMRGRIOK-QGZVFWFLSA-N 1 0 410.478 2.391 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(OC)c1 ZINC000020637140 558396477 /nfs/dbraw/zinc/39/64/77/558396477.db2.gz GVHHKAKNXSXCRW-VQTJNVASSA-N 1 0 407.470 2.460 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020993602 558426245 /nfs/dbraw/zinc/42/62/45/558426245.db2.gz UJRKOXRSRJGQKX-INIZCTEOSA-N 1 0 415.538 2.495 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 ZINC000012704628 558449383 /nfs/dbraw/zinc/44/93/83/558449383.db2.gz GMGDAZXJOPAMQG-IBGZPJMESA-N 1 0 417.550 2.307 50 0 HEAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(OCCO)c2)CC1)[C@@H]1CCOC1 ZINC000012713114 558453827 /nfs/dbraw/zinc/45/38/27/558453827.db2.gz LBNKBDGSAOGYHR-GOSISDBHSA-N 1 0 414.506 2.066 50 0 HEAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)CN3C(=O)CCC3=O)nc21 ZINC000004359746 558457053 /nfs/dbraw/zinc/45/70/53/558457053.db2.gz ONWVJWISHMROPU-UHFFFAOYSA-N 1 0 418.519 2.129 50 0 HEAARO Cc1ncc(CN2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)s1 ZINC000023214988 558542920 /nfs/dbraw/zinc/54/29/20/558542920.db2.gz LHMLZFRHACEVDT-LJQANCHMSA-N 1 0 406.596 2.423 50 0 HEAARO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000013573822 558543106 /nfs/dbraw/zinc/54/31/06/558543106.db2.gz WDEINBOUOXDXJQ-FDGPYGQJSA-N 1 0 401.466 2.156 50 0 HEAARO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023257336 558546438 /nfs/dbraw/zinc/54/64/38/558546438.db2.gz RPZAKXJKXQXFAK-UHFFFAOYSA-N 1 0 404.942 2.320 50 0 HEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C(=O)N1CCCCC1 ZINC000013613015 558548983 /nfs/dbraw/zinc/54/89/83/558548983.db2.gz SCHYYNOCIUYWLL-UHFFFAOYSA-N 1 0 409.552 2.086 50 0 HEAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1cc(=O)c2ccc(Br)cc2o1 ZINC000013690995 558572915 /nfs/dbraw/zinc/57/29/15/558572915.db2.gz DCNGSHJKYCIGQI-UHFFFAOYSA-N 1 0 407.264 2.450 50 0 HEAARO COc1ccc(C[N@@H+](Cc2cccs2)C[C@@H](O)CN2CCOCC2)cc1OC ZINC000023763667 558575229 /nfs/dbraw/zinc/57/52/29/558575229.db2.gz VFURRMWBZJXWIJ-SFHVURJKSA-N 1 0 406.548 2.461 50 0 HEAARO Cn1c(=O)c2c(SCCC[NH+](C)C)nc(-c3ccccc3Cl)nc2n(C)c1=O ZINC000013723826 558583376 /nfs/dbraw/zinc/58/33/76/558583376.db2.gz NDENKGCHSQVRAA-UHFFFAOYSA-N 1 0 419.938 2.391 50 0 HEAARO CS(=O)(=O)NCCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014121502 558622486 /nfs/dbraw/zinc/62/24/86/558622486.db2.gz YXCMCJXOLRNQIH-UHFFFAOYSA-N 1 0 415.559 2.173 50 0 HEAARO CCCNC(=O)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000025230767 558635316 /nfs/dbraw/zinc/63/53/16/558635316.db2.gz WTTZYINTBIIMSK-IBGZPJMESA-N 1 0 408.546 2.299 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccsc1 ZINC000025330768 558638693 /nfs/dbraw/zinc/63/86/93/558638693.db2.gz PFXWOFPTQXRQCR-SFHVURJKSA-N 1 0 407.561 2.493 50 0 HEAARO CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CCN(Cc1nccs1)CC2 ZINC000014538598 558658968 /nfs/dbraw/zinc/65/89/68/558658968.db2.gz AHARXWLOGOSDQQ-UHFFFAOYSA-N 1 0 407.584 2.350 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014542783 558660557 /nfs/dbraw/zinc/66/05/57/558660557.db2.gz RURNEBWKCVHEME-GOSISDBHSA-N 1 0 418.563 2.222 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)cc1 ZINC000014887409 558677798 /nfs/dbraw/zinc/67/77/98/558677798.db2.gz SSOHMWBFLAGTGG-UHFFFAOYSA-N 1 0 423.492 2.457 50 0 HEAARO CC(C)[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000014939366 558679842 /nfs/dbraw/zinc/67/98/42/558679842.db2.gz NGHIUXYSSFTXCR-UHFFFAOYSA-N 1 0 411.543 2.215 50 0 HEAARO COc1ccc2cc(C[NH2+]C[C@H](O)CO)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000014954351 558681893 /nfs/dbraw/zinc/68/18/93/558681893.db2.gz MADLJUGUJXBWRL-KRWDZBQOSA-N 1 0 402.878 2.155 50 0 HEAARO CCc1c(C(=O)NCCn2nc(C)cc2C)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000014990097 558693994 /nfs/dbraw/zinc/69/39/94/558693994.db2.gz AVCJEUQIRXCZRB-UHFFFAOYSA-N 1 0 413.566 2.448 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)o1 ZINC000015001546 558697957 /nfs/dbraw/zinc/69/79/57/558697957.db2.gz ZPFALSXNKUKEAE-UHFFFAOYSA-N 1 0 423.517 2.230 50 0 HEAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)cc1 ZINC000015074122 558714755 /nfs/dbraw/zinc/71/47/55/558714755.db2.gz BEQODJHEOAPXKB-FQEVSTJZSA-N 1 0 416.547 2.368 50 0 HEAARO COc1cccc(C[NH2+]Cc2ccccc2C)c1OC[C@@H](O)CN1CCOCC1 ZINC000015075034 558715571 /nfs/dbraw/zinc/71/55/71/558715571.db2.gz INWBGCHXCZDUOE-NRFANRHFSA-N 1 0 400.519 2.365 50 0 HEAARO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCC(=O)N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000015108589 558723482 /nfs/dbraw/zinc/72/34/82/558723482.db2.gz TYIUACDVEQXMMP-HOTGVXAUSA-N 1 0 413.474 2.326 50 0 HEAARO COc1ccc2c(c1)C[C@H](C(=O)NCCN1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000022938003 558728179 /nfs/dbraw/zinc/72/81/79/558728179.db2.gz OBLFXDPEFQREJV-NRFANRHFSA-N 1 0 409.530 2.180 50 0 HEAARO CC(=O)NCc1ccc(S(=O)(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)s1 ZINC000030422109 558730151 /nfs/dbraw/zinc/73/01/51/558730151.db2.gz ADZITVHQFUVINT-KRWDZBQOSA-N 1 0 401.598 2.419 50 0 HEAARO CSCC[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016022255 558768111 /nfs/dbraw/zinc/76/81/11/558768111.db2.gz KZZWSFLSIRDUQY-LDNFRZNASA-N 1 0 405.495 2.098 50 0 HEAARO CC(C)[C@H](NC(=O)CN1CC[NH+](CCCCO)CC1)c1ccc2c(c1)OCCCO2 ZINC000072308783 558771024 /nfs/dbraw/zinc/77/10/24/558771024.db2.gz GUZCLJFXEOUDHR-QHCPKHFHSA-N 1 0 419.566 2.051 50 0 HEAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCc5ccccc54)n3)c(C)n2)CC1 ZINC000036235753 558798470 /nfs/dbraw/zinc/79/84/70/558798470.db2.gz QXBZPEKSTYJMEY-UHFFFAOYSA-N 1 0 417.517 2.371 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC[NH+]1CCCC1 ZINC000032987739 558807581 /nfs/dbraw/zinc/80/75/81/558807581.db2.gz PFYRKDIEBXALAH-UHFFFAOYSA-N 1 0 421.498 2.048 50 0 HEAARO COc1cccc(C[N@H+](C)CCC2CCOCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000039353963 558820243 /nfs/dbraw/zinc/82/02/43/558820243.db2.gz XYTLGQKJYINABY-OAQYLSRUSA-N 1 0 422.566 2.016 50 0 HEAARO CCC[NH+]1CCN(C(=O)Cn2c(C)ccc(NC(=O)c3ccc(C)cc3)c2=O)CC1 ZINC000097938374 558824689 /nfs/dbraw/zinc/82/46/89/558824689.db2.gz LRYJFHWUIPTLHT-UHFFFAOYSA-N 1 0 410.518 2.272 50 0 HEAARO CC[NH+]1CCN(c2nccc(-c3cnc4nc(-c5ccncc5)nn4c3C)n2)CC1 ZINC000054202027 558866679 /nfs/dbraw/zinc/86/66/79/558866679.db2.gz FMHREGSREOSXEN-UHFFFAOYSA-N 1 0 401.478 2.094 50 0 HEAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]CCc1nc(-c2cccnc2)n[nH]1 ZINC000019335184 558869754 /nfs/dbraw/zinc/86/97/54/558869754.db2.gz DXCKZILUNXZXSW-UHFFFAOYSA-N 1 0 424.896 2.202 50 0 HEAARO NC(=O)CCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055227013 558876770 /nfs/dbraw/zinc/87/67/70/558876770.db2.gz REXQKOBCMSFUKJ-KRWDZBQOSA-N 1 0 412.456 2.084 50 0 HEAARO COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C(C)C)c1 ZINC000060524425 558905196 /nfs/dbraw/zinc/90/51/96/558905196.db2.gz FEQQPXLECBVUBP-JXFKEZNVSA-N 1 0 405.539 2.449 50 0 HEAARO Cn1cc(Cl)c(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071575614 558905534 /nfs/dbraw/zinc/90/55/34/558905534.db2.gz ALGQQKZJDSIIEY-OAHLLOKOSA-N 1 0 407.946 2.013 50 0 HEAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000058166236 558906951 /nfs/dbraw/zinc/90/69/51/558906951.db2.gz GNDIWIHDBCRDFG-YYWHXJBOSA-N 1 0 415.582 2.445 50 0 HEAARO C[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccc(F)cc2F)CC1 ZINC000058168304 558907633 /nfs/dbraw/zinc/90/76/33/558907633.db2.gz BYMNEDRLAOGHJP-NRFANRHFSA-N 1 0 418.488 2.245 50 0 HEAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1 ZINC000019526422 558907673 /nfs/dbraw/zinc/90/76/73/558907673.db2.gz XOSPCDATRDYJKN-UHFFFAOYSA-N 1 0 404.902 2.291 50 0 HEAARO O=C(NC[C@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000058297357 558917388 /nfs/dbraw/zinc/91/73/88/558917388.db2.gz XWUFCHHOBGXQAD-PZJWPPBQSA-N 1 0 402.539 2.141 50 0 HEAARO O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccccc2)CC1)c1ccccc1 ZINC000019690767 558960104 /nfs/dbraw/zinc/96/01/04/558960104.db2.gz VKLRYNRORSWXRK-UHFFFAOYSA-N 1 0 408.546 2.244 50 0 HEAARO CC(=O)Nc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccc(C)cc2)cc1 ZINC000065314931 558970875 /nfs/dbraw/zinc/97/08/75/558970875.db2.gz HPERYHIOLSKPNF-UHFFFAOYSA-N 1 0 422.529 2.418 50 0 HEAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000065362301 558972989 /nfs/dbraw/zinc/97/29/89/558972989.db2.gz OIYVCEQRJMSFJO-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000065362954 558973950 /nfs/dbraw/zinc/97/39/50/558973950.db2.gz UONKGMNNZQWOEG-UHFFFAOYSA-N 1 0 423.489 2.174 50 0 HEAARO C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000072434082 558979692 /nfs/dbraw/zinc/97/96/92/558979692.db2.gz GTAUUQDCRZTRGY-INIZCTEOSA-N 1 0 413.971 2.092 50 0 HEAARO Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)c1 ZINC000072446707 558982365 /nfs/dbraw/zinc/98/23/65/558982365.db2.gz FKBMDOSCDSRNLH-LJQANCHMSA-N 1 0 421.607 2.385 50 0 HEAARO CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000067604909 558988774 /nfs/dbraw/zinc/98/87/74/558988774.db2.gz VFYOIEQMLIPDFN-UHFFFAOYSA-N 1 0 409.552 2.160 50 0 HEAARO Cc1ccccc1N(CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000067629752 558990277 /nfs/dbraw/zinc/99/02/77/558990277.db2.gz XBYNBQCWHSDAKW-UHFFFAOYSA-N 1 0 416.547 2.152 50 0 HEAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000067675111 558991140 /nfs/dbraw/zinc/99/11/40/558991140.db2.gz DXFCOGUQEGYHHW-MRXNPFEDSA-N 1 0 419.957 2.234 50 0 HEAARO CC[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000022457238 558995300 /nfs/dbraw/zinc/99/53/00/558995300.db2.gz DVYOJEXFPKIDKK-IBGZPJMESA-N 1 0 408.955 2.392 50 0 HEAARO CC[NH+]1CCN(CCCN2CC3(CCN(C(=O)CC(C)(C)C)CC3)OC2=O)CC1 ZINC000077357645 559002442 /nfs/dbraw/zinc/00/24/42/559002442.db2.gz CJCXTRZCVMUBHN-UHFFFAOYSA-N 1 0 408.587 2.264 50 0 HEAARO [NH3+][C@H]1CCCCN(Cc2ccc(C(=O)NCc3cnc4ccccc4c3)c(=O)[nH]2)C1 ZINC000077388588 559003358 /nfs/dbraw/zinc/00/33/58/559003358.db2.gz WENBOEQORBUGOL-SFHVURJKSA-N 1 0 405.502 2.166 50 0 HEAARO C[C@@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2C1 ZINC000077407327 559004219 /nfs/dbraw/zinc/00/42/19/559004219.db2.gz USWHDBYCKVQICB-CYBMUJFWSA-N 1 0 407.923 2.050 50 0 HEAARO CCC(=O)N(C)CCc1noc(-c2ccc(C(=O)NCC[NH+](CC)CC)cc2)n1 ZINC000033273586 559034080 /nfs/dbraw/zinc/03/40/80/559034080.db2.gz JARDRDMAQMAEPF-UHFFFAOYSA-N 1 0 401.511 2.219 50 0 HEAARO O=C(CC(F)(F)F)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082097936 559037712 /nfs/dbraw/zinc/03/77/12/559037712.db2.gz XCCPAXATDYYEQS-MRXNPFEDSA-N 1 0 412.456 2.353 50 0 HEAARO O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082098002 559037799 /nfs/dbraw/zinc/03/77/99/559037799.db2.gz IIFURDAFTCZTRX-NRFANRHFSA-N 1 0 414.594 2.427 50 0 HEAARO Cc1ncc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082121532 559039559 /nfs/dbraw/zinc/03/95/59/559039559.db2.gz SPUXPBCSKGHPGZ-FQEVSTJZSA-N 1 0 408.550 2.173 50 0 HEAARO Cc1nc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)no1 ZINC000082136790 559040355 /nfs/dbraw/zinc/04/03/55/559040355.db2.gz FJXRJQLYLCTTLS-HXUWFJFHSA-N 1 0 411.550 2.413 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082147156 559040846 /nfs/dbraw/zinc/04/08/46/559040846.db2.gz GAJJFJGAWYPAOE-LJQANCHMSA-N 1 0 413.566 2.480 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000082156486 559041373 /nfs/dbraw/zinc/04/13/73/559041373.db2.gz WASBMRONKZZZDR-IBGZPJMESA-N 1 0 407.518 2.110 50 0 HEAARO O=C(NCC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082167370 559042204 /nfs/dbraw/zinc/04/22/04/559042204.db2.gz JXVIQJGNYJNJAA-NRFANRHFSA-N 1 0 414.594 2.427 50 0 HEAARO Cc1ncn(-c2cc(NCCNS(=O)(=O)c3cccc(C)c3)[nH+]c(C)n2)c1C ZINC000082230472 559042736 /nfs/dbraw/zinc/04/27/36/559042736.db2.gz HFXJDUKAJREFCW-UHFFFAOYSA-N 1 0 400.508 2.286 50 0 HEAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000095518947 559084841 /nfs/dbraw/zinc/08/48/41/559084841.db2.gz YUTHJNMAQZRIRN-UHFFFAOYSA-N 1 0 402.539 2.379 50 0 HEAARO COc1ccc(CN(C)Cc2cnn(C)c2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095520483 559085075 /nfs/dbraw/zinc/08/50/75/559085075.db2.gz AFXJIAPZOVZXDE-HXUWFJFHSA-N 1 0 402.539 2.205 50 0 HEAARO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014171393 559154941 /nfs/dbraw/zinc/15/49/41/559154941.db2.gz BXVDQWDMMIYSDQ-HNNXBMFYSA-N 1 0 412.515 2.348 50 0 HEAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1 ZINC000005147916 559252748 /nfs/dbraw/zinc/25/27/48/559252748.db2.gz LXPRCZCJGANBDO-UHFFFAOYSA-N 1 0 424.549 2.092 50 0 HEAARO COc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCCC3)cc1 ZINC000005254408 560551935 /nfs/dbraw/zinc/55/19/35/560551935.db2.gz USTGDLQYOYNPST-UHFFFAOYSA-N 1 0 416.547 2.423 50 0 HEAARO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)[NH2+][C@@]32c3ccccc3NC2=O)cc1 ZINC000018191500 560782048 /nfs/dbraw/zinc/78/20/48/560782048.db2.gz HYEGWQYYXAEAMH-XHOYROJHSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO CC[NH+]1CCN(c2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2C)CC1 ZINC000102120176 560807640 /nfs/dbraw/zinc/80/76/40/560807640.db2.gz DTSDTHGDMBBZOI-BGYRXZFFSA-N 1 0 424.545 2.417 50 0 HEAARO CN1OC[C@H](S(=O)(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1c1ccccc1F ZINC000105024849 560860224 /nfs/dbraw/zinc/86/02/24/560860224.db2.gz GPLJCJGEHOWURL-SFTDATJTSA-N 1 0 419.522 2.260 50 0 HEAARO CSc1nnnn1-c1cccc(NC(=O)N(CC[NH+](C)C)Cc2cccnc2)c1 ZINC000048237071 568433066 /nfs/dbraw/zinc/43/30/66/568433066.db2.gz HLMSQYLJHUPMFT-UHFFFAOYSA-N 1 0 412.523 2.375 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000020284065 568596881 /nfs/dbraw/zinc/59/68/81/568596881.db2.gz RLQHEAKHHIFDLV-UZLBHIALSA-N 1 0 400.523 2.274 50 0 HEAARO Cc1nnc2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCN(c5ccccn5)CC4)C3)cn12 ZINC000095393613 568604402 /nfs/dbraw/zinc/60/44/02/568604402.db2.gz IFIZWSALICRMQP-IBGZPJMESA-N 1 0 419.533 2.107 50 0 HEAARO Cn1c2ccccc2c2cnn(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c(=O)c21 ZINC000020415701 568605962 /nfs/dbraw/zinc/60/59/62/568605962.db2.gz IPVBZSUECBWYOK-UHFFFAOYSA-N 1 0 407.518 2.365 50 0 HEAARO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)c2sccc2Br)CC1 ZINC000095433019 568609363 /nfs/dbraw/zinc/60/93/63/568609363.db2.gz XSDYVZGFCWOPIF-NSHDSACASA-N 1 0 411.387 2.224 50 0 HEAARO CC(=O)N1CCc2cc(S(=O)(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)ccc21 ZINC000095963641 568670548 /nfs/dbraw/zinc/67/05/48/568670548.db2.gz DTSNZJOOFFPBJX-IBGZPJMESA-N 1 0 401.532 2.047 50 0 HEAARO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013549 568685350 /nfs/dbraw/zinc/68/53/50/568685350.db2.gz YBXGYLJQLDPEAN-QUCCMNQESA-N 1 0 405.539 2.113 50 0 HEAARO CC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)CC1 ZINC000096224098 568706648 /nfs/dbraw/zinc/70/66/48/568706648.db2.gz GAYNFMHECWDWCP-UHFFFAOYSA-N 1 0 411.531 2.399 50 0 HEAARO C[C@H](CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000021534302 568711645 /nfs/dbraw/zinc/71/16/45/568711645.db2.gz YZULPJRCEMQHBO-QGZVFWFLSA-N 1 0 421.588 2.364 50 0 HEAARO O=C(NCCc1ccc(F)cc1)[C@H]1Cc2ccccc2CN1C[C@@H](O)Cn1cccn1 ZINC000229509183 568714388 /nfs/dbraw/zinc/71/43/88/568714388.db2.gz URCQFADFTCQVQV-DHIUTWEWSA-N 1 0 422.504 2.169 50 0 HEAARO CC1CC[NH+](CCNC(=O)Cn2c3cccnc3n(-c3ccc(F)cc3)c2=O)CC1 ZINC000096385823 568742102 /nfs/dbraw/zinc/74/21/02/568742102.db2.gz MWOHKOUCMKTCRA-UHFFFAOYSA-N 1 0 411.481 2.174 50 0 HEAARO C[C@@H]1C[N@H+](C)CC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000052198041 568759576 /nfs/dbraw/zinc/75/95/76/568759576.db2.gz NDUVVMIZMQMBOB-IERDGZPVSA-N 1 0 419.591 2.032 50 0 HEAARO COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000097272329 568771405 /nfs/dbraw/zinc/77/14/05/568771405.db2.gz AHZKKWXSIKTQGU-HKWRFOASSA-N 1 0 403.548 2.174 50 0 HEAARO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000057415900 568833946 /nfs/dbraw/zinc/83/39/46/568833946.db2.gz OQBXNSNJVMQZQE-IBGZPJMESA-N 1 0 418.563 2.479 50 0 HEAARO Cc1c(C[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)cnn1C ZINC000299759030 568873207 /nfs/dbraw/zinc/87/32/07/568873207.db2.gz GQVHWVQAGOYXGR-OAQYLSRUSA-N 1 0 416.497 2.138 50 0 HEAARO COc1ncccc1C(=O)N1CCOc2ccc(C[N@@H+]3CCCC[C@H]3CO)cc2C1 ZINC000299765961 568873773 /nfs/dbraw/zinc/87/37/73/568873773.db2.gz YLYFNTCSLDSXQZ-IBGZPJMESA-N 1 0 411.502 2.472 50 0 HEAARO Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000058014849 568876155 /nfs/dbraw/zinc/87/61/55/568876155.db2.gz WXOXNCPTDBOYOP-UHFFFAOYSA-N 1 0 417.513 2.417 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000263586297 568879281 /nfs/dbraw/zinc/87/92/81/568879281.db2.gz SJYJJLZXKFNEDG-QKNQBKEWSA-N 1 0 417.550 2.368 50 0 biogenic HEAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cc(F)c(F)cc1F ZINC000670438247 568883503 /nfs/dbraw/zinc/88/35/03/568883503.db2.gz ORGDTAHFBRXDDS-ZWZMAAFHSA-N 1 0 401.432 2.401 50 0 HEAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc(S(N)(=O)=O)c1C ZINC000670440192 568891946 /nfs/dbraw/zinc/89/19/46/568891946.db2.gz YEXILRSBIPSPPQ-MRXNPFEDSA-N 1 0 407.561 2.407 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000004090899 568942270 /nfs/dbraw/zinc/94/22/70/568942270.db2.gz QMLNGBPKBHKELV-RUNWAEEFSA-N 1 0 415.877 2.494 50 0 biogenic HEAARO Cc1ccc(N2CCCn3c4c(nc32)n(C)c(=O)n(CC[NH+]2CCCCC2)c4=O)cc1 ZINC000004249158 568954114 /nfs/dbraw/zinc/95/41/14/568954114.db2.gz XNVHMQFKSOAKDU-UHFFFAOYSA-N 1 0 422.533 2.233 50 0 HEAARO CCCCCn1c(N2CC[NH+](Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316430 568962144 /nfs/dbraw/zinc/96/21/44/568962144.db2.gz XMBZOQWMKDWKOE-UHFFFAOYSA-N 1 0 424.549 2.244 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@@H+]3CCc4ccccc4C3)C2)c[nH]1 ZINC000015731740 568981734 /nfs/dbraw/zinc/98/17/34/568981734.db2.gz QIMQCAQWWMDPSO-MRXNPFEDSA-N 1 0 417.531 2.260 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000012421772 568991166 /nfs/dbraw/zinc/99/11/66/568991166.db2.gz OWMDPSGCSJAQMJ-INIZCTEOSA-N 1 0 409.552 2.084 50 0 HEAARO COc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)[nH+]2)c(C)c1C ZINC000038488309 568997618 /nfs/dbraw/zinc/99/76/18/568997618.db2.gz ZRSKAXDMMAVMKF-UHFFFAOYSA-N 1 0 419.551 2.401 50 0 HEAARO CCCC[N@H+](CC)CCNC(=O)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000015777357 569000301 /nfs/dbraw/zinc/00/03/01/569000301.db2.gz WNEUILWUJSYCFQ-UHFFFAOYSA-N 1 0 422.599 2.120 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C1CCN(c2ncccn2)CC1 ZINC000583652904 569009311 /nfs/dbraw/zinc/00/93/11/569009311.db2.gz SKWVAMXOLBQJSB-SFTDATJTSA-N 1 0 415.582 2.433 50 0 HEAARO O=S(=O)(c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc1)N1CCOCC1 ZINC000012850408 569010390 /nfs/dbraw/zinc/01/03/90/569010390.db2.gz ADZXHAQKWDXVFH-QGZVFWFLSA-N 1 0 422.576 2.413 50 0 HEAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1 ZINC000015861277 569015431 /nfs/dbraw/zinc/01/54/31/569015431.db2.gz YYNXHCMWOWLTQL-UHFFFAOYSA-N 1 0 407.536 2.264 50 0 HEAARO CCOc1cccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000015864164 569016476 /nfs/dbraw/zinc/01/64/76/569016476.db2.gz NSISWIYMMZIMQV-UHFFFAOYSA-N 1 0 417.456 2.438 50 0 HEAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cn2)CC1 ZINC000012918228 569022705 /nfs/dbraw/zinc/02/27/05/569022705.db2.gz FVHNCKRHSAUIOB-OAHLLOKOSA-N 1 0 413.909 2.478 50 0 HEAARO O=C(Cn1cccc(C(F)(F)F)c1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000012945668 569029004 /nfs/dbraw/zinc/02/90/04/569029004.db2.gz IJDABLYDWHMRJB-UHFFFAOYSA-N 1 0 401.429 2.018 50 0 HEAARO Cc1nc(-c2ccc(S(=O)(=O)NCC3CC[NH+]([C@@H]4CCOC4)CC3)cc2)co1 ZINC000575605267 569032063 /nfs/dbraw/zinc/03/20/63/569032063.db2.gz CDAVFQPASPSLIV-GOSISDBHSA-N 1 0 405.520 2.429 50 0 HEAARO O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000035360366 569033648 /nfs/dbraw/zinc/03/36/48/569033648.db2.gz WFOSQGWXPHKAPA-IBGZPJMESA-N 1 0 407.470 2.307 50 0 HEAARO CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000035416498 569036059 /nfs/dbraw/zinc/03/60/59/569036059.db2.gz CHZLBRDLVTWGCE-UHFFFAOYSA-N 1 0 407.561 2.347 50 0 HEAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000228968489 569040353 /nfs/dbraw/zinc/04/03/53/569040353.db2.gz KYGDFRZXJUQQBF-XMSQKQJNSA-N 1 0 413.562 2.313 50 0 HEAARO O=c1cc(C[NH+]2CCCCCC2)oc(CN2CCN(Cc3cccnc3)CC2)c1O ZINC000253413318 569051481 /nfs/dbraw/zinc/05/14/81/569051481.db2.gz UMABNRUJLIRGEG-UHFFFAOYSA-N 1 0 412.534 2.434 50 0 HEAARO O=C(CCN(CC[NH+]1CCCCC1)C(=O)c1cnccn1)NCc1ccc(F)cc1 ZINC000035819312 569061472 /nfs/dbraw/zinc/06/14/72/569061472.db2.gz DETKXVCNFSBMKW-UHFFFAOYSA-N 1 0 413.497 2.250 50 0 HEAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1C ZINC000064459837 569062997 /nfs/dbraw/zinc/06/29/97/569062997.db2.gz MOMYBSBHIRKLOC-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO Cc1noc(C)c1CN1CCc2c(C(=O)NCC3(O)CC[NH+](C)CC3)csc2C1 ZINC000426697606 569073937 /nfs/dbraw/zinc/07/39/37/569073937.db2.gz WYSHKPBTYSZYIM-UHFFFAOYSA-N 1 0 418.563 2.098 50 0 HEAARO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)nc2sc(N3CCCCCC3)nn21 ZINC000064836633 569104946 /nfs/dbraw/zinc/10/49/46/569104946.db2.gz URQUAGVXEKATKP-UHFFFAOYSA-N 1 0 418.567 2.137 50 0 HEAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)C[C@H](C)CC3 ZINC000006759645 569113155 /nfs/dbraw/zinc/11/31/55/569113155.db2.gz SCIVYYZPGYTHOB-CQSZACIVSA-N 1 0 419.547 2.008 50 0 HEAARO Cn1cnc2c(C(=O)N3CC[NH+](C4CCCCC4)CC3)nn(-c3ccccc3)c2c1=O ZINC000064998208 569149922 /nfs/dbraw/zinc/14/99/22/569149922.db2.gz SBQXMMATVCOOFZ-UHFFFAOYSA-N 1 0 420.517 2.210 50 0 HEAARO C[NH+](C)[C@@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369834 569153792 /nfs/dbraw/zinc/15/37/92/569153792.db2.gz QHZKNAZWHFFRKC-DHLKQENFSA-N 1 0 412.493 2.354 50 0 HEAARO CC(C)C[NH+]1CCN(Cc2nc(-c3ccc(N4CCSCC4)nc3)no2)CC1 ZINC000065216475 569197813 /nfs/dbraw/zinc/19/78/13/569197813.db2.gz MVJHZUAGIMUFFT-UHFFFAOYSA-N 1 0 402.568 2.458 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccc(F)c3)CC2)cn1C ZINC000007007121 569199904 /nfs/dbraw/zinc/19/99/04/569199904.db2.gz UHZZUMMUNQCKGF-UHFFFAOYSA-N 1 0 423.510 2.141 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1 ZINC000065314116 569223218 /nfs/dbraw/zinc/22/32/18/569223218.db2.gz UAMUJJSZEOTHHG-OAQYLSRUSA-N 1 0 423.561 2.110 50 0 HEAARO CC(C)c1nc(S(=O)(=O)NCC2CC[NH+](C3CCSCC3)CC2)cn1C ZINC000239593098 569235563 /nfs/dbraw/zinc/23/55/63/569235563.db2.gz DOTVTJNTQBNFGL-UHFFFAOYSA-N 1 0 400.614 2.429 50 0 HEAARO Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)CC2=O)c1C ZINC000014519958 569260299 /nfs/dbraw/zinc/26/02/99/569260299.db2.gz IRVKCEOIERFHIY-SFHVURJKSA-N 1 0 407.518 2.442 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012319 569271505 /nfs/dbraw/zinc/27/15/05/569271505.db2.gz MQUAVCRPQDUHEH-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000252452395 569286407 /nfs/dbraw/zinc/28/64/07/569286407.db2.gz GNDIWIHDBCRDFG-UIFIKXQLSA-N 1 0 415.582 2.445 50 0 HEAARO Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000002138724 569287583 /nfs/dbraw/zinc/28/75/83/569287583.db2.gz LNUBQOFWFSORMC-LPHOPBHVSA-N 1 0 402.539 2.050 50 0 biogenic HEAARO COc1ccc(NC(=O)C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1OC ZINC000252537750 569293088 /nfs/dbraw/zinc/29/30/88/569293088.db2.gz MFRBHWOQTLJTDU-UHFFFAOYSA-N 1 0 421.563 2.366 50 0 HEAARO CCCNC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581820197 569321076 /nfs/dbraw/zinc/32/10/76/569321076.db2.gz XLULRFCJKMWXHU-IBGZPJMESA-N 1 0 401.555 2.337 50 0 HEAARO COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H]([NH2+]C(C)C)[C@H](O)C4)c23)c1 ZINC000095635380 569359129 /nfs/dbraw/zinc/35/91/29/569359129.db2.gz HKIDRHKBKJQADK-WOJBJXKFSA-N 1 0 410.522 2.415 50 0 HEAARO CO[C@H](C)c1noc(CN2CCC[N@H+](CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000079022046 569424403 /nfs/dbraw/zinc/42/44/03/569424403.db2.gz SZMLVISSRVZBKE-QGZVFWFLSA-N 1 0 413.522 2.264 50 0 HEAARO CCOc1cc(CNc2ccn(CC[NH+](C)C)n2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000079093381 569427144 /nfs/dbraw/zinc/42/71/44/569427144.db2.gz BYGKMLWRDQMBKL-INIZCTEOSA-N 1 0 403.527 2.311 50 0 HEAARO Cn1c(CN2CCOCC2)cc(=O)c(O)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000079488542 569432319 /nfs/dbraw/zinc/43/23/19/569432319.db2.gz DQZSLIHSTOFNDE-UHFFFAOYSA-N 1 0 411.546 2.378 50 0 HEAARO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000067286648 571064589 /nfs/dbraw/zinc/06/45/89/571064589.db2.gz MNYMROQJRQLXOL-NRFANRHFSA-N 1 0 412.534 2.418 50 0 HEAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008734781 571109573 /nfs/dbraw/zinc/10/95/73/571109573.db2.gz CXEUJWRPZPBLNN-QGZVFWFLSA-N 1 0 411.502 2.407 50 0 HEAARO CC1CC[NH+]([C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccs2)CC1 ZINC000040039897 571142271 /nfs/dbraw/zinc/14/22/71/571142271.db2.gz KDAZBDVCQPRDMJ-IXDOHACOSA-N 1 0 401.598 2.465 50 0 HEAARO CC1(C)CC(NC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC(C)(C)[NH2+]1 ZINC000009476941 571261637 /nfs/dbraw/zinc/26/16/37/571261637.db2.gz QGNZUMVQTPAHBG-SFHVURJKSA-N 1 0 414.550 2.355 50 0 HEAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCCC4)nc(C)n3n2)cc1 ZINC000009727753 571282569 /nfs/dbraw/zinc/28/25/69/571282569.db2.gz PNPXUMMLLWORFA-UHFFFAOYSA-N 1 0 422.533 2.031 50 0 HEAARO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 ZINC000010413566 571302211 /nfs/dbraw/zinc/30/22/11/571302211.db2.gz XWTWARYHYRUIPO-UHFFFAOYSA-N 1 0 418.519 2.082 50 0 HEAARO O=C(CN1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O)NCC[NH+]1CCCCCC1 ZINC000039265924 571317710 /nfs/dbraw/zinc/31/77/10/571317710.db2.gz DQHTWESHWRWRRX-HXUWFJFHSA-N 1 0 412.534 2.020 50 0 HEAARO CN(C(=O)c1ccc(CC2CCN(S(C)(=O)=O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000581805211 1078781655 /nfs/dbraw/zinc/78/16/55/1078781655.db2.gz FFAUSDUDTBISHV-UHFFFAOYSA-N 1 0 407.580 2.067 50 0 HEAARO C[NH+]1CCN(c2ccccc2NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000008194090 132328672 /nfs/dbraw/zinc/32/86/72/132328672.db2.gz XPVBXPWGYCIQKF-UHFFFAOYSA-N 1 0 406.486 2.453 50 0 HEAARO COC(=O)CCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3OC)CC2)C1 ZINC000015065111 132461143 /nfs/dbraw/zinc/46/11/43/132461143.db2.gz XEZATQMSAGLIBH-GOSISDBHSA-N 1 0 403.523 2.152 50 0 HEAARO CCC[NH+]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 ZINC000045610101 519855473 /nfs/dbraw/zinc/85/54/73/519855473.db2.gz YYTNYNSTNFQKCO-UHFFFAOYSA-N 1 0 400.292 2.262 50 0 HEAARO COc1cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc(OC)c1OC ZINC000045966656 522062564 /nfs/dbraw/zinc/06/25/64/522062564.db2.gz JWAJURFVMZCVPC-UHFFFAOYSA-N 1 0 421.538 2.023 50 0 HEAARO CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1 ZINC000045974823 524010705 /nfs/dbraw/zinc/01/07/05/524010705.db2.gz UGNZXWIESSORGZ-UHFFFAOYSA-N 1 0 415.559 2.180 50 0 HEAARO O=C(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 ZINC000044849575 526487081 /nfs/dbraw/zinc/48/70/81/526487081.db2.gz WRZPIJFFUQRPFG-RMKNXTFCSA-N 1 0 419.573 2.451 50 0 HEAARO NC(=O)[C@@H]1CC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)=NN1c1ccccc1 ZINC000032772372 526958953 /nfs/dbraw/zinc/95/89/53/526958953.db2.gz ONLRHEJXXVVRJQ-LEWJYISDSA-N 1 0 405.502 2.060 50 0 HEAARO NC(=O)[C@H]1CC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)=NN1c1ccccc1 ZINC000032772373 526998028 /nfs/dbraw/zinc/99/80/28/526998028.db2.gz ONLRHEJXXVVRJQ-NHCUHLMSSA-N 1 0 405.502 2.060 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000002227468 535503056 /nfs/dbraw/zinc/50/30/56/535503056.db2.gz GJZQWFUJWDYITH-VQTJNVASSA-N 1 0 406.486 2.215 50 0 HEAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CCC([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000022640031 557490210 /nfs/dbraw/zinc/49/02/10/557490210.db2.gz FMZMNTFAXSBHDB-OAHLLOKOSA-N 1 0 400.527 2.239 50 0 HEAARO COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCC[NH+](C)C)cc1OC ZINC000004803870 557598964 /nfs/dbraw/zinc/59/89/64/557598964.db2.gz DKYYAJRAWBFMIK-RGEXLXHISA-N 1 0 411.502 2.461 50 0 HEAARO CCOc1c(Br)cc(C[NH2+]CCSc2nnnn2C)cc1OC ZINC000008253345 557778076 /nfs/dbraw/zinc/77/80/76/557778076.db2.gz GCBNSNHUJPDHCG-UHFFFAOYSA-N 1 0 402.318 2.262 50 0 HEAARO COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022767162 557814983 /nfs/dbraw/zinc/81/49/83/557814983.db2.gz BJAFGWQLDKRVHW-QGZVFWFLSA-N 1 0 409.577 2.332 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1C ZINC000022767146 557815030 /nfs/dbraw/zinc/81/50/30/557815030.db2.gz NTWAGUNRFAOZJK-SFHVURJKSA-N 1 0 409.577 2.332 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)c2ccc(F)cc2)CC1 ZINC000022795833 557822812 /nfs/dbraw/zinc/82/28/12/557822812.db2.gz ZLBKTRNRCVAXTD-OAQYLSRUSA-N 1 0 416.541 2.237 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000022796571 557823353 /nfs/dbraw/zinc/82/33/53/557823353.db2.gz SZIUWQBXUNNKOM-QFIPXVFZSA-N 1 0 412.578 2.406 50 0 HEAARO COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C ZINC000022822081 557832968 /nfs/dbraw/zinc/83/29/68/557832968.db2.gz NPLQNYIAWUPBRR-UHFFFAOYSA-N 1 0 423.517 2.347 50 0 HEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1C(=O)N1CCCCCC1 ZINC000010450168 558257622 /nfs/dbraw/zinc/25/76/22/558257622.db2.gz ZBEUNTGJCUYRIF-UHFFFAOYSA-N 1 0 423.579 2.476 50 0 HEAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000011786386 558276172 /nfs/dbraw/zinc/27/61/72/558276172.db2.gz JQEFRKPKLFVHSH-INIZCTEOSA-N 1 0 408.506 2.098 50 0 HEAARO C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000011872317 558290379 /nfs/dbraw/zinc/29/03/79/558290379.db2.gz QMRLKRRPUAORKB-OAHLLOKOSA-N 1 0 401.486 2.079 50 0 HEAARO COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000011911535 558296922 /nfs/dbraw/zinc/29/69/22/558296922.db2.gz USDHNGNERPWZBT-INIZCTEOSA-N 1 0 413.522 2.202 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1OC ZINC000012035507 558311905 /nfs/dbraw/zinc/31/19/05/558311905.db2.gz ZQFZLYWJMULULG-OAHLLOKOSA-N 1 0 401.511 2.187 50 0 HEAARO CCC(CC)C[N@@H+]1C[C@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccs1 ZINC000012037889 558312401 /nfs/dbraw/zinc/31/24/01/558312401.db2.gz IFYCNGQGYRXTAT-QAPCUYQASA-N 1 0 419.551 2.494 50 0 HEAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000012073232 558318264 /nfs/dbraw/zinc/31/82/64/558318264.db2.gz QTNFNECRELNVKX-QFIPXVFZSA-N 1 0 403.498 2.271 50 0 HEAARO COCC[NH+]1CCC(CN(C)c2nc3nonc3nc2NCc2ccccc2)CC1 ZINC000012432772 558407110 /nfs/dbraw/zinc/40/71/10/558407110.db2.gz UFBIJBOJFBCAMY-UHFFFAOYSA-N 1 0 411.510 2.420 50 0 HEAARO NC(=O)CCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012442358 558412636 /nfs/dbraw/zinc/41/26/36/558412636.db2.gz WSRPVOOGIOPUDR-IBGZPJMESA-N 1 0 405.514 2.311 50 0 HEAARO COc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1C ZINC000020783283 558413077 /nfs/dbraw/zinc/41/30/77/558413077.db2.gz FVKRLWFDJDDDMG-UHFFFAOYSA-N 1 0 420.517 2.287 50 0 HEAARO CC(C)Oc1ccc(CN2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000012448264 558415381 /nfs/dbraw/zinc/41/53/81/558415381.db2.gz ABEQMYIYALTVED-DHIUTWEWSA-N 1 0 413.562 2.471 50 0 HEAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCC[C@H]1CO ZINC000020858626 558417609 /nfs/dbraw/zinc/41/76/09/558417609.db2.gz PDGLAJRKCNVKRJ-IBGZPJMESA-N 1 0 412.534 2.492 50 0 HEAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)nc(C3CCCCC3)nc2n(C)c1=O ZINC000004341295 558424984 /nfs/dbraw/zinc/42/49/84/558424984.db2.gz NKNATUNQPPTFPU-UHFFFAOYSA-N 1 0 403.552 2.263 50 0 HEAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1ccccc1)CC2 ZINC000020999887 558428258 /nfs/dbraw/zinc/42/82/58/558428258.db2.gz LNKUOCLDUMQZML-UHFFFAOYSA-N 1 0 405.502 2.074 50 0 HEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)n2)CC1 ZINC000021035202 558429838 /nfs/dbraw/zinc/42/98/38/558429838.db2.gz YAOHDXPCCCDGAX-UHFFFAOYSA-N 1 0 415.494 2.205 50 0 HEAARO CC[NH+]1CCN(C2=N[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC(=O)N2)CC1 ZINC000021122887 558431422 /nfs/dbraw/zinc/43/14/22/558431422.db2.gz CGIAPHYIDRJREW-FQEVSTJZSA-N 1 0 421.501 2.299 50 0 HEAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1OC ZINC000012712859 558453611 /nfs/dbraw/zinc/45/36/11/558453611.db2.gz MTRPSJMEARQLCZ-QHCPKHFHSA-N 1 0 415.534 2.141 50 0 HEAARO COc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012716792 558455656 /nfs/dbraw/zinc/45/56/56/558455656.db2.gz HOXDCMVQHBDCTP-QGZVFWFLSA-N 1 0 403.523 2.284 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000023187956 558541396 /nfs/dbraw/zinc/54/13/96/558541396.db2.gz IHGFGGIVBJUKMS-UHFFFAOYSA-N 1 0 409.552 2.084 50 0 HEAARO Cn1cnnc1SCC[NH2+]C1CCN(c2cccc(N3CCCC3=O)c2)CC1 ZINC000023231647 558543918 /nfs/dbraw/zinc/54/39/18/558543918.db2.gz YICZDJUZOVXQKE-UHFFFAOYSA-N 1 0 400.552 2.293 50 0 HEAARO Cn1c(=O)c2c(SCCC[NH+](C)C)nc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000013723608 558583138 /nfs/dbraw/zinc/58/31/38/558583138.db2.gz LUWVCRNQWOVYLC-UHFFFAOYSA-N 1 0 419.938 2.391 50 0 HEAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013736237 558588555 /nfs/dbraw/zinc/58/85/55/558588555.db2.gz YVIGJPLBLGSVCV-UHFFFAOYSA-N 1 0 424.505 2.275 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)Cc1ccccc1 ZINC000024551716 558601068 /nfs/dbraw/zinc/60/10/68/558601068.db2.gz MJXCDTOUIOPLSU-PKOBYXMFSA-N 1 0 409.486 2.057 50 0 HEAARO CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000024830206 558614745 /nfs/dbraw/zinc/61/47/45/558614745.db2.gz AQFTUDLFUVSKPD-UHFFFAOYSA-N 1 0 420.373 2.206 50 0 HEAARO O=C(CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1)NC1CC1 ZINC000025231456 558635254 /nfs/dbraw/zinc/63/52/54/558635254.db2.gz OHZYZTGDQWMVDD-LJQANCHMSA-N 1 0 406.530 2.052 50 0 HEAARO COCCN1C(=O)N(C(C)C)C(=O)C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000014531492 558656285 /nfs/dbraw/zinc/65/62/85/558656285.db2.gz KSTMUVYVALXOIV-UHFFFAOYSA-N 1 0 403.479 2.069 50 0 HEAARO O=C1[C@H]2CCCN2C(=O)[C@@H]2C[C@H]([NH2+]Cc3nc(-c4ccc(F)cc4)cs3)CN12 ZINC000014539100 558659190 /nfs/dbraw/zinc/65/91/90/558659190.db2.gz RAMCWJOAKDPMBM-UAGQMJEPSA-N 1 0 400.479 2.013 50 0 HEAARO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000027064265 558669264 /nfs/dbraw/zinc/66/92/64/558669264.db2.gz KHXNOURMTYEOKU-ZJOUEHCJSA-N 1 0 416.591 2.493 50 0 biogenic HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014746393 558669340 /nfs/dbraw/zinc/66/93/40/558669340.db2.gz RHBVVGAYUYWWPV-KRWDZBQOSA-N 1 0 400.498 2.204 50 0 HEAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+]([C@H]3CCSC3)CC2)C1=O ZINC000014752416 558671063 /nfs/dbraw/zinc/67/10/63/558671063.db2.gz CNQPNPKHSLJACU-SFHVURJKSA-N 1 0 403.548 2.437 50 0 HEAARO COc1cccc(C[NH2+]Cc2ccc(OC[C@H](O)CN3CCOCC3)c(OC)c2)c1 ZINC000014971841 558687603 /nfs/dbraw/zinc/68/76/03/558687603.db2.gz ZJOPFCFXKYNOTK-HXUWFJFHSA-N 1 0 416.518 2.066 50 0 HEAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CN1C(=O)CSC1=O ZINC000014974826 558688760 /nfs/dbraw/zinc/68/87/60/558688760.db2.gz VTSBVAYCHVXUKT-HNNXBMFYSA-N 1 0 407.511 2.234 50 0 HEAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015008215 558699491 /nfs/dbraw/zinc/69/94/91/558699491.db2.gz FZANXIAWAWYXDR-IBGZPJMESA-N 1 0 402.516 2.097 50 0 HEAARO COc1cccc(C[NH2+]CCCc2ccccc2)c1OC[C@@H](O)CN1CCOCC1 ZINC000015071455 558713045 /nfs/dbraw/zinc/71/30/45/558713045.db2.gz USEZCRVERKPEJZ-QFIPXVFZSA-N 1 0 414.546 2.490 50 0 HEAARO COCC(=O)N1CCC(Oc2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000015073856 558714545 /nfs/dbraw/zinc/71/45/45/558714545.db2.gz DSRCLEFYJMJEDT-GOSISDBHSA-N 1 0 417.550 2.117 50 0 HEAARO COc1cc(C(=O)NCC(C)(C)C[NH+](C)C)ccc1OC1CCN(C(C)=O)CC1 ZINC000015074635 558715301 /nfs/dbraw/zinc/71/53/01/558715301.db2.gz AKOUFBGSJGOAAA-UHFFFAOYSA-N 1 0 405.539 2.403 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000015077663 558717297 /nfs/dbraw/zinc/71/72/97/558717297.db2.gz MNIJDDNFRLHJDX-KRWDZBQOSA-N 1 0 401.555 2.131 50 0 HEAARO Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CC[NH+]3CCN(c4ccccn4)CC3)c2)n1 ZINC000072294503 558739989 /nfs/dbraw/zinc/73/99/89/558739989.db2.gz SOMQQEZMSUNMSX-UHFFFAOYSA-N 1 0 418.501 2.291 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)CCCc4ccccc4)CC3)nn2)CC1 ZINC000004583390 558773136 /nfs/dbraw/zinc/77/31/36/558773136.db2.gz QJXDBAYLTMLQMA-UHFFFAOYSA-N 1 0 422.577 2.290 50 0 HEAARO Cn1c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)cc2n(C)c1=O ZINC000016363955 558788406 /nfs/dbraw/zinc/78/84/06/558788406.db2.gz XQYZBZLEDCUOJF-UHFFFAOYSA-N 1 0 409.519 2.125 50 0 HEAARO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@H+](C)Cc3ccccc3-n3cccn3)C2)cc1 ZINC000039461384 558821448 /nfs/dbraw/zinc/82/14/48/558821448.db2.gz SEXKLQDFNKJPNX-VXKWHMMOSA-N 1 0 406.486 2.198 50 0 HEAARO Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000097938338 558824878 /nfs/dbraw/zinc/82/48/78/558824878.db2.gz YGYGVJCIUNFJQD-KRWDZBQOSA-N 1 0 410.518 2.400 50 0 HEAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cc(COc2cccc3cccnc32)on1 ZINC000019143967 558846450 /nfs/dbraw/zinc/84/64/50/558846450.db2.gz OMCHPBWKWQMRDQ-KRWDZBQOSA-N 1 0 410.474 2.378 50 0 HEAARO CCn1ccnc1CN1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019228407 558852927 /nfs/dbraw/zinc/85/29/27/558852927.db2.gz HQUBHYKOONBLDT-FQEVSTJZSA-N 1 0 411.550 2.414 50 0 HEAARO CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033033765 558857774 /nfs/dbraw/zinc/85/77/74/558857774.db2.gz WICHQXGGWQRUOB-UHFFFAOYSA-N 1 0 402.520 2.035 50 0 HEAARO CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033033761 558857787 /nfs/dbraw/zinc/85/77/87/558857787.db2.gz NAXGNVXBZYHYGM-UHFFFAOYSA-N 1 0 420.510 2.174 50 0 HEAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033034184 558858338 /nfs/dbraw/zinc/85/83/38/558858338.db2.gz WLYSSBIVBHUTFN-UHFFFAOYSA-N 1 0 420.510 2.176 50 0 HEAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCc4ccncn4)c3)CC2)CC1 ZINC000019300908 558866543 /nfs/dbraw/zinc/86/65/43/558866543.db2.gz OBFYFNUZSFMNID-UHFFFAOYSA-N 1 0 409.534 2.344 50 0 HEAARO CC(C)OCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1 ZINC000033077165 558868443 /nfs/dbraw/zinc/86/84/43/558868443.db2.gz FHUJSGDOJUHHIY-UHFFFAOYSA-N 1 0 421.563 2.428 50 0 HEAARO CC(=O)N1CCCc2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccco3)ccc21 ZINC000033077328 558868668 /nfs/dbraw/zinc/86/86/68/558868668.db2.gz CCVIIBBYTVQZCG-UHFFFAOYSA-N 1 0 405.520 2.331 50 0 HEAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 ZINC000055568737 558882822 /nfs/dbraw/zinc/88/28/22/558882822.db2.gz WIJOWMMEGVRXRI-FQEVSTJZSA-N 1 0 416.566 2.226 50 0 HEAARO O=C(NC[C@@H]([C@H]1CCOC1)N1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000058297354 558917316 /nfs/dbraw/zinc/91/73/16/558917316.db2.gz XWUFCHHOBGXQAD-FPOVZHCZSA-N 1 0 402.539 2.141 50 0 HEAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799859 558965830 /nfs/dbraw/zinc/96/58/30/558965830.db2.gz ONVSQQMIYMBHIU-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000065361963 558972494 /nfs/dbraw/zinc/97/24/94/558972494.db2.gz ZDGGBDYNQGWRJU-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000065362210 558972850 /nfs/dbraw/zinc/97/28/50/558972850.db2.gz PIPRCDYMTGKBGL-KRWDZBQOSA-N 1 0 401.960 2.403 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)[nH+]1 ZINC000065363390 558974375 /nfs/dbraw/zinc/97/43/75/558974375.db2.gz VKTSSCNMZBRNOB-UHFFFAOYSA-N 1 0 414.485 2.423 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000065363635 558974790 /nfs/dbraw/zinc/97/47/90/558974790.db2.gz PNXXXAKOXTUVJA-UHFFFAOYSA-N 1 0 401.536 2.037 50 0 HEAARO Cc1nc(N2CCOCC2)cc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000065364009 558975156 /nfs/dbraw/zinc/97/51/56/558975156.db2.gz ZTPCWZKUGQMGCJ-UHFFFAOYSA-N 1 0 409.412 2.482 50 0 HEAARO Cc1ccccc1C(=O)N1CCC2(CN(CCN3CC[C@H]([NH+](C)C)C3)C(=O)O2)CC1 ZINC000072475094 558983631 /nfs/dbraw/zinc/98/36/31/558983631.db2.gz GINJDWXKPPEPOQ-IBGZPJMESA-N 1 0 414.550 2.058 50 0 HEAARO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000067339064 558986365 /nfs/dbraw/zinc/98/63/65/558986365.db2.gz VHPJRDDGEXCIOU-UHFFFAOYSA-N 1 0 405.495 2.475 50 0 HEAARO C[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000067612641 558989001 /nfs/dbraw/zinc/98/90/01/558989001.db2.gz TUNZPSFTQZCWFL-LLVKDONJSA-N 1 0 408.351 2.358 50 0 HEAARO C[C@H]([NH3+])C(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2C1 ZINC000077436848 559005034 /nfs/dbraw/zinc/00/50/34/559005034.db2.gz USWHDBYCKVQICB-ZDUSSCGKSA-N 1 0 407.923 2.050 50 0 HEAARO CCn1cc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cn1 ZINC000082097036 559037508 /nfs/dbraw/zinc/03/75/08/559037508.db2.gz JIPPRPZVBAXZSG-HXUWFJFHSA-N 1 0 410.566 2.291 50 0 HEAARO Cc1c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cnn1C ZINC000082098380 559037901 /nfs/dbraw/zinc/03/79/01/559037901.db2.gz YCDMGTXOVKOOMT-LJQANCHMSA-N 1 0 410.566 2.116 50 0 HEAARO O=C(NCCCn1cccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109927 559039018 /nfs/dbraw/zinc/03/90/18/559039018.db2.gz KBSWKSRBYTXGOK-NRFANRHFSA-N 1 0 410.566 2.161 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)no1 ZINC000082146213 559040828 /nfs/dbraw/zinc/04/08/28/559040828.db2.gz SZLOLKFRUHGTHE-QGZVFWFLSA-N 1 0 411.506 2.011 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000082170923 559042126 /nfs/dbraw/zinc/04/21/26/559042126.db2.gz ICXGPQBKMCFDLP-IBGZPJMESA-N 1 0 407.518 2.110 50 0 HEAARO O=C(NC1(CO)CCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000091643485 559072596 /nfs/dbraw/zinc/07/25/96/559072596.db2.gz TXTLOVIIYQTKMI-FQEVSTJZSA-N 1 0 400.567 2.179 50 0 HEAARO O=C([C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CCC(O)CC1 ZINC000091877156 559074351 /nfs/dbraw/zinc/07/43/51/559074351.db2.gz PIDOTLLZIKSLLQ-KRWDZBQOSA-N 1 0 412.534 2.492 50 0 HEAARO COCC(=O)N1CC[C@]2(O)CC[N@H+](Cc3cc(C(F)(F)F)ccc3C)C[C@@H]2C1 ZINC000095366628 559080089 /nfs/dbraw/zinc/08/00/89/559080089.db2.gz OGLVRAXIJFGHFL-IEBWSBKVSA-N 1 0 400.441 2.446 50 0 HEAARO OCCC[C@@H]1CN(Cc2nnc(-c3cccc(F)c3)o2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095384069 559080740 /nfs/dbraw/zinc/08/07/40/559080740.db2.gz OUWSDDDYNMXAAZ-MJGOQNOKSA-N 1 0 404.486 2.171 50 0 HEAARO COc1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095498722 559081899 /nfs/dbraw/zinc/08/18/99/559081899.db2.gz GEFNPKJGTYDRBW-INIZCTEOSA-N 1 0 401.511 2.357 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1ccsc1 ZINC000096210270 559101470 /nfs/dbraw/zinc/10/14/70/559101470.db2.gz PWCPKZYLYDEXEH-SFHVURJKSA-N 1 0 406.552 2.289 50 0 HEAARO CCOC(=O)C1=C(COCC[NH3+])NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000100001965 559128325 /nfs/dbraw/zinc/12/83/25/559128325.db2.gz HTIQEAQVCYTUBX-QGZVFWFLSA-N 1 0 408.882 2.266 50 0 fda HEAARO CCOC(=O)N1CCC(N2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)CC1 ZINC000023340045 559173015 /nfs/dbraw/zinc/17/30/15/559173015.db2.gz YEWQJSZMANTUGH-UHFFFAOYSA-N 1 0 406.571 2.062 50 0 HEAARO O=S(=O)(c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)nc1)N1CCOCC1 ZINC000024014428 559187555 /nfs/dbraw/zinc/18/75/55/559187555.db2.gz VDLRWYOJFCLTNI-UHFFFAOYSA-N 1 0 416.547 2.179 50 0 HEAARO Cc1ccc2nc(COc3ccc(C(=O)N(C)[C@@H]4CCS(=O)(=O)C4)cc3)cn2c1 ZINC000011701957 559226594 /nfs/dbraw/zinc/22/65/94/559226594.db2.gz LRYHFBRVYTVQAO-GOSISDBHSA-N 1 0 413.499 2.481 50 0 HEAARO CS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000107064364 560895151 /nfs/dbraw/zinc/89/51/51/560895151.db2.gz ANJNLPORIAPWFC-FUHWJXTLSA-N 1 0 414.593 2.302 50 0 HEAARO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c1=O ZINC000022697308 568415504 /nfs/dbraw/zinc/41/55/04/568415504.db2.gz DJPBZUFRQWSVPK-OAQYLSRUSA-N 1 0 401.507 2.236 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000048217850 568432488 /nfs/dbraw/zinc/43/24/88/568432488.db2.gz NRRGPEAICGHGIS-AWEZNQCLSA-N 1 0 416.335 2.499 50 0 HEAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265264 568433938 /nfs/dbraw/zinc/43/39/38/568433938.db2.gz SFQXDKSKLLVNDO-OXQOHEQNSA-N 1 0 403.548 2.368 50 0 HEAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)C1 ZINC000048309895 568436560 /nfs/dbraw/zinc/43/65/60/568436560.db2.gz QNDZLZULGKAQFG-QZTJIDSGSA-N 1 0 421.607 2.452 50 0 HEAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 ZINC000012234253 568454888 /nfs/dbraw/zinc/45/48/88/568454888.db2.gz KWSMUHBTBXWMKQ-HNNXBMFYSA-N 1 0 416.501 2.169 50 0 HEAARO CC[C@@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000020116238 568589493 /nfs/dbraw/zinc/58/94/93/568589493.db2.gz REERNORVGPIFBR-KOQKOIQBSA-N 1 0 408.631 2.487 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000020214264 568594659 /nfs/dbraw/zinc/59/46/59/568594659.db2.gz KNRVBYUXFRNVLV-FOIQADDNSA-N 1 0 418.513 2.413 50 0 HEAARO CC(C)[NH+](CCN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000095367785 568602206 /nfs/dbraw/zinc/60/22/06/568602206.db2.gz GLRZYDKEHLPZOP-SFHVURJKSA-N 1 0 424.563 2.092 50 0 HEAARO CCCCS(=O)(=O)NCC(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000095445104 568611682 /nfs/dbraw/zinc/61/16/82/568611682.db2.gz NHBHQBAHBKXYAB-QZTJIDSGSA-N 1 0 409.596 2.321 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)CC1 ZINC000020489803 568614256 /nfs/dbraw/zinc/61/42/56/568614256.db2.gz GMWCSRSBGXUAJW-UHFFFAOYSA-N 1 0 423.561 2.178 50 0 HEAARO COc1cccc(N2CCN(C(=O)CCc3nc(C4=CC[N@H+](C)CC4)no3)CC2)c1 ZINC000020901790 568650070 /nfs/dbraw/zinc/65/00/70/568650070.db2.gz TXKVFERAQBVOBX-UHFFFAOYSA-N 1 0 411.506 2.079 50 0 HEAARO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000096012289 568684709 /nfs/dbraw/zinc/68/47/09/568684709.db2.gz XVSDUPXEHRZKPW-GFCCVEGCSA-N 1 0 407.989 2.401 50 0 HEAARO COCC(=O)Nc1ccc(N(C)C)c(CN(CC[NH+](C)C)C(=O)c2ccco2)c1 ZINC000096203931 568704382 /nfs/dbraw/zinc/70/43/82/568704382.db2.gz UANHQMKUZFRKMD-UHFFFAOYSA-N 1 0 402.495 2.135 50 0 HEAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000021534199 568711518 /nfs/dbraw/zinc/71/15/18/568711518.db2.gz WVOWMBCICDJFGJ-UHFFFAOYSA-N 1 0 415.559 2.316 50 0 HEAARO Cc1ccc(CN2CCCn3nc(C(=O)NCC[NH+]4CCCCC4)cc3C2=O)cc1 ZINC000021933569 568761821 /nfs/dbraw/zinc/76/18/21/568761821.db2.gz WLXHUCBBDZSHMQ-UHFFFAOYSA-N 1 0 409.534 2.453 50 0 HEAARO NS(=O)(=O)c1ccc(OCC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000028171100 568781532 /nfs/dbraw/zinc/78/15/32/568781532.db2.gz YNLQHTYMQULLHT-UHFFFAOYSA-N 1 0 407.511 2.060 50 0 HEAARO Cc1cn2c3c(nc2n1-c1cccc(C)c1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000005901045 568829174 /nfs/dbraw/zinc/82/91/74/568829174.db2.gz WLSAPCCSBSFVMN-UHFFFAOYSA-N 1 0 420.517 2.241 50 0 HEAARO COc1cc(=O)n2c(c1C(=O)N(C)Cc1nccs1)CC[N@@H+](CC(C)C)CC2 ZINC000299761141 568873304 /nfs/dbraw/zinc/87/33/04/568873304.db2.gz SGJTWUUHRHCRIY-UHFFFAOYSA-N 1 0 404.536 2.100 50 0 HEAARO Cc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)cc1C ZINC000299773246 568874343 /nfs/dbraw/zinc/87/43/43/568874343.db2.gz BLSKFNNQPAVBGG-JOCHJYFZSA-N 1 0 413.562 2.383 50 0 HEAARO O=C(c1ccc(N2CCC([NH2+]CCc3ccncc3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000299771495 568874425 /nfs/dbraw/zinc/87/44/25/568874425.db2.gz PEUOBWMJSKWPNL-HSZRJFAPSA-N 1 0 408.546 2.480 50 0 HEAARO O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@@H]([NH2+]Cc1ccccc1)CC3 ZINC000299799474 568876551 /nfs/dbraw/zinc/87/65/51/568876551.db2.gz RWZKSDXVFIDKMB-SFHVURJKSA-N 1 0 424.570 2.437 50 0 HEAARO CS(=O)(=O)c1ccc(C2(C(=O)NCC[N@@H+]3CCCC[C@@H]3CO)CCCCC2)cc1 ZINC000670439269 568882758 /nfs/dbraw/zinc/88/27/58/568882758.db2.gz PPEQLDZZSORWBK-LJQANCHMSA-N 1 0 422.591 2.255 50 0 HEAARO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003408080 568897505 /nfs/dbraw/zinc/89/75/05/568897505.db2.gz QPACDHJSPZUZEA-SFHVURJKSA-N 1 0 409.939 2.380 50 0 HEAARO CCc1cc2c(ncn(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)c2=O)s1 ZINC000031757471 568930570 /nfs/dbraw/zinc/93/05/70/568930570.db2.gz BUVHDBOSDUZVNI-UHFFFAOYSA-N 1 0 418.563 2.172 50 0 HEAARO CC(C)N(C)Cc1nnnn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000012763931 568947159 /nfs/dbraw/zinc/94/71/59/568947159.db2.gz MQYLUOWARDUUTJ-FQEVSTJZSA-N 1 0 413.570 2.247 50 0 HEAARO COc1ccc(-n2nnnc2SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000012801382 568979068 /nfs/dbraw/zinc/97/90/68/568979068.db2.gz AYHIEMSFCHHRPR-QGZVFWFLSA-N 1 0 424.530 2.154 50 0 HEAARO COc1cccc(CO[C@H]2CN(CCc3ccccc3)C(=O)CN([C@H](C)CO)C2)c1 ZINC000104633717 569009099 /nfs/dbraw/zinc/00/90/99/569009099.db2.gz CGKGUINQIPPJTE-XXBNENTESA-N 1 0 412.530 2.348 50 0 HEAARO Cc1cccc(CN(CC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000015864300 569016483 /nfs/dbraw/zinc/01/64/83/569016483.db2.gz PFFNUILJOGIDCH-UHFFFAOYSA-N 1 0 415.559 2.235 50 0 HEAARO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000015955028 569024574 /nfs/dbraw/zinc/02/45/74/569024574.db2.gz PUNALERCVYYUGC-CMCWBKRRSA-N 1 0 401.466 2.422 50 0 biogenic HEAARO COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1 ZINC000017044051 569030481 /nfs/dbraw/zinc/03/04/81/569030481.db2.gz XGMSQGKASJXCND-XXBNENTESA-N 1 0 420.469 2.481 50 0 HEAARO CCN(CC)S(=O)(=O)c1ccc2c(cc(C(=O)NCC[NH+]3CCCCC3)n2C)c1 ZINC000035561023 569044971 /nfs/dbraw/zinc/04/49/71/569044971.db2.gz PIDFMIBVSDWFSL-UHFFFAOYSA-N 1 0 420.579 2.425 50 0 HEAARO O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000240278357 569054592 /nfs/dbraw/zinc/05/45/92/569054592.db2.gz DQPUICHZYFTAJX-IRXDYDNUSA-N 1 0 406.324 2.499 50 0 HEAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000242273632 569055064 /nfs/dbraw/zinc/05/50/64/569055064.db2.gz YENCCWUXGFEIHT-OALUTQOASA-N 1 0 405.564 2.032 50 0 HEAARO Cc1cc(C)cc(N2CC[NH+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459853 569063080 /nfs/dbraw/zinc/06/30/80/569063080.db2.gz LALGUAUNYAMGMT-UHFFFAOYSA-N 1 0 421.505 2.086 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036255040 569120072 /nfs/dbraw/zinc/12/00/72/569120072.db2.gz VBHLUDLBURTHMZ-JOCHJYFZSA-N 1 0 418.626 2.482 50 0 HEAARO Cc1ccc(NC(=O)N2CC(=O)N(CC(=O)NCC[NH+](C)C)c3ccccc32)cc1 ZINC000064971452 569138206 /nfs/dbraw/zinc/13/82/06/569138206.db2.gz RPGXAEPDDPDQGM-UHFFFAOYSA-N 1 0 409.490 2.058 50 0 HEAARO Cn1cc(C[NH+]2CCC(C(=O)NCCN3CCOCC3)CC2)c2cc(Cl)ccc21 ZINC000065060075 569163939 /nfs/dbraw/zinc/16/39/39/569163939.db2.gz RIVVOECKZMTAJY-UHFFFAOYSA-N 1 0 418.969 2.492 50 0 HEAARO O=S(=O)(c1ccc(Cl)s1)N1CCC2(CC1)NCC[NH+]=C2NC1CCCC1 ZINC000065074783 569169147 /nfs/dbraw/zinc/16/91/47/569169147.db2.gz DPMWPERYGKOPMV-UHFFFAOYSA-N 1 0 417.000 2.459 50 0 biogenic HEAARO CSc1nc2nc(C)c(CCC(=O)NCC[NH+]3C[C@@H](C)C[C@H](C)C3)c(C)n2n1 ZINC000036397043 569170139 /nfs/dbraw/zinc/17/01/39/569170139.db2.gz VNCKXTJNNVWGHV-KBPBESRZSA-N 1 0 404.584 2.490 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccc(F)c3)CC2)c[nH]1 ZINC000007007046 569199831 /nfs/dbraw/zinc/19/98/31/569199831.db2.gz JOTYCYIGGPUVOU-UHFFFAOYSA-N 1 0 409.483 2.131 50 0 HEAARO COCCC[NH+]1CCC(NC(=O)CN2C(=S)N=NC2c2cccc(C)c2)CC1 ZINC000065610166 569237623 /nfs/dbraw/zinc/23/76/23/569237623.db2.gz OTCIQZHIVHNFLP-UHFFFAOYSA-N 1 0 403.552 2.159 50 0 HEAARO COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)CCN3CC[NH+](C)CC3)no2)c1 ZINC000170598027 569242200 /nfs/dbraw/zinc/24/22/00/569242200.db2.gz YHVQHJTWJJLSQZ-OAHLLOKOSA-N 1 0 402.495 2.115 50 0 HEAARO COc1ccc(C(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1OC ZINC000017012250 569271472 /nfs/dbraw/zinc/27/14/72/569271472.db2.gz VGTSCJPTKXHESA-UHFFFAOYSA-N 1 0 411.506 2.365 50 0 HEAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000007725919 569280746 /nfs/dbraw/zinc/28/07/46/569280746.db2.gz JKGCECQISFIRQA-UHFFFAOYSA-N 1 0 414.531 2.366 50 0 HEAARO Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000007587687 569283486 /nfs/dbraw/zinc/28/34/86/569283486.db2.gz ZCFFJTQYCYTNMU-GOSISDBHSA-N 1 0 408.531 2.454 50 0 HEAARO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000078974966 569422652 /nfs/dbraw/zinc/42/26/52/569422652.db2.gz HHYRRXDBCNQYEF-CYBMUJFWSA-N 1 0 400.464 2.140 50 0 HEAARO CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000079025718 569424763 /nfs/dbraw/zinc/42/47/63/569424763.db2.gz OZIIFTIQZAMOMG-PKOBYXMFSA-N 1 0 418.607 2.158 50 0 HEAARO CC[NH+](CC)[C@@H](C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000079070789 569426686 /nfs/dbraw/zinc/42/66/86/569426686.db2.gz JDSQWUMITLOILU-MRXNPFEDSA-N 1 0 421.485 2.500 50 0 HEAARO CCOC(=O)C1=C(CN2CCC[N@H+](C)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067287058 571065229 /nfs/dbraw/zinc/06/52/29/571065229.db2.gz LNMRRGWCXKMBDO-IBGZPJMESA-N 1 0 418.563 2.217 50 0 HEAARO COc1cc(=O)n2c(c1C(=O)N[C@H](c1nc3cc(C)ccc3[nH]1)C(C)C)CC[NH2+]CC2 ZINC000670472605 571096403 /nfs/dbraw/zinc/09/64/03/571096403.db2.gz QQWGSBJYIVPYAT-NRFANRHFSA-N 1 0 423.517 2.314 50 0 HEAARO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000040088174 571158675 /nfs/dbraw/zinc/15/86/75/571158675.db2.gz XFNGIYKRMGJZOY-OAHLLOKOSA-N 1 0 407.561 2.196 50 0 HEAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC[N@@H+]2CCCC[C@H]2C)C(C)C)c1 ZINC000040107552 571167744 /nfs/dbraw/zinc/16/77/44/571167744.db2.gz FEQQPXLECBVUBP-OXQOHEQNSA-N 1 0 405.539 2.449 50 0 HEAARO COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C(C)C)c1 ZINC000040107553 571167854 /nfs/dbraw/zinc/16/78/54/571167854.db2.gz FEQQPXLECBVUBP-OXJNMPFZSA-N 1 0 405.539 2.449 50 0 HEAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000040152013 571199769 /nfs/dbraw/zinc/19/97/69/571199769.db2.gz BBJKDVBLBHWNHS-UHFFFAOYSA-N 1 0 413.584 2.051 50 0 HEAARO COc1ccc(CCC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C)CC2)CCO3)cc1 ZINC000581784158 1078763902 /nfs/dbraw/zinc/76/39/02/1078763902.db2.gz HKHFBWQDFMELGH-OAQYLSRUSA-N 1 0 415.578 2.415 50 0 HEAARO COc1cccc(CC(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C)CC2)CCO3)c1 ZINC000581784126 1078763944 /nfs/dbraw/zinc/76/39/44/1078763944.db2.gz DVYABIAKBOXEQT-HXUWFJFHSA-N 1 0 401.551 2.025 50 0 HEAARO C[N@@H+]1CCCN(C(=O)CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)no2)CC1 ZINC000581785877 1078765432 /nfs/dbraw/zinc/76/54/32/1078765432.db2.gz MFFHCNNSFFFCKY-SFHVURJKSA-N 1 0 411.506 2.144 50 0 HEAARO CC[NH+](CC)CCNC(=O)CCc1ccc2c(c1)CN(C(=O)NC(C)C)CCO2 ZINC000581800265 1078770494 /nfs/dbraw/zinc/77/04/94/1078770494.db2.gz RUUBACXFULOJNB-UHFFFAOYSA-N 1 0 404.555 2.390 50 0 HEAARO COCCO[C@@H]1C[N@H+](C2CCN(C(=O)c3cnc(C)cn3)CC2)C12CCCCC2 ZINC000581803569 1078779931 /nfs/dbraw/zinc/77/99/31/1078779931.db2.gz YCWWDCFWWKHTBF-HXUWFJFHSA-N 1 0 402.539 2.440 50 0 HEAARO O=C(c1ccco1)N1CCC(N2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000581814244 1078794079 /nfs/dbraw/zinc/79/40/79/1078794079.db2.gz OUVCSTWEPLCSNN-KDURUIRLSA-N 1 0 407.470 2.001 50 0 HEAARO CCn1cc(S(=O)(=O)N2CCC[C@H](Cn3c(C)c[nH+]c3C3CCOCC3)C2)cn1 ZINC000575547550 1076344712 /nfs/dbraw/zinc/34/47/12/1076344712.db2.gz IHIIFDDJAUTISH-KRWDZBQOSA-N 1 0 421.567 2.403 50 0 HEAARO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000005051367 132299509 /nfs/dbraw/zinc/29/95/09/132299509.db2.gz OAQUVBXVNCESJR-UHFFFAOYSA-N 1 0 405.506 2.102 50 0 HEAARO CCCC[NH+](CCCC)CCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531845 520494698 /nfs/dbraw/zinc/49/46/98/520494698.db2.gz ZOHZMYMRQDUHFB-UHFFFAOYSA-N 1 0 407.555 2.259 50 0 biogenic HEAARO CCOc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 ZINC000020601030 521486318 /nfs/dbraw/zinc/48/63/18/521486318.db2.gz QTANSFJWUXGIAU-UHFFFAOYSA-N 1 0 406.490 2.060 50 0 HEAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H](O)c1ccccc1 ZINC000043417387 521855310 /nfs/dbraw/zinc/85/53/10/521855310.db2.gz BXIPUSUOOMGYIH-QFBILLFUSA-N 1 0 405.520 2.123 50 0 HEAARO C[NH+]1CCN([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccsc2)CC1 ZINC000022766270 523916570 /nfs/dbraw/zinc/91/65/70/523916570.db2.gz BQFGEAQPCQLXJU-KRWDZBQOSA-N 1 0 408.474 2.070 50 0 HEAARO CC[C@H](C)[N@H+](CCNS(=O)(=O)c1csc(C(N)=O)c1)Cc1cccs1 ZINC000020582042 523936501 /nfs/dbraw/zinc/93/65/01/523936501.db2.gz IYBRKFOGTYWCOD-LBPRGKRZSA-N 1 0 401.579 2.488 50 0 HEAARO C[C@@H]1COc2ccc(C(=O)NCCN3CC[NH+](C)CC3)cc2N1Cc1ccccc1 ZINC000040455608 525161814 /nfs/dbraw/zinc/16/18/14/525161814.db2.gz VLVMYLBRCBOVGL-LJQANCHMSA-N 1 0 408.546 2.451 50 0 HEAARO CSCCC(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020599572 525372131 /nfs/dbraw/zinc/37/21/31/525372131.db2.gz VXTZJFQAHXUERN-GOSISDBHSA-N 1 0 405.564 2.277 50 0 HEAARO O=C(CCCn1nnc2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032101805 526474014 /nfs/dbraw/zinc/47/40/14/526474014.db2.gz FKBRJEHCMXHBOR-UHFFFAOYSA-N 1 0 405.502 2.353 50 0 HEAARO O=C(NCc1cccnc1N1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045032510 526771774 /nfs/dbraw/zinc/77/17/74/526771774.db2.gz GERQSLBEHCLVSB-UHFFFAOYSA-N 1 0 409.534 2.382 50 0 HEAARO COc1cc(C)c(C[N@@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1C ZINC000011838330 536572616 /nfs/dbraw/zinc/57/26/16/536572616.db2.gz WCGTXWSXBQHYRD-FGZHOGPDSA-N 1 0 410.562 2.464 50 0 HEAARO CC(C)COC[C@H](O)C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034667977 557361395 /nfs/dbraw/zinc/36/13/95/557361395.db2.gz IYHZBCHUNFVIGQ-OAQYLSRUSA-N 1 0 412.534 2.489 50 0 HEAARO C[NH+]1CCN([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)c2ccc(F)cc2)CC1 ZINC000022796313 557822991 /nfs/dbraw/zinc/82/29/91/557822991.db2.gz QQQUIXOGRDWSLN-LJQANCHMSA-N 1 0 420.435 2.147 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1C ZINC000022796187 557823098 /nfs/dbraw/zinc/82/30/98/557823098.db2.gz ATVJZMBLZWFWSH-NRFANRHFSA-N 1 0 412.509 2.486 50 0 HEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1ccc(=O)n(C)n1 ZINC000011818450 558281521 /nfs/dbraw/zinc/28/15/21/558281521.db2.gz LFWKUXKVMAEXRA-SFHVURJKSA-N 1 0 400.498 2.336 50 0 HEAARO COc1ccc(C(=O)NCCc2nnc3n2CC[N@@H+](Cc2ccc(C)o2)CC3)cc1 ZINC000019840042 558293720 /nfs/dbraw/zinc/29/37/20/558293720.db2.gz CXDPPKGYDXYYSK-UHFFFAOYSA-N 1 0 409.490 2.219 50 0 HEAARO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000019872264 558299712 /nfs/dbraw/zinc/29/97/12/558299712.db2.gz IPKAYCLGGSIBOA-HNNXBMFYSA-N 1 0 409.280 2.145 50 0 HEAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1 ZINC000019890259 558302936 /nfs/dbraw/zinc/30/29/36/558302936.db2.gz VERTZIHUFUOUNW-FQEVSTJZSA-N 1 0 423.517 2.383 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000019899525 558304708 /nfs/dbraw/zinc/30/47/08/558304708.db2.gz ZRXWWPWDHIPZAG-RTWAWAEBSA-N 1 0 420.513 2.211 50 0 HEAARO COC(=O)Cc1cc(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019991937 558317646 /nfs/dbraw/zinc/31/76/46/558317646.db2.gz XFZSCUPDYHBMOS-UHFFFAOYSA-N 1 0 418.497 2.397 50 0 HEAARO CC(=O)N[C@H](C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)C(C)C ZINC000012193547 558348652 /nfs/dbraw/zinc/34/86/52/558348652.db2.gz XYILEGXXRUKMQN-SFTDATJTSA-N 1 0 401.551 2.477 50 0 HEAARO COc1cc2cc(C[NH2+]C[C@@H](O)CO)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000012211883 558354133 /nfs/dbraw/zinc/35/41/33/558354133.db2.gz VPPBPLHEGZNQJP-GOSISDBHSA-N 1 0 404.507 2.042 50 0 HEAARO CC(C)CNC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000020358173 558357929 /nfs/dbraw/zinc/35/79/29/558357929.db2.gz QJJAONZIWPOLFW-UHFFFAOYSA-N 1 0 410.522 2.275 50 0 HEAARO Cn1cc(CN2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)cn1 ZINC000020453035 558367139 /nfs/dbraw/zinc/36/71/39/558367139.db2.gz YXJVLKYKRQPXNA-UHFFFAOYSA-N 1 0 409.578 2.455 50 0 HEAARO CCOC[C@H](O)C[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000012306984 558375559 /nfs/dbraw/zinc/37/55/59/558375559.db2.gz IHLUTILRYKFQSZ-QGZVFWFLSA-N 1 0 416.547 2.198 50 0 HEAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc3cccnc3c1)CC2 ZINC000020907031 558421315 /nfs/dbraw/zinc/42/13/15/558421315.db2.gz YNDBGNZQESOGFO-INIZCTEOSA-N 1 0 408.506 2.098 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc3ccccc31)CC2)[C@H]1CCCO1 ZINC000020909624 558421785 /nfs/dbraw/zinc/42/17/85/558421785.db2.gz KTDVMZBCPDMGAU-OAQYLSRUSA-N 1 0 419.529 2.327 50 0 HEAARO CCN1C(=O)C(=C(C)NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)C(=O)N(CC)C1=S ZINC000021577267 558442015 /nfs/dbraw/zinc/44/20/15/558442015.db2.gz NJNUKJBVJFLPLS-KRWDZBQOSA-N 1 0 418.563 2.157 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000021793840 558449377 /nfs/dbraw/zinc/44/93/77/558449377.db2.gz CKALSNSDHHHSQA-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO Cc1nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793750 558449396 /nfs/dbraw/zinc/44/93/96/558449396.db2.gz PHGQGEXKTFHNHF-UHFFFAOYSA-N 1 0 409.490 2.466 50 0 biogenic HEAARO CC[NH+](CC)CCN(C)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000023158337 558539965 /nfs/dbraw/zinc/53/99/65/558539965.db2.gz YXSJZKHTRVZIHA-KRWDZBQOSA-N 1 0 401.555 2.416 50 0 HEAARO O=C(CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCOCC1)N1CCCCC1 ZINC000023541064 558561378 /nfs/dbraw/zinc/56/13/78/558561378.db2.gz SCNXAFMDDWLIIB-RBBKRZOGSA-N 1 0 400.567 2.397 50 0 HEAARO CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1=O ZINC000014185415 558630413 /nfs/dbraw/zinc/63/04/13/558630413.db2.gz XTZDNEGISLITPW-XXBNENTESA-N 1 0 408.502 2.263 50 0 HEAARO CN(CC(=O)NCc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000014201648 558637097 /nfs/dbraw/zinc/63/70/97/558637097.db2.gz ZDNOIPIVTHNWAD-UHFFFAOYSA-N 1 0 409.939 2.339 50 0 HEAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC000014541190 558659944 /nfs/dbraw/zinc/65/99/44/558659944.db2.gz KXUKYPUMLNWVDK-HXUWFJFHSA-N 1 0 424.545 2.170 50 0 HEAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](C2CCOCC2)CC3)cc1 ZINC000014743472 558667794 /nfs/dbraw/zinc/66/77/94/558667794.db2.gz HNLRBTMUBTUNJS-UHFFFAOYSA-N 1 0 401.507 2.145 50 0 HEAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCCOC(C)C)C2 ZINC000014747291 558669593 /nfs/dbraw/zinc/66/95/93/558669593.db2.gz QWWXXUABDCANFE-GOSISDBHSA-N 1 0 406.571 2.274 50 0 HEAARO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cccc(OC)c1OC)CC2 ZINC000014882026 558676341 /nfs/dbraw/zinc/67/63/41/558676341.db2.gz SUVDPMBRIAUYAO-HNNXBMFYSA-N 1 0 401.511 2.016 50 0 HEAARO CC(C)N(CC(N)=O)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014927499 558679554 /nfs/dbraw/zinc/67/95/54/558679554.db2.gz QAVLKXBSJDPKDJ-UHFFFAOYSA-N 1 0 423.561 2.143 50 0 HEAARO COc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1S(=O)(=O)N1CCCC1 ZINC000027740014 558680449 /nfs/dbraw/zinc/68/04/49/558680449.db2.gz HLGKKXONYPKAGO-INIZCTEOSA-N 1 0 409.552 2.084 50 0 HEAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCNC(=O)CC2)c1 ZINC000014952611 558681472 /nfs/dbraw/zinc/68/14/72/558681472.db2.gz VOQTZMSUVAQYPC-UHFFFAOYSA-N 1 0 415.534 2.443 50 0 HEAARO COc1cccc(OCc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CO)no2)c1 ZINC000014969474 558686894 /nfs/dbraw/zinc/68/68/94/558686894.db2.gz SHQYHFQWGAGWIO-MRXNPFEDSA-N 1 0 403.479 2.229 50 0 HEAARO C[C@@H](C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)N1CCOCC1 ZINC000014985293 558692869 /nfs/dbraw/zinc/69/28/69/558692869.db2.gz ADDXXNYNNWJHSV-FPOVZHCZSA-N 1 0 401.551 2.037 50 0 HEAARO COc1ccc(N2C[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2=O)cc1OC ZINC000030617466 558734452 /nfs/dbraw/zinc/73/44/52/558734452.db2.gz MFTLEWVHDUXCJO-CQSZACIVSA-N 1 0 403.523 2.482 50 0 HEAARO O=C(c1ccc(SCC[NH+]2CCCCC2)nc1)N1CCN(c2ncccn2)CC1 ZINC000033274477 558763806 /nfs/dbraw/zinc/76/38/06/558763806.db2.gz XENVHBFRWLDNFK-UHFFFAOYSA-N 1 0 412.563 2.412 50 0 HEAARO CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016022217 558768059 /nfs/dbraw/zinc/76/80/59/558768059.db2.gz FSDWEORXXPPLQB-YDLHNXBPSA-N 1 0 419.481 2.154 50 0 HEAARO Cc1ccc2c(c1C)NC(=O)[C@]21[NH2+][C@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024869 558768888 /nfs/dbraw/zinc/76/88/88/558768888.db2.gz NTYZDXDWZHLFJP-RSOWOLOUSA-N 1 0 403.482 2.286 50 0 HEAARO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000072308353 558770148 /nfs/dbraw/zinc/77/01/48/558770148.db2.gz MARNCYZREXQRJP-LJQANCHMSA-N 1 0 416.547 2.263 50 0 HEAARO O=C(CNC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000072311514 558787554 /nfs/dbraw/zinc/78/75/54/558787554.db2.gz HHKZEEBKCJYTJW-UHFFFAOYSA-N 1 0 421.541 2.178 50 0 HEAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCCC[NH+]3CCCC3)s2)cc1 ZINC000032987480 558807342 /nfs/dbraw/zinc/80/73/42/558807342.db2.gz OUSSHWCLCCMWLZ-UHFFFAOYSA-N 1 0 417.535 2.218 50 0 HEAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH+]1 ZINC000017012937 558811625 /nfs/dbraw/zinc/81/16/25/558811625.db2.gz FTWHOBUTSXMDDO-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1 ZINC000018088231 558831018 /nfs/dbraw/zinc/83/10/18/558831018.db2.gz RYYAKJWQLRWILU-LJQANCHMSA-N 1 0 421.453 2.412 50 0 HEAARO CC[NH+](CC)CCCNC(=O)COCC(=O)Nc1cccc(Br)c1 ZINC000004681771 558894941 /nfs/dbraw/zinc/89/49/41/558894941.db2.gz GTKVVMGORUEEKY-UHFFFAOYSA-N 1 0 400.317 2.252 50 0 HEAARO O=C(Nc1ccccc1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071523577 558904524 /nfs/dbraw/zinc/90/45/24/558904524.db2.gz UQDLMMBCKUWRBJ-GOSISDBHSA-N 1 0 400.523 2.254 50 0 HEAARO CCN1CCn2c(C)nc(C(=O)N3CCC[N@H+](CC4CC4)[C@H](C(C)C)C3)c2C1=O ZINC000071753790 558909327 /nfs/dbraw/zinc/90/93/27/558909327.db2.gz UXYLNWVSCADWKP-SFHVURJKSA-N 1 0 401.555 2.250 50 0 HEAARO Cc1cccc2c1ncn(CC(=O)N1CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC1)c2=O ZINC000058227335 558913723 /nfs/dbraw/zinc/91/37/23/558913723.db2.gz KYNSSMPCAJMAEK-QZTJIDSGSA-N 1 0 412.534 2.053 50 0 HEAARO O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCC[NH+]1CCCCC1 ZINC000033254506 558918364 /nfs/dbraw/zinc/91/83/64/558918364.db2.gz LSIWDXURTLKSRD-UHFFFAOYSA-N 1 0 407.580 2.470 50 0 HEAARO COCC[N@H+](C)C[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000058306891 558918447 /nfs/dbraw/zinc/91/84/47/558918447.db2.gz BNNLIOFONAPYEK-CYBMUJFWSA-N 1 0 421.357 2.189 50 0 HEAARO Cc1cc(=O)oc2cc(NC(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)ccc12 ZINC000058394081 558923947 /nfs/dbraw/zinc/92/39/47/558923947.db2.gz OTJBENCGCFBFSF-QGZVFWFLSA-N 1 0 400.479 2.166 50 0 HEAARO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374067 558942027 /nfs/dbraw/zinc/94/20/27/558942027.db2.gz KOWYPXFZLHHXAK-GJZGRUSLSA-N 1 0 406.324 2.499 50 0 HEAARO Cc1ccc(F)cc1S(=O)(=O)NCCNc1ccc(Nc2cc[nH+]cc2)nn1 ZINC000065365243 558976166 /nfs/dbraw/zinc/97/61/66/558976166.db2.gz PBTMXQJDWNTDLN-UHFFFAOYSA-N 1 0 402.455 2.453 50 0 HEAARO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000072437703 558980995 /nfs/dbraw/zinc/98/09/95/558980995.db2.gz AWWCOYDAEJHTEH-GOSISDBHSA-N 1 0 421.607 2.385 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[C@@H](C)[NH+]3CCCC3)C2)cc1 ZINC000072446940 558982582 /nfs/dbraw/zinc/98/25/82/558982582.db2.gz UXCTVYTWFLYPFN-QZTJIDSGSA-N 1 0 423.579 2.087 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000067613581 558989284 /nfs/dbraw/zinc/98/92/84/558989284.db2.gz CUXXXTYMDCUZNJ-UHFFFAOYSA-N 1 0 419.888 2.377 50 0 HEAARO CC(C)C[C@@H](NS(=O)(=O)c1cc2ccccc2o1)c1nnc2n1CC[NH2+]CC2 ZINC000067774366 558992876 /nfs/dbraw/zinc/99/28/76/558992876.db2.gz YLZHFZMWXSITPZ-OAHLLOKOSA-N 1 0 403.508 2.236 50 0 HEAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cn(Cc4c(F)cccc4F)nn3)CC2)C[C@H](C)O1 ZINC000067787850 558992892 /nfs/dbraw/zinc/99/28/92/558992892.db2.gz GSUIVXFIIVUUPJ-GASCZTMLSA-N 1 0 419.476 2.318 50 0 HEAARO COc1cc(OC)cc(C(=O)N[C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2c2cccnc2)c1 ZINC000097112398 558995556 /nfs/dbraw/zinc/99/55/56/558995556.db2.gz BLBQEIZDXHJQQD-YADHBBJMSA-N 1 0 411.502 2.476 50 0 HEAARO Cc1nnc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082096749 559037382 /nfs/dbraw/zinc/03/73/82/559037382.db2.gz UMLRCDRBQBJVDX-FQEVSTJZSA-N 1 0 411.550 2.413 50 0 HEAARO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082106962 559038379 /nfs/dbraw/zinc/03/83/79/559038379.db2.gz MHNLZAQRNPTSHE-MRXNPFEDSA-N 1 0 413.547 2.171 50 0 HEAARO CCN(CC)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082161869 559041871 /nfs/dbraw/zinc/04/18/71/559041871.db2.gz FGUSDXIQJLTLJB-SFHVURJKSA-N 1 0 401.555 2.336 50 0 HEAARO CC(C)(CO)NC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091650777 559072848 /nfs/dbraw/zinc/07/28/48/559072848.db2.gz UHKSJVHXAGEEBQ-INIZCTEOSA-N 1 0 400.523 2.396 50 0 HEAARO Cc1ncc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(=O)[nH]1 ZINC000095500112 559082107 /nfs/dbraw/zinc/08/21/07/559082107.db2.gz YPPKWJWTRDPCAB-IBGZPJMESA-N 1 0 402.539 2.354 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000011527219 559087857 /nfs/dbraw/zinc/08/78/57/559087857.db2.gz KSMFTAYHNRGWJX-SFHVURJKSA-N 1 0 413.971 2.386 50 0 HEAARO COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc1C ZINC000011697872 559189612 /nfs/dbraw/zinc/18/96/12/559189612.db2.gz MFWUKMWPBSRXOU-UHFFFAOYSA-N 1 0 414.491 2.323 50 0 HEAARO CCCCC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2C)CC1 ZINC000005147905 559252768 /nfs/dbraw/zinc/25/27/68/559252768.db2.gz HQCFMGIHBSRAPU-UHFFFAOYSA-N 1 0 424.549 2.092 50 0 HEAARO COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C[NH+]4CCCC4)C3)C2=O)c1 ZINC000426487587 559271796 /nfs/dbraw/zinc/27/17/96/559271796.db2.gz TWEHNNLIMHPPHK-QFIPXVFZSA-N 1 0 403.498 2.271 50 0 HEAARO O=C(c1ccccc1)N1C[C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)N2CC[C@H]1C2 ZINC000108455612 568418840 /nfs/dbraw/zinc/41/88/40/568418840.db2.gz BNADJYWFYWLBMP-SFTDATJTSA-N 1 0 402.502 2.160 50 0 HEAARO COc1ccc(C(=O)N2CCN(C(=O)[C@@H](C(C)C)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000109048527 568420944 /nfs/dbraw/zinc/42/09/44/568420944.db2.gz KTRQWERWMXIXCI-LVCYWYKZSA-N 1 0 417.550 2.113 50 0 HEAARO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C2=O ZINC000048270700 568433870 /nfs/dbraw/zinc/43/38/70/568433870.db2.gz HTBVRFMKKRPUNO-TWTVVONZSA-N 1 0 406.571 2.361 50 0 HEAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000049550393 568451960 /nfs/dbraw/zinc/45/19/60/568451960.db2.gz PWHUONMBWGNPET-UHFFFAOYSA-N 1 0 411.506 2.015 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214206 568594619 /nfs/dbraw/zinc/59/46/19/568594619.db2.gz WQOUTLSRWODWAK-SFHVURJKSA-N 1 0 406.914 2.149 50 0 HEAARO CCN(CC)C(=O)N1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000095427348 568608165 /nfs/dbraw/zinc/60/81/65/568608165.db2.gz MKXJLSLUFDCLST-IHPCNDPISA-N 1 0 408.587 2.044 50 0 HEAARO COC(=O)C1CC[NH+](CCCSc2nnnn2-c2cc(C)ccc2OC)CC1 ZINC000095468088 568624978 /nfs/dbraw/zinc/62/49/78/568624978.db2.gz NUMYMIYVPYOIQO-UHFFFAOYSA-N 1 0 405.524 2.347 50 0 HEAARO Cc1cn2c(nc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2=O)s1 ZINC000020921804 568651105 /nfs/dbraw/zinc/65/11/05/568651105.db2.gz WPDIERNVQAHGJJ-UHFFFAOYSA-N 1 0 410.565 2.012 50 0 HEAARO CC[NH+]1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097869 568665353 /nfs/dbraw/zinc/66/53/53/568665353.db2.gz CUPGAHFQSSVMIZ-OAQYLSRUSA-N 1 0 403.498 2.375 50 0 HEAARO O=C(c1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000095999981 568680919 /nfs/dbraw/zinc/68/09/19/568680919.db2.gz PUUASLKNKKSILT-FQEVSTJZSA-N 1 0 405.564 2.181 50 0 HEAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000229277328 568713605 /nfs/dbraw/zinc/71/36/05/568713605.db2.gz YCABGISCFZPBPO-IAVZTARUSA-N 1 0 417.550 2.241 50 0 HEAARO COc1cc(OC)c(S(=O)(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(OC)c1 ZINC000239475446 568729520 /nfs/dbraw/zinc/72/95/20/568729520.db2.gz AOJXOCLVABNNIP-WBVHZDCISA-N 1 0 406.504 2.075 50 0 HEAARO Cc1cc(C)c2c(n1)nc(C(=O)NCCC[NH+]1CCCC1)nc2N1CCSCC1 ZINC000096396817 568745490 /nfs/dbraw/zinc/74/54/90/568745490.db2.gz CHTUZVYTZIICGL-UHFFFAOYSA-N 1 0 414.579 2.411 50 0 HEAARO O=C(CN1C(=O)CSc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000025452218 568769883 /nfs/dbraw/zinc/76/98/83/568769883.db2.gz LLGUMFYPQHFLMQ-UHFFFAOYSA-N 1 0 403.548 2.277 50 0 HEAARO OCCN1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000082055729 568819058 /nfs/dbraw/zinc/81/90/58/568819058.db2.gz YROSPBQXYVDYAU-NRFANRHFSA-N 1 0 406.473 2.042 50 0 HEAARO Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)n21 ZINC000002947706 568820161 /nfs/dbraw/zinc/82/01/61/568820161.db2.gz YUBAXNQIVJGVPR-IAGOWNOFSA-N 1 0 409.534 2.442 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCCCC3)C2)cc1 ZINC000003048441 568849576 /nfs/dbraw/zinc/84/95/76/568849576.db2.gz OUSXANDKVXGBAQ-IBGZPJMESA-N 1 0 407.580 2.388 50 0 HEAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc2cc[nH]c2c1 ZINC000299773339 568874432 /nfs/dbraw/zinc/87/44/32/568874432.db2.gz FBXDUEJUZOSCRV-NRFANRHFSA-N 1 0 424.545 2.247 50 0 HEAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)cc1 ZINC000299797383 568876284 /nfs/dbraw/zinc/87/62/84/568876284.db2.gz ORAYAZCYYNHOMY-LJQANCHMSA-N 1 0 405.926 2.314 50 0 HEAARO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(Cl)o1 ZINC000299798696 568876543 /nfs/dbraw/zinc/87/65/43/568876543.db2.gz SAZXNLGLIRARKV-INIZCTEOSA-N 1 0 409.914 2.012 50 0 HEAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCC5(CC4)OCCO5)[C@H]3C[C@@]21O ZINC000004042130 568935945 /nfs/dbraw/zinc/93/59/45/568935945.db2.gz NWQKPLHTFSPSHT-SLFHQBFESA-N 1 0 423.550 2.103 50 0 biogenic HEAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000004101524 568942783 /nfs/dbraw/zinc/94/27/83/568942783.db2.gz FURGNSVWVPRYDK-OAHLLOKOSA-N 1 0 424.592 2.264 50 0 HEAARO CCC[NH+](CCC)Cc1cc(C(=O)N2CCN(c3nccc(OC)n3)CC2)no1 ZINC000084755180 568958254 /nfs/dbraw/zinc/95/82/54/568958254.db2.gz QJXYMGHDQZJPPB-UHFFFAOYSA-N 1 0 402.499 2.058 50 0 HEAARO CCc1ccc(-c2cc3c(=O)n(CC(=O)NC[C@H]4CCC[N@H+]4CC)nc(C)n3n2)cc1 ZINC000015672116 568962367 /nfs/dbraw/zinc/96/23/67/568962367.db2.gz LEDYDUANPYAHMT-LJQANCHMSA-N 1 0 422.533 2.029 50 0 HEAARO CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)ccc21 ZINC000008074612 568972185 /nfs/dbraw/zinc/97/21/85/568972185.db2.gz YPSLSRGJRIEIGL-GOSISDBHSA-N 1 0 403.504 2.169 50 0 HEAARO CC[NH+]1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 ZINC000012800129 568978595 /nfs/dbraw/zinc/97/85/95/568978595.db2.gz YLBHCWHOQKGXOO-UHFFFAOYSA-N 1 0 407.580 2.305 50 0 HEAARO COc1ccc([C@H](CNC(=O)Cn2c(=O)cnc3ccccc32)[NH+]2CCCC2)cc1 ZINC000008325909 568991635 /nfs/dbraw/zinc/99/16/35/568991635.db2.gz VNBMTZJRVFAOBY-NRFANRHFSA-N 1 0 406.486 2.358 50 0 HEAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000015772609 568998626 /nfs/dbraw/zinc/99/86/26/568998626.db2.gz JZNLWFCPNRKJKM-LJQANCHMSA-N 1 0 422.533 2.329 50 0 HEAARO O=C(CN1CCn2nc(-c3ccc(Cl)cc3)cc2C1=O)NCC[NH+]1CCCCC1 ZINC000015775374 568999337 /nfs/dbraw/zinc/99/93/37/568999337.db2.gz FXCMCABFSKFUQE-UHFFFAOYSA-N 1 0 415.925 2.261 50 0 HEAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1 ZINC000104439268 569008720 /nfs/dbraw/zinc/00/87/20/569008720.db2.gz GGUAOPDRIOQYGL-OAQYLSRUSA-N 1 0 403.567 2.199 50 0 HEAARO Cc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCc3ccccc3C1)OCC(=O)N2 ZINC000015822150 569010777 /nfs/dbraw/zinc/01/07/77/569010777.db2.gz SQENBKVNCUUAON-UHFFFAOYSA-N 1 0 415.515 2.053 50 0 HEAARO C[N@H+](CCCn1ccnc1)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000089346163 569058676 /nfs/dbraw/zinc/05/86/76/569058676.db2.gz CGKINWMJYFXDCF-UHFFFAOYSA-N 1 0 407.400 2.443 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)CCCc3ccccc3)CC2)[nH+]1 ZINC000064593956 569069604 /nfs/dbraw/zinc/06/96/04/569069604.db2.gz DFGXFJYVLQWBIY-UHFFFAOYSA-N 1 0 409.534 2.293 50 0 HEAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1c3ccccc3CCN1C2=O ZINC000006729663 569102827 /nfs/dbraw/zinc/10/28/27/569102827.db2.gz RFBAMLHQIXJZME-YADHBBJMSA-N 1 0 423.513 2.218 50 0 HEAARO CC[C@@H](C)C(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036255091 569120284 /nfs/dbraw/zinc/12/02/84/569120284.db2.gz YJHXPKRMZUVULB-CTNGQTDRSA-N 1 0 406.615 2.338 50 0 HEAARO CSc1nc2nc(C)c(CCC(=O)NCC[NH+]3C[C@H](C)C[C@@H](C)C3)c(C)n2n1 ZINC000036397044 569170149 /nfs/dbraw/zinc/17/01/49/569170149.db2.gz VNCKXTJNNVWGHV-ZIAGYGMSSA-N 1 0 404.584 2.490 50 0 HEAARO COC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cn1C ZINC000007007106 569199817 /nfs/dbraw/zinc/19/98/17/569199817.db2.gz JXSWYALWIIXNKO-UHFFFAOYSA-N 1 0 423.510 2.141 50 0 HEAARO CCC[NH+]1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(OC)cc4)c3n2)CC1 ZINC000065274625 569215236 /nfs/dbraw/zinc/21/52/36/569215236.db2.gz BSANAINZQIOJIL-UHFFFAOYSA-N 1 0 422.533 2.162 50 0 HEAARO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(Cn3cnc4ccccc43)CC2)CC1 ZINC000036708851 569223910 /nfs/dbraw/zinc/22/39/10/569223910.db2.gz HYRHORXGMKMLGN-UHFFFAOYSA-N 1 0 413.522 2.049 50 0 HEAARO CCOc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1O[C@H](C)C(=O)N(C)C ZINC000007127223 569225468 /nfs/dbraw/zinc/22/54/68/569225468.db2.gz WWGXNQPKKUVCPF-YJYMSZOUSA-N 1 0 422.489 2.387 50 0 HEAARO CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)Cc1ccccc1 ZINC000007340113 569234067 /nfs/dbraw/zinc/23/40/67/569234067.db2.gz AYFCCYZADNSLPR-UHFFFAOYSA-N 1 0 404.536 2.073 50 0 HEAARO O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283001 569252581 /nfs/dbraw/zinc/25/25/81/569252581.db2.gz DJZSKOASQVNHSJ-KRWDZBQOSA-N 1 0 422.957 2.083 50 0 HEAARO CCc1cc2c(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)cc(=O)oc2cc1O ZINC000014334039 569259593 /nfs/dbraw/zinc/25/95/93/569259593.db2.gz WEXRJMHALJHUPC-MRXNPFEDSA-N 1 0 400.475 2.132 50 0 HEAARO O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252570611 569294432 /nfs/dbraw/zinc/29/44/32/569294432.db2.gz WXZHVIJYLUXOLH-XUVXKRRUSA-N 1 0 412.534 2.472 50 0 HEAARO CN(CC(=O)NC1CC1)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000007793002 569310999 /nfs/dbraw/zinc/31/09/99/569310999.db2.gz IVRPGLDSAMSFQO-UHFFFAOYSA-N 1 0 417.897 2.091 50 0 HEAARO COc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1S(=O)(=O)NC1CC1 ZINC000007818171 569312780 /nfs/dbraw/zinc/31/27/80/569312780.db2.gz OPPMZYGHMDSNPK-GOSISDBHSA-N 1 0 417.531 2.169 50 0 HEAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(CC(C)C)CC2)CCO3)n1 ZINC000581819771 569320768 /nfs/dbraw/zinc/32/07/68/569320768.db2.gz JXPHDDGIOPPHEE-HXUWFJFHSA-N 1 0 417.598 2.330 50 0 HEAARO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]C2CCCCCC2)ccc1F ZINC000013371931 569413040 /nfs/dbraw/zinc/41/30/40/569413040.db2.gz XKTZDEYRQBGSAH-ROUUACIJSA-N 1 0 403.541 2.386 50 0 HEAARO CN1C(=O)c2ccc(NC(=O)CN(CC[NH+]3CCCC3)c3ccccc3)cc2C1=O ZINC000079016402 569423990 /nfs/dbraw/zinc/42/39/90/569423990.db2.gz LEQPADOCXOYZLE-UHFFFAOYSA-N 1 0 406.486 2.453 50 0 HEAARO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000079060485 569426284 /nfs/dbraw/zinc/42/62/84/569426284.db2.gz CLUSYRRYHOJAKQ-LBPRGKRZSA-N 1 0 409.346 2.093 50 0 HEAARO Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000038670734 571059840 /nfs/dbraw/zinc/05/98/40/571059840.db2.gz SGFQYEMOYANACC-UHFFFAOYSA-N 1 0 403.430 2.260 50 0 HEAARO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000008719171 571106450 /nfs/dbraw/zinc/10/64/50/571106450.db2.gz HNAPKSBXROQAJH-UHFFFAOYSA-N 1 0 420.513 2.382 50 0 HEAARO CS(=O)(=O)N1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000040092330 571161489 /nfs/dbraw/zinc/16/14/89/571161489.db2.gz AMVZFLPUIJXYAG-MRXNPFEDSA-N 1 0 413.971 2.092 50 0 HEAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc4c(cnn4C(C)C)c3)cn2)CC1 ZINC000040118612 571174691 /nfs/dbraw/zinc/17/46/91/571174691.db2.gz BXTXQYZUDYTFGP-UHFFFAOYSA-N 1 0 407.522 2.479 50 0 HEAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nc(N2CCOCC2)ncc1Cl ZINC000040141826 571193055 /nfs/dbraw/zinc/19/30/55/571193055.db2.gz MDUJVBGMVWLHFZ-UHFFFAOYSA-N 1 0 415.925 2.361 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCCC(=O)N2Cc2ccccc2)CC1 ZINC000581785966 1078765332 /nfs/dbraw/zinc/76/53/32/1078765332.db2.gz SRYIJAUNSYTTEG-NRFANRHFSA-N 1 0 400.567 2.102 50 0 HEAARO C[NH+](C)CCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000002293225 132251763 /nfs/dbraw/zinc/25/17/63/132251763.db2.gz XVSGXTUWMQYLOS-UHFFFAOYSA-N 1 0 413.551 2.323 50 0 HEAARO Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000005350575 132305220 /nfs/dbraw/zinc/30/52/20/132305220.db2.gz KBZUQFKNFLEREZ-UHFFFAOYSA-N 1 0 423.546 2.453 50 0 HEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2cccc(OC)c2)CC1 ZINC000015679421 132462146 /nfs/dbraw/zinc/46/21/46/132462146.db2.gz CSIOIWKEEGZKPJ-UHFFFAOYSA-N 1 0 413.518 2.072 50 0 biogenic HEAARO CC(C)CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045974324 519651351 /nfs/dbraw/zinc/65/13/51/519651351.db2.gz RIQKORPFOFKOFF-UHFFFAOYSA-N 1 0 409.596 2.354 50 0 HEAARO CC[NH+](CC)[C@@H](CNC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)c1ccccc1 ZINC000032908327 520836850 /nfs/dbraw/zinc/83/68/50/520836850.db2.gz MLUHGXDCQJHCSF-IBGZPJMESA-N 1 0 421.501 2.233 50 0 HEAARO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000045974215 521186167 /nfs/dbraw/zinc/18/61/67/521186167.db2.gz LBEJQXQOPNKEPS-UHFFFAOYSA-N 1 0 423.579 2.231 50 0 HEAARO CCc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCC2)cc1 ZINC000045944702 524010654 /nfs/dbraw/zinc/01/06/54/524010654.db2.gz JETMIUYSOUHPOF-UHFFFAOYSA-N 1 0 407.580 2.394 50 0 HEAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c1 ZINC000032900879 524181985 /nfs/dbraw/zinc/18/19/85/524181985.db2.gz MZBLFNSXCFMKFC-HXUWFJFHSA-N 1 0 418.559 2.486 50 0 HEAARO Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(CCC[NH+](C)C)CC2)cs1 ZINC000040355417 525065126 /nfs/dbraw/zinc/06/51/26/525065126.db2.gz JQKYMZJFIOWNFR-UHFFFAOYSA-N 1 0 415.563 2.413 50 0 HEAARO NC(=O)[C@@H]1CC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)=NN1c1ccccc1 ZINC000032772375 526958789 /nfs/dbraw/zinc/95/87/89/526958789.db2.gz ONLRHEJXXVVRJQ-SFTDATJTSA-N 1 0 405.502 2.060 50 0 HEAARO O=C(Cn1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1=O)NC1CCCCCC1 ZINC000044901389 527415824 /nfs/dbraw/zinc/41/58/24/527415824.db2.gz NRVAENATESIEMH-UHFFFAOYSA-N 1 0 423.561 2.405 50 0 HEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)n1 ZINC000009620299 535520916 /nfs/dbraw/zinc/52/09/16/535520916.db2.gz DEBVYQDCVKFIIP-UHFFFAOYSA-N 1 0 415.494 2.205 50 0 HEAARO CC(C)COC[C@@H](O)C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cn2)CC1 ZINC000034667978 557361315 /nfs/dbraw/zinc/36/13/15/557361315.db2.gz IYHZBCHUNFVIGQ-NRFANRHFSA-N 1 0 412.534 2.489 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)[C@H]1CC(=O)N(Cc2cccc(Br)c2)C1 ZINC000034916553 557482585 /nfs/dbraw/zinc/48/25/85/557482585.db2.gz VOCHDPOQZKOGBF-INIZCTEOSA-N 1 0 408.340 2.400 50 0 HEAARO Cc1cc(Cl)cc(Br)c1OC[C@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000004324458 557541689 /nfs/dbraw/zinc/54/16/89/557541689.db2.gz CWEUAOIUQXXEJP-CYBMUJFWSA-N 1 0 405.720 2.348 50 0 HEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)CC1 ZINC000004725540 557587219 /nfs/dbraw/zinc/58/72/19/557587219.db2.gz HMQOPIOEYACOEV-UHFFFAOYSA-N 1 0 419.522 2.217 50 0 HEAARO COc1cc(C[NH2+]C2CCCC2)cc(I)c1OCC(N)=O ZINC000005078348 557634397 /nfs/dbraw/zinc/63/43/97/557634397.db2.gz CJFQBOOSQMNMIZ-UHFFFAOYSA-N 1 0 404.248 2.196 50 0 HEAARO CCOc1cc(C[NH2+]CCSc2nnnn2C)cc(Br)c1OC ZINC000008253604 557778086 /nfs/dbraw/zinc/77/80/86/557778086.db2.gz QAXOAFKGWWFDQB-UHFFFAOYSA-N 1 0 402.318 2.262 50 0 HEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3CCN(Cc4ccco4)CC3)C2)CC1 ZINC000019743543 558264303 /nfs/dbraw/zinc/26/43/03/558264303.db2.gz QDLXDDUZBVDRMU-HXUWFJFHSA-N 1 0 404.555 2.483 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000011817338 558280723 /nfs/dbraw/zinc/28/07/23/558280723.db2.gz OZHMKVXKKBCATO-INIZCTEOSA-N 1 0 423.941 2.038 50 0 HEAARO COCCC(=O)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000011950267 558302790 /nfs/dbraw/zinc/30/27/90/558302790.db2.gz NABPQAJKHWBXHT-UHFFFAOYSA-N 1 0 401.551 2.085 50 0 HEAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN4CCCC4=O)C3)C2)c1 ZINC000012073230 558318271 /nfs/dbraw/zinc/31/82/71/558318271.db2.gz QTNFNECRELNVKX-JOCHJYFZSA-N 1 0 403.498 2.271 50 0 HEAARO COCC[NH+]1CCC(CNc2nc3nonc3nc2NCc2cccs2)CC1 ZINC000012432844 558406915 /nfs/dbraw/zinc/40/69/15/558406915.db2.gz MEPVZMDJJQPKJH-UHFFFAOYSA-N 1 0 403.512 2.457 50 0 HEAARO COCc1ccc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(C)cc2)CC3)o1 ZINC000020996117 558426799 /nfs/dbraw/zinc/42/67/99/558426799.db2.gz RMBUPKMUALOOEU-UHFFFAOYSA-N 1 0 409.490 2.314 50 0 HEAARO COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000012594703 558437128 /nfs/dbraw/zinc/43/71/28/558437128.db2.gz XCYVXDNMKRADMT-UHFFFAOYSA-N 1 0 405.539 2.403 50 0 HEAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)CC1 ZINC000012718932 558456393 /nfs/dbraw/zinc/45/63/93/558456393.db2.gz OIPWSGZBIHOUHY-IBGZPJMESA-N 1 0 411.546 2.219 50 0 HEAARO NC(=O)CN1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000012764166 558461591 /nfs/dbraw/zinc/46/15/91/558461591.db2.gz ZHMPHNVIBABZDD-HSZRJFAPSA-N 1 0 404.599 2.079 50 0 HEAARO CCOC(=O)N1CCN(C(=O)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)CC1 ZINC000022241785 558471580 /nfs/dbraw/zinc/47/15/80/558471580.db2.gz HBSJNMGSVRFPPB-UHFFFAOYSA-N 1 0 419.522 2.217 50 0 HEAARO NC(=O)Cn1cc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914682 558521068 /nfs/dbraw/zinc/52/10/68/558521068.db2.gz GLPBZQAHBJGMPA-NRFANRHFSA-N 1 0 406.530 2.195 50 0 HEAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000022930701 558524232 /nfs/dbraw/zinc/52/42/32/558524232.db2.gz RYQJAYTVMXOMKZ-UHFFFAOYSA-N 1 0 424.501 2.314 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000013576036 558543468 /nfs/dbraw/zinc/54/34/68/558543468.db2.gz LRBIMRVFMWSMMB-CDBMDMLJSA-N 1 0 419.481 2.154 50 0 HEAARO COc1ccc(C[N@@H+](Cc2cccs2)C[C@H](O)CN2CCOCC2)cc1OC ZINC000023763671 558575210 /nfs/dbraw/zinc/57/52/10/558575210.db2.gz VFURRMWBZJXWIJ-GOSISDBHSA-N 1 0 406.548 2.461 50 0 HEAARO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000023845669 558577763 /nfs/dbraw/zinc/57/77/63/558577763.db2.gz VONLKZCIKASBPD-UHFFFAOYSA-N 1 0 403.504 2.401 50 0 HEAARO CCCNC(=O)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000025230762 558635281 /nfs/dbraw/zinc/63/52/81/558635281.db2.gz WTTZYINTBIIMSK-LJQANCHMSA-N 1 0 408.546 2.299 50 0 HEAARO O=C(CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1)NC1CC1 ZINC000025231450 558635309 /nfs/dbraw/zinc/63/53/09/558635309.db2.gz OHZYZTGDQWMVDD-IBGZPJMESA-N 1 0 406.530 2.052 50 0 HEAARO COCCN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014531651 558656255 /nfs/dbraw/zinc/65/62/55/558656255.db2.gz WYHUGPDCPRXACJ-LJQANCHMSA-N 1 0 417.575 2.480 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)o1 ZINC000014964381 558685201 /nfs/dbraw/zinc/68/52/01/558685201.db2.gz GBLMDGDOPDKZFZ-UHFFFAOYSA-N 1 0 411.481 2.278 50 0 HEAARO COc1cccc(OCc2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CO)no2)c1 ZINC000014969478 558686803 /nfs/dbraw/zinc/68/68/03/558686803.db2.gz SHQYHFQWGAGWIO-INIZCTEOSA-N 1 0 403.479 2.229 50 0 HEAARO CSCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000014974500 558688822 /nfs/dbraw/zinc/68/88/22/558688822.db2.gz NUVZESWIAOSHBK-LJQANCHMSA-N 1 0 403.592 2.411 50 0 HEAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000072272385 558691241 /nfs/dbraw/zinc/69/12/41/558691241.db2.gz YCABGISCFZPBPO-QIYLELGZSA-N 1 0 417.550 2.241 50 0 HEAARO O=C(C=C1SC(=O)NC1=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000015005246 558698863 /nfs/dbraw/zinc/69/88/63/558698863.db2.gz KMESKSYXDIOSLA-WISAJEAXSA-N 1 0 415.515 2.183 50 0 HEAARO COc1cccc(-n2c(CNC(=O)c3ccccn3)nnc2SCC[NH+](C)C)c1 ZINC000015009286 558699729 /nfs/dbraw/zinc/69/97/29/558699729.db2.gz ICWFYUGHTQVAFN-UHFFFAOYSA-N 1 0 412.519 2.255 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000015070555 558712535 /nfs/dbraw/zinc/71/25/35/558712535.db2.gz OVVOHICFDQFGQC-UHFFFAOYSA-N 1 0 403.502 2.208 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016024722 558768561 /nfs/dbraw/zinc/76/85/61/558768561.db2.gz ILADSGPWFWVNAD-FDGPYGQJSA-N 1 0 419.481 2.155 50 0 HEAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(N(C)C)c2)c1 ZINC000035421836 558791145 /nfs/dbraw/zinc/79/11/45/558791145.db2.gz KGEKXZYBCLXCFW-UHFFFAOYSA-N 1 0 424.545 2.226 50 0 HEAARO COc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2cccc(OC)c2)cc1 ZINC000035421867 558791163 /nfs/dbraw/zinc/79/11/63/558791163.db2.gz UBVZVNWSXGHHKW-UHFFFAOYSA-N 1 0 411.502 2.168 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCC[NH+]1CCCCC1 ZINC000032987717 558807655 /nfs/dbraw/zinc/80/76/55/558807655.db2.gz WYSWXWDQERTMNS-UHFFFAOYSA-N 1 0 421.498 2.048 50 0 HEAARO CCCC(=O)Nc1ccc(C)n(CC(=O)N2CCC([NH+]3CCCCC3)CC2)c1=O ZINC000097938260 558824650 /nfs/dbraw/zinc/82/46/50/558824650.db2.gz RYHUZNWVDZOOOS-UHFFFAOYSA-N 1 0 402.539 2.372 50 0 HEAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072314229 558842136 /nfs/dbraw/zinc/84/21/36/558842136.db2.gz PVVBYURAADNYBB-VQIMIIECSA-N 1 0 407.942 2.275 50 0 HEAARO CCNc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071575335 558905491 /nfs/dbraw/zinc/90/54/91/558905491.db2.gz KZVWFPAABSSUBY-IBGZPJMESA-N 1 0 423.565 2.301 50 0 HEAARO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccc(OC)cc1 ZINC000058164003 558906451 /nfs/dbraw/zinc/90/64/51/558906451.db2.gz RAOGMRRNZPVCTL-UHFFFAOYSA-N 1 0 405.476 2.069 50 0 HEAARO O=C(c1cccc(F)c1)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 ZINC000071745606 558908429 /nfs/dbraw/zinc/90/84/29/558908429.db2.gz GCVNMFIQFVDZMG-SFHVURJKSA-N 1 0 403.498 2.001 50 0 HEAARO O=C([C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3)CC2)C1)N1CCCC1 ZINC000071751808 558908968 /nfs/dbraw/zinc/90/89/68/558908968.db2.gz HYTQXQRRBBQALM-SFHVURJKSA-N 1 0 405.564 2.174 50 0 HEAARO O=C(/C=C/c1ccco1)N1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1 ZINC000019535279 558913495 /nfs/dbraw/zinc/91/34/95/558913495.db2.gz IRASCFKJVFVWNK-VSJRMHGZSA-N 1 0 409.530 2.115 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004712560 558917820 /nfs/dbraw/zinc/91/78/20/558917820.db2.gz AJEKBBMWTOYONQ-KRWDZBQOSA-N 1 0 400.523 2.402 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCC[NH+]3[C@H](C)CCC[C@H]3C)C(=O)CC2)cc1 ZINC000004712523 558917826 /nfs/dbraw/zinc/91/78/26/558917826.db2.gz ZCXVXWVTJZRFLG-IAGOWNOFSA-N 1 0 400.523 2.401 50 0 HEAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cn1c2ccccc2n(CC)c(=O)c1=O ZINC000033068505 558962943 /nfs/dbraw/zinc/96/29/43/558962943.db2.gz NMDJPLANRMBDNS-LJQANCHMSA-N 1 0 422.529 2.210 50 0 HEAARO CCNc1nc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(C)[nH+]1 ZINC000065361877 558972579 /nfs/dbraw/zinc/97/25/79/558972579.db2.gz ZYYICJHBAOCXEW-UHFFFAOYSA-N 1 0 415.494 2.205 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000065364681 558975763 /nfs/dbraw/zinc/97/57/63/558975763.db2.gz NSUDAUBEPYZTOW-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000067339012 558986282 /nfs/dbraw/zinc/98/62/82/558986282.db2.gz OCFWWXZTIWUFBZ-UHFFFAOYSA-N 1 0 405.495 2.475 50 0 HEAARO C[NH+](C)CCN1CC2(CCN(C(=O)c3ccc(N4CCCC4)cc3)CC2)OC1=O ZINC000077428797 559004973 /nfs/dbraw/zinc/00/49/73/559004973.db2.gz ZTMPPIQWTNTDEM-UHFFFAOYSA-N 1 0 400.523 2.275 50 0 HEAARO Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n(C)n1 ZINC000082092330 559037169 /nfs/dbraw/zinc/03/71/69/559037169.db2.gz NWPDLMUJWSZULM-FQEVSTJZSA-N 1 0 410.566 2.116 50 0 HEAARO Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)o1 ZINC000082126509 559039888 /nfs/dbraw/zinc/03/98/88/559039888.db2.gz XCOTYBUEEWBADC-LJQANCHMSA-N 1 0 412.538 2.108 50 0 HEAARO Nc1ncccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082127937 559040069 /nfs/dbraw/zinc/04/00/69/559040069.db2.gz NPBHMGSHCVXJMA-LJQANCHMSA-N 1 0 408.550 2.052 50 0 HEAARO CN(CC(C)(C)CO)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082138275 559040433 /nfs/dbraw/zinc/04/04/33/559040433.db2.gz HDIDKXNHGLQFQC-HXUWFJFHSA-N 1 0 402.583 2.235 50 0 HEAARO Cc1c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)cnn1C ZINC000082160402 559041792 /nfs/dbraw/zinc/04/17/92/559041792.db2.gz MOISYXIAJMNARD-HXUWFJFHSA-N 1 0 410.566 2.116 50 0 HEAARO COc1cccc(-n2cc(Cn3ccnc3-c3cn(C4CC[NH2+]CC4)nn3)cn2)c1 ZINC000091587000 559072301 /nfs/dbraw/zinc/07/23/01/559072301.db2.gz IAAGPIYRRGFPCL-UHFFFAOYSA-N 1 0 404.478 2.309 50 0 HEAARO Cc1c2ccc(C)cc2oc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000095363643 559080127 /nfs/dbraw/zinc/08/01/27/559080127.db2.gz WQXSYRJBALLDII-RTBURBONSA-N 1 0 400.519 2.434 50 0 HEAARO COc1ccc(CN(C)Cc2cnn(C)c2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095520484 559085091 /nfs/dbraw/zinc/08/50/91/559085091.db2.gz AFXJIAPZOVZXDE-FQEVSTJZSA-N 1 0 402.539 2.205 50 0 HEAARO CC[NH+](CC)CCN1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn32)CC1 ZINC000023318568 559125612 /nfs/dbraw/zinc/12/56/12/559125612.db2.gz JDAAYLAKYBNLHN-UHFFFAOYSA-N 1 0 407.566 2.487 50 0 HEAARO CC[NH+](CC)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CSC2 ZINC000004941667 559213710 /nfs/dbraw/zinc/21/37/10/559213710.db2.gz DESIMJXJNOCCPC-UHFFFAOYSA-N 1 0 417.535 2.024 50 0 HEAARO Cc1cccn2cc(COc3ccc(C(=O)N(C)[C@@H]4CCS(=O)(=O)C4)cc3)nc12 ZINC000011701920 559226614 /nfs/dbraw/zinc/22/66/14/559226614.db2.gz OWRTYPZQRCIZBJ-GOSISDBHSA-N 1 0 413.499 2.481 50 0 HEAARO CC[NH+](CC)CCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C ZINC000005058474 559238741 /nfs/dbraw/zinc/23/87/41/559238741.db2.gz OAGNDDNKICPYQA-UHFFFAOYSA-N 1 0 407.536 2.331 50 0 HEAARO Nc1nc(-n2cccn2)cc(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)[nH+]1 ZINC000253422970 559280417 /nfs/dbraw/zinc/28/04/17/559280417.db2.gz NMLHHRUOZCCWDG-UHFFFAOYSA-N 1 0 413.507 2.031 50 0 HEAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2cc(C)on2)c2c1CCCC2 ZINC000005254373 560552001 /nfs/dbraw/zinc/55/20/01/560552001.db2.gz SXXGUAAGEOQPFO-UHFFFAOYSA-N 1 0 419.551 2.491 50 0 HEAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000062581724 560632090 /nfs/dbraw/zinc/63/20/90/560632090.db2.gz DIMZZKBXXKBDTL-MSOLQXFVSA-N 1 0 407.518 2.411 50 0 HEAARO O=C(CCC(=O)N1CCN(c2ccccn2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000101147593 560788484 /nfs/dbraw/zinc/78/84/84/560788484.db2.gz GJGGJRVJRKQQDU-UHFFFAOYSA-N 1 0 414.413 2.019 50 0 HEAARO CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000105183649 560868851 /nfs/dbraw/zinc/86/88/51/560868851.db2.gz FQALTMVAQSOUSZ-UHFFFAOYSA-N 1 0 412.534 2.268 50 0 HEAARO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000107053179 560895006 /nfs/dbraw/zinc/89/50/06/560895006.db2.gz ZQNMPBDFERNXIM-VXGBXAGGSA-N 1 0 402.358 2.381 50 0 HEAARO COCCn1nc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)ccc1=O ZINC000048310383 568436674 /nfs/dbraw/zinc/43/66/74/568436674.db2.gz LJLPUPDRWIFLGK-HDICACEKSA-N 1 0 412.534 2.298 50 0 HEAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 ZINC000012233709 568454619 /nfs/dbraw/zinc/45/46/19/568454619.db2.gz FHNVJRYQHYAYRL-QGZVFWFLSA-N 1 0 412.538 2.339 50 0 HEAARO CCOC(=O)c1n[nH]cc1CN(Cc1ccncc1)CC1CC[NH+](CCOC)CC1 ZINC000012305746 568464550 /nfs/dbraw/zinc/46/45/50/568464550.db2.gz IKJLHFFQQMNGNV-UHFFFAOYSA-N 1 0 415.538 2.342 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)CSc2nccnc2Sc2ccccc2)CC1 ZINC000033288911 568513612 /nfs/dbraw/zinc/51/36/12/568513612.db2.gz ZJFOBBPWKMIXPS-UHFFFAOYSA-N 1 0 417.604 2.474 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@H](C)CC)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 ZINC000020214270 568594778 /nfs/dbraw/zinc/59/47/78/568594778.db2.gz KNRVBYUXFRNVLV-QRWLVFNGSA-N 1 0 418.513 2.413 50 0 HEAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000020410679 568605249 /nfs/dbraw/zinc/60/52/49/568605249.db2.gz KNFPTXPJFPQXSU-QPXQOZNCSA-N 1 0 403.438 2.126 50 0 biogenic HEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)CC1 ZINC000095432326 568609347 /nfs/dbraw/zinc/60/93/47/568609347.db2.gz WAXKNGLMEBKUAP-OXJNMPFZSA-N 1 0 414.550 2.342 50 0 HEAARO CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)CC1 ZINC000095432324 568609358 /nfs/dbraw/zinc/60/93/58/568609358.db2.gz WAXKNGLMEBKUAP-JXFKEZNVSA-N 1 0 414.550 2.342 50 0 HEAARO COc1cccc(C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C2CC2)c1 ZINC000095461202 568620627 /nfs/dbraw/zinc/62/06/27/568620627.db2.gz DKFLAKGUEWHLRH-HXUWFJFHSA-N 1 0 405.458 2.352 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](CC(C)C)N3)CC1 ZINC000020682694 568640112 /nfs/dbraw/zinc/64/01/12/568640112.db2.gz DVHDGKCNXRFNDV-HXUWFJFHSA-N 1 0 401.555 2.223 50 0 HEAARO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000096013551 568685501 /nfs/dbraw/zinc/68/55/01/568685501.db2.gz YBXGYLJQLDPEAN-UYAOXDASSA-N 1 0 405.539 2.113 50 0 HEAARO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096230741 568706886 /nfs/dbraw/zinc/70/68/86/568706886.db2.gz FGYVIIOAZBWZLA-FQEVSTJZSA-N 1 0 424.501 2.261 50 0 HEAARO C[C@@H](CN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccs1)c1ccccc1 ZINC000021534299 568711528 /nfs/dbraw/zinc/71/15/28/568711528.db2.gz YZULPJRCEMQHBO-KRWDZBQOSA-N 1 0 421.588 2.364 50 0 HEAARO Cc1ccc(-n2c3ncccc3n(CC(=O)NCC[N@H+]3CCCC[C@H]3C)c2=O)cc1 ZINC000096385611 568741953 /nfs/dbraw/zinc/74/19/53/568741953.db2.gz IBHWPCRIIMLYHA-GOSISDBHSA-N 1 0 407.518 2.486 50 0 HEAARO CCOCCC[N@H+](C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 ZINC000021888035 568758812 /nfs/dbraw/zinc/75/88/12/568758812.db2.gz OGCMYRBEANCUAZ-UHFFFAOYSA-N 1 0 423.579 2.473 50 0 HEAARO Cc1cnc2c(cccc2S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCCCC3)CC2)c1 ZINC000096999965 568766115 /nfs/dbraw/zinc/76/61/15/568766115.db2.gz TXJKHXFALZUKNU-UHFFFAOYSA-N 1 0 416.547 2.038 50 0 HEAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579337 568770465 /nfs/dbraw/zinc/77/04/65/568770465.db2.gz JCJDOPVLSHJNSV-FQEVSTJZSA-N 1 0 407.511 2.101 50 0 HEAARO C[NH+](C)[C@@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000230078751 568831582 /nfs/dbraw/zinc/83/15/82/568831582.db2.gz QHZKNAZWHFFRKC-WIOPSUGQSA-N 1 0 412.493 2.354 50 0 HEAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1cccc(Cl)c1 ZINC000299771257 568874347 /nfs/dbraw/zinc/87/43/47/568874347.db2.gz UYTUMHFKDWANKB-IBGZPJMESA-N 1 0 405.926 2.314 50 0 HEAARO O=C1C[C@H](C[N@H+]2CCc3nnc(Cc4cccnc4)n3CC2)CN1c1ccccc1 ZINC000299772814 568874435 /nfs/dbraw/zinc/87/44/35/568874435.db2.gz AFOCWNSHVQOZKN-LJQANCHMSA-N 1 0 402.502 2.175 50 0 HEAARO Cc1cc(C)cc(C(=O)NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299774823 568874579 /nfs/dbraw/zinc/87/45/79/568874579.db2.gz IMMKMPSZEJUHIW-QFIPXVFZSA-N 1 0 413.562 2.383 50 0 HEAARO Cc1ccc(C)c(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299782979 568875135 /nfs/dbraw/zinc/87/51/35/568875135.db2.gz TXEJQRYGZOTWHA-OAQYLSRUSA-N 1 0 413.562 2.383 50 0 HEAARO O=C(NC[C@@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccccc1Cl ZINC000299786831 568875532 /nfs/dbraw/zinc/87/55/32/568875532.db2.gz NXPFSKZYBRQFDY-QGZVFWFLSA-N 1 0 405.926 2.314 50 0 HEAARO O=c1c2c3c(sc2ncn1CCN1CCOCC1)C[C@H]([NH2+]Cc1ccccc1)CC3 ZINC000299799467 568876518 /nfs/dbraw/zinc/87/65/18/568876518.db2.gz RWZKSDXVFIDKMB-GOSISDBHSA-N 1 0 424.570 2.437 50 0 HEAARO COc1cccc(SCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)c1 ZINC000670443807 568906849 /nfs/dbraw/zinc/90/68/49/568906849.db2.gz YMNPFQPAYWRELT-WHKWTHTOSA-N 1 0 423.582 2.471 50 0 HEAARO CC(C)[NH+]1CCN(C(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)CC1 ZINC000263615613 568910600 /nfs/dbraw/zinc/91/06/00/568910600.db2.gz DFOCLTHZICRDIQ-UHFFFAOYSA-N 1 0 410.566 2.377 50 0 HEAARO O=C(CCN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000084340720 568946939 /nfs/dbraw/zinc/94/69/39/568946939.db2.gz WONQJNHABOUJAN-CQSZACIVSA-N 1 0 400.292 2.323 50 0 HEAARO O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2[nH]1 ZINC000012768157 568949647 /nfs/dbraw/zinc/94/96/47/568949647.db2.gz MNHFOXNSWRHIPL-UHFFFAOYSA-N 1 0 400.504 2.321 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000229702758 568954639 /nfs/dbraw/zinc/95/46/39/568954639.db2.gz ZVVINHNERSCXLG-HOJAQTOUSA-N 1 0 407.580 2.370 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 ZINC000007980235 568963554 /nfs/dbraw/zinc/96/35/54/568963554.db2.gz SMABONJUFNTPMF-UHFFFAOYSA-N 1 0 421.501 2.107 50 0 HEAARO Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCC[NH+](C)C)C(=O)CS2 ZINC000015735097 568984401 /nfs/dbraw/zinc/98/44/01/568984401.db2.gz WHYBTLZGJMJINW-UHFFFAOYSA-N 1 0 401.536 2.077 50 0 HEAARO CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000008406346 569001538 /nfs/dbraw/zinc/00/15/38/569001538.db2.gz VWPLWSAXGKWJNO-UHFFFAOYSA-N 1 0 401.532 2.463 50 0 HEAARO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000012917926 569022628 /nfs/dbraw/zinc/02/26/28/569022628.db2.gz HQROQANIKVSLKT-UHFFFAOYSA-N 1 0 401.532 2.427 50 0 HEAARO CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](C(CC)CC)N2CCOCC2)cc1 ZINC000012948075 569029236 /nfs/dbraw/zinc/02/92/36/569029236.db2.gz DVPOWDXERLZUKW-LJQANCHMSA-N 1 0 412.552 2.279 50 0 HEAARO COc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1NC(C)=O ZINC000241776826 569054852 /nfs/dbraw/zinc/05/48/52/569054852.db2.gz RTADAJSODPTREY-IBGZPJMESA-N 1 0 403.504 2.331 50 0 HEAARO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CCCCC1 ZINC000006589397 569068082 /nfs/dbraw/zinc/06/80/82/569068082.db2.gz IXVPYPYHPUSIGH-UHFFFAOYSA-N 1 0 422.576 2.292 50 0 HEAARO CCN1CCN(C(=O)c2cnc(-c3ccccc3)nc2N2CC[NH+](CC)CC2)CC1 ZINC000036001275 569075070 /nfs/dbraw/zinc/07/50/70/569075070.db2.gz PKVINNUQYYFGIO-UHFFFAOYSA-N 1 0 408.550 2.063 50 0 HEAARO CC1CC[NH+](CCCNC(=O)c2nc(-c3ccc(N4CCOCC4)cc3)no2)CC1 ZINC000064746493 569088526 /nfs/dbraw/zinc/08/85/26/569088526.db2.gz KJSOMEQWJKBTCO-UHFFFAOYSA-N 1 0 413.522 2.425 50 0 HEAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCC2)c1=O)CC[C@@H](C)C3 ZINC000006764634 569114372 /nfs/dbraw/zinc/11/43/72/569114372.db2.gz JPPQYLLUOJLTJJ-CQSZACIVSA-N 1 0 419.547 2.008 50 0 HEAARO Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)s1 ZINC000006806203 569130930 /nfs/dbraw/zinc/13/09/30/569130930.db2.gz MKVDJBFTCJQLNB-QGZVFWFLSA-N 1 0 402.568 2.374 50 0 HEAARO O=S(=O)(c1cccs1)N1CCC2(CC1)NCC[NH+]=C2NCc1cccc(F)c1 ZINC000065074776 569169129 /nfs/dbraw/zinc/16/91/29/569169129.db2.gz BRJKQVFAHKAQLO-UHFFFAOYSA-N 1 0 422.551 2.202 50 0 biogenic HEAARO CCn1c(C[N@@H+]2CCC[C@@H](C)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000006908105 569178720 /nfs/dbraw/zinc/17/87/20/569178720.db2.gz NCOQCEAQLYOWIY-MRXNPFEDSA-N 1 0 406.552 2.309 50 0 HEAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2cnc(N3CCCC3)nc2)CC1 ZINC000065166394 569188790 /nfs/dbraw/zinc/18/87/90/569188790.db2.gz VLXVCFWQQQLUIS-UHFFFAOYSA-N 1 0 400.571 2.285 50 0 HEAARO CN(C)c1ncncc1N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000065226172 569199803 /nfs/dbraw/zinc/19/98/03/569199803.db2.gz JIIRYPRZZAVSAQ-UHFFFAOYSA-N 1 0 400.571 2.236 50 0 HEAARO CCOC(=O)N1CCN(C(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000065255747 569207907 /nfs/dbraw/zinc/20/79/07/569207907.db2.gz DSWYDQNWRUOSOZ-HXUWFJFHSA-N 1 0 423.517 2.147 50 0 HEAARO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065587306 569236365 /nfs/dbraw/zinc/23/63/65/569236365.db2.gz FFPSISADFSBNFH-CQSZACIVSA-N 1 0 412.303 2.405 50 0 HEAARO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000170599768 569242777 /nfs/dbraw/zinc/24/27/77/569242777.db2.gz YZNYCCKMSMJLHZ-QZTJIDSGSA-N 1 0 424.586 2.273 50 0 HEAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH+]1 ZINC000017012889 569271401 /nfs/dbraw/zinc/27/14/01/569271401.db2.gz IQDDQEIMDXMPKR-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCC[C@H]2c2cccn2C)C1=O ZINC000252444234 569285936 /nfs/dbraw/zinc/28/59/36/569285936.db2.gz XKSHWGCWLPXFFS-PGRDOPGGSA-N 1 0 409.490 2.051 50 0 HEAARO O=C(C[C@H]1NC(=O)N(c2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000252496903 569290873 /nfs/dbraw/zinc/29/08/73/569290873.db2.gz PULZXIRAVWIPNH-HXUWFJFHSA-N 1 0 406.486 2.487 50 0 HEAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)c4cccn4C)CC3)C2)CC1 ZINC000581819879 569320861 /nfs/dbraw/zinc/32/08/61/569320861.db2.gz PQTQVVYAEXTNIP-HXUWFJFHSA-N 1 0 402.583 2.453 50 0 HEAARO CCCS(=O)(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(CC(C)C)CC1)CCO2 ZINC000581819844 569320882 /nfs/dbraw/zinc/32/08/82/569320882.db2.gz OMCDHLWNJPGAMH-IBGZPJMESA-N 1 0 401.617 2.013 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000253388024 569364971 /nfs/dbraw/zinc/36/49/71/569364971.db2.gz WDKZIRCIAYUKBA-GUDVDZBRSA-N 1 0 407.580 2.372 50 0 HEAARO CS[C@H]1CC[C@@H]([N@H+](C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000078947787 569421933 /nfs/dbraw/zinc/42/19/33/569421933.db2.gz ANJNLPORIAPWFC-AEFFLSMTSA-N 1 0 414.593 2.302 50 0 HEAARO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000067286646 571064387 /nfs/dbraw/zinc/06/43/87/571064387.db2.gz MNYMROQJRQLXOL-OAQYLSRUSA-N 1 0 412.534 2.418 50 0 HEAARO COc1cc(=O)n2c(c1C(=O)N[C@@H](c1nc3cc(C)ccc3[nH]1)C(C)C)CC[NH2+]CC2 ZINC000670472606 571096432 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0 HEAARO CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(COCc3ccccc3)CC2)CC1 ZINC000070655717 571271596 /nfs/dbraw/zinc/27/15/96/571271596.db2.gz JAKPJUDMGIQEDS-UHFFFAOYSA-N 1 0 403.523 2.216 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)CC1 ZINC000033174358 571315870 /nfs/dbraw/zinc/31/58/70/571315870.db2.gz LNDFXZBWRPZMPS-QGZVFWFLSA-N 1 0 401.580 2.266 50 0 HEAARO Cc1ccc(NC(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)[N@H+](C)C3)CC2)cc1C ZINC000581802807 1078772482 /nfs/dbraw/zinc/77/24/82/1078772482.db2.gz PEEDLCZWWPGYFK-FQEVSTJZSA-N 1 0 414.550 2.480 50 0 HEAARO CC[N@H+](CCCNC(=O)C1CCN(c2cnn(C)c(=O)c2)CC1)Cc1ccccc1 ZINC000575196839 1076147064 /nfs/dbraw/zinc/14/70/64/1076147064.db2.gz UICWIEAKQSYFPR-UHFFFAOYSA-N 1 0 411.550 2.025 50 0 HEAARO COc1ccccc1N1CC[NH+](CCCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1 ZINC000002183634 132249120 /nfs/dbraw/zinc/24/91/20/132249120.db2.gz NMXMKHRTIDKBIR-IBGZPJMESA-N 1 0 400.523 2.414 50 0 HEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000004079997 132270887 /nfs/dbraw/zinc/27/08/87/132270887.db2.gz VQQGQOFJSQIRDD-UHFFFAOYSA-N 1 0 413.474 2.251 50 0 HEAARO CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000004299531 132274425 /nfs/dbraw/zinc/27/44/25/132274425.db2.gz GKUYUHNWUPCTPR-OALUTQOASA-N 1 0 419.522 2.215 50 0 HEAARO CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000004299533 132274481 /nfs/dbraw/zinc/27/44/81/132274481.db2.gz GKUYUHNWUPCTPR-RBUKOAKNSA-N 1 0 419.522 2.215 50 0 HEAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012764093 132366794 /nfs/dbraw/zinc/36/67/94/132366794.db2.gz KZRZQRJGODMMEF-FQEVSTJZSA-N 1 0 413.497 2.366 50 0 HEAARO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CC1 ZINC000072313573 522554127 /nfs/dbraw/zinc/55/41/27/522554127.db2.gz XZTNRYLWPQJVBR-KRWDZBQOSA-N 1 0 404.511 2.133 50 0 HEAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766190 523821310 /nfs/dbraw/zinc/82/13/10/523821310.db2.gz DDCMAPQZVZKXLH-SFHVURJKSA-N 1 0 416.547 2.109 50 0 HEAARO Cc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)cc1 ZINC000045944302 525511049 /nfs/dbraw/zinc/51/10/49/525511049.db2.gz KWJXMDZYBYBRBY-UHFFFAOYSA-N 1 0 415.559 2.050 50 0 HEAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)CN1CC[NH+](CC2CCC2)CC1 ZINC000020536710 527037662 /nfs/dbraw/zinc/03/76/62/527037662.db2.gz ZISYHVVTJHORAG-JOCHJYFZSA-N 1 0 407.505 2.236 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccccc3)CC2)=[NH+][C@H]1c1ccccc1 ZINC000002227471 535502263 /nfs/dbraw/zinc/50/22/63/535502263.db2.gz GJZQWFUJWDYITH-PMACEKPBSA-N 1 0 406.486 2.215 50 0 HEAARO [NH3+][C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F ZINC000001489478 557270075 /nfs/dbraw/zinc/27/00/75/557270075.db2.gz MFFMDFFZMYYVKS-SECBINFHSA-N 1 0 407.318 2.017 50 0 fda HEAARO O=S(=O)(c1cccc2c(I)cccc21)N1CCC[NH2+]CC1 ZINC000002597113 557359124 /nfs/dbraw/zinc/35/91/24/557359124.db2.gz GEHJIACZUFWBTK-UHFFFAOYSA-N 1 0 416.284 2.428 50 0 in-vitro HEAARO CCCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3F)co2)CC1 ZINC000034677588 557365211 /nfs/dbraw/zinc/36/52/11/557365211.db2.gz ZMNJDHUVWLBPRE-SFHVURJKSA-N 1 0 418.513 2.412 50 0 HEAARO O=C(NCC[NH+]1CCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O ZINC000034811296 557464242 /nfs/dbraw/zinc/46/42/42/557464242.db2.gz UGTXRBGYGAIHDG-UHFFFAOYSA-N 1 0 419.888 2.157 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2c(C)cccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022778547 557821122 /nfs/dbraw/zinc/82/11/22/557821122.db2.gz VARYJVLEIDXWDK-NRFANRHFSA-N 1 0 424.545 2.355 50 0 HEAARO C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000022778688 557821484 /nfs/dbraw/zinc/82/14/84/557821484.db2.gz YXXZAANTXFBFKZ-DYESRHJHSA-N 1 0 412.509 2.108 50 0 HEAARO Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1 ZINC000022796230 557823070 /nfs/dbraw/zinc/82/30/70/557823070.db2.gz ABWNZTLBMLSMHY-OAQYLSRUSA-N 1 0 412.509 2.486 50 0 HEAARO Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000009194438 557827293 /nfs/dbraw/zinc/82/72/93/557827293.db2.gz SVQPGJYPWXLKMD-UHFFFAOYSA-N 1 0 401.854 2.404 50 0 HEAARO COc1cccc2ccc(C[N@H+]3CCc4nnc([C@H](C)NC(=O)C5CC5)n4CC3)nc21 ZINC000011790302 558277146 /nfs/dbraw/zinc/27/71/46/558277146.db2.gz YOONMBUFSJQQBO-HNNXBMFYSA-N 1 0 420.517 2.480 50 0 HEAARO COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccccc1OC)CC2 ZINC000011880157 558294682 /nfs/dbraw/zinc/29/46/82/558294682.db2.gz ZQZIHHGEYMPDHS-SFHVURJKSA-N 1 0 415.538 2.195 50 0 HEAARO COc1cc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(C)=O)n3CC2)ccc1O ZINC000011973489 558305294 /nfs/dbraw/zinc/30/52/94/558305294.db2.gz WSQFPLDWERIREO-KRWDZBQOSA-N 1 0 401.511 2.274 50 0 HEAARO COC[C@@H]1CCCN(Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)C1 ZINC000019939733 558313716 /nfs/dbraw/zinc/31/37/16/558313716.db2.gz PQNCMUFFKNJQRC-MRXNPFEDSA-N 1 0 405.568 2.032 50 0 HEAARO O=C(NCc1nnc2n1CC[N@H+](C1CCSCC1)CC2)c1c(F)cccc1F ZINC000012079402 558320598 /nfs/dbraw/zinc/32/05/98/558320598.db2.gz LUEAKCXYOFQPQN-UHFFFAOYSA-N 1 0 407.490 2.240 50 0 HEAARO O=C(NCc1nnc2n1CC[N@@H+](Cc1ccc3c(c1)CCO3)CC2)c1cccc(F)c1 ZINC000012080166 558320842 /nfs/dbraw/zinc/32/08/42/558320842.db2.gz WMJVXZIYJSIORF-UHFFFAOYSA-N 1 0 421.476 2.340 50 0 HEAARO CC[C@H](C)C(=O)NCc1nnc2n1CC[N@@H+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000012163992 558342196 /nfs/dbraw/zinc/34/21/96/558342196.db2.gz BFOUIMGYGDUJBA-HNNXBMFYSA-N 1 0 401.511 2.016 50 0 HEAARO CN1CCC([N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000020201193 558345722 /nfs/dbraw/zinc/34/57/22/558345722.db2.gz QLENXLQVAJPGRF-NRFANRHFSA-N 1 0 400.567 2.092 50 0 HEAARO COc1ccccc1C[N@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000020212159 558347935 /nfs/dbraw/zinc/34/79/35/558347935.db2.gz VZNHRBQXOIEANO-UHFFFAOYSA-N 1 0 409.465 2.414 50 0 HEAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](n2cnnn2)C[N@@H+]1C1C2CC3CC(C2)CC1C3 ZINC000012280071 558365192 /nfs/dbraw/zinc/36/51/92/558365192.db2.gz OWVODNROVKCMMJ-DVXIDMMASA-N 1 0 420.561 2.472 50 0 HEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)CC1 ZINC000020455187 558369036 /nfs/dbraw/zinc/36/90/36/558369036.db2.gz VGSKMYIOTHBTDF-QGZVFWFLSA-N 1 0 407.584 2.482 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)CCc2ccc(=O)[nH]n2)C1 ZINC000012299996 558370106 /nfs/dbraw/zinc/37/01/06/558370106.db2.gz AGXBQAOKQVMAQG-GOSISDBHSA-N 1 0 412.534 2.124 50 0 HEAARO C[C@H](c1ccon1)N(C)Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000012301689 558371581 /nfs/dbraw/zinc/37/15/81/558371581.db2.gz FFMNVIYFPXMFGW-CQSZACIVSA-N 1 0 402.524 2.355 50 0 HEAARO CCCCc1nc(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c[nH]1 ZINC000012316704 558379982 /nfs/dbraw/zinc/37/99/82/558379982.db2.gz YMJFCYYLNOBBNJ-UHFFFAOYSA-N 1 0 417.598 2.288 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(OC)c1 ZINC000020637147 558396422 /nfs/dbraw/zinc/39/64/22/558396422.db2.gz GVHHKAKNXSXCRW-PMACEKPBSA-N 1 0 407.470 2.460 50 0 HEAARO CCCCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000012430808 558405514 /nfs/dbraw/zinc/40/55/14/558405514.db2.gz YTWOWUAVRBXCBQ-GOSISDBHSA-N 1 0 401.555 2.384 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000071999706 558416805 /nfs/dbraw/zinc/41/68/05/558416805.db2.gz SALIQFNDAWBGNM-UHFFFAOYSA-N 1 0 420.355 2.392 50 0 HEAARO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@@H+](CCCc1ccccc1)CC2 ZINC000012572814 558429776 /nfs/dbraw/zinc/42/97/76/558429776.db2.gz HCXRZJBFFWPHPL-LJQANCHMSA-N 1 0 405.568 2.015 50 0 HEAARO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000022015846 558458147 /nfs/dbraw/zinc/45/81/47/558458147.db2.gz BPDYDQDDGVKALN-UHFFFAOYSA-N 1 0 402.564 2.477 50 0 HEAARO CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1=O ZINC000022509229 558492729 /nfs/dbraw/zinc/49/27/29/558492729.db2.gz GKICOBVEZQGEEJ-SFHVURJKSA-N 1 0 407.518 2.387 50 0 HEAARO Cn1c2nc(NCCCCCC[NH3+])n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000013512745 558535864 /nfs/dbraw/zinc/53/58/64/558535864.db2.gz IGMFIOCDDJOTJO-UHFFFAOYSA-N 1 0 418.929 2.066 50 0 HEAARO O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023736306 558572129 /nfs/dbraw/zinc/57/21/29/558572129.db2.gz ZYSKVEXMFLGHDM-UHFFFAOYSA-N 1 0 412.534 2.397 50 0 HEAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCCN1CCOCC1)C2 ZINC000014754740 558671755 /nfs/dbraw/zinc/67/17/55/558671755.db2.gz JETFIKJJOKLHLA-LJQANCHMSA-N 1 0 417.598 2.088 50 0 HEAARO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000014882730 558676733 /nfs/dbraw/zinc/67/67/33/558676733.db2.gz DWJFRBCABIMMMI-HNNXBMFYSA-N 1 0 403.552 2.272 50 0 HEAARO C[C@H](C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)N1CCOCC1 ZINC000014985290 558692797 /nfs/dbraw/zinc/69/27/97/558692797.db2.gz ADDXXNYNNWJHSV-CTNGQTDRSA-N 1 0 401.551 2.037 50 0 HEAARO CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH+](Cc2ccc(COC)o2)CC3)CC1 ZINC000015068848 558711467 /nfs/dbraw/zinc/71/14/67/558711467.db2.gz OASKRNDGNKXONX-IBGZPJMESA-N 1 0 419.522 2.329 50 0 HEAARO COc1cc(C[NH2+]Cc2ccccc2C)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000015070154 558712370 /nfs/dbraw/zinc/71/23/70/558712370.db2.gz WRFCCCNVMCRBJP-NRFANRHFSA-N 1 0 400.519 2.365 50 0 HEAARO COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CCN(Cc2ccon2)CC1 ZINC000015079791 558718402 /nfs/dbraw/zinc/71/84/02/558718402.db2.gz WHPLKWAEDVCVOB-UHFFFAOYSA-N 1 0 402.495 2.018 50 0 HEAARO CSCC[C@H]1[NH2+][C@@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000016022256 558768159 /nfs/dbraw/zinc/76/81/59/558768159.db2.gz KZZWSFLSIRDUQY-GXNBUGAJSA-N 1 0 405.495 2.098 50 0 HEAARO CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000072309459 558773448 /nfs/dbraw/zinc/77/34/48/558773448.db2.gz LBEBQRWIKRFPFQ-QGZVFWFLSA-N 1 0 424.973 2.170 50 0 HEAARO Cc1ccc(NC(=O)c2nnc(COCC(=O)NCC[NH+]3CCCCC3)s2)cc1 ZINC000032987454 558807314 /nfs/dbraw/zinc/80/73/14/558807314.db2.gz KIBQQJLDXXDYIB-UHFFFAOYSA-N 1 0 417.535 2.218 50 0 HEAARO O=C(CSCc1nnc(C(=O)Nc2ccccc2)s1)NCC[NH+]1CCCC1 ZINC000032987226 558808670 /nfs/dbraw/zinc/80/86/70/558808670.db2.gz PDRNYMXRBHVTMO-UHFFFAOYSA-N 1 0 405.549 2.236 50 0 HEAARO Cc1cccc(S(=O)(=O)Nc2cc(C(=O)NC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033804 558857765 /nfs/dbraw/zinc/85/77/65/558857765.db2.gz HJESCVCPXSDFMQ-UHFFFAOYSA-N 1 0 416.547 2.344 50 0 HEAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1 ZINC000033034188 558858277 /nfs/dbraw/zinc/85/82/77/558858277.db2.gz PIEWGYJWNHFLOH-UHFFFAOYSA-N 1 0 402.520 2.037 50 0 HEAARO CCCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2cccc(C)c2)c1 ZINC000033034222 558858444 /nfs/dbraw/zinc/85/84/44/558858444.db2.gz QDOBOQONCTUJRO-UHFFFAOYSA-N 1 0 416.547 2.345 50 0 HEAARO O=C(CCCN1CCCC1=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055284713 558878510 /nfs/dbraw/zinc/87/85/10/558878510.db2.gz PGWPUXYXBQKAGY-OAQYLSRUSA-N 1 0 416.541 2.341 50 0 HEAARO C[C@H](CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000055540841 558882145 /nfs/dbraw/zinc/88/21/45/558882145.db2.gz KMFRYIUCGHRGCY-GOSISDBHSA-N 1 0 407.580 2.077 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)c2ccccc2-c2ocnc2C(=O)OC)CC1 ZINC000033131202 558887680 /nfs/dbraw/zinc/88/76/80/558887680.db2.gz KGCRAYJDVODHRD-UHFFFAOYSA-N 1 0 414.506 2.276 50 0 HEAARO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cc4c(cc3Cl)NC(=O)CO4)CC2)CCO1 ZINC000058159829 558904801 /nfs/dbraw/zinc/90/48/01/558904801.db2.gz DYULUAOVUIVYAL-GFCCVEGCSA-N 1 0 408.886 2.388 50 0 HEAARO CCNc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071575338 558905449 /nfs/dbraw/zinc/90/54/49/558905449.db2.gz KZVWFPAABSSUBY-LJQANCHMSA-N 1 0 423.565 2.301 50 0 HEAARO Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000071747781 558908665 /nfs/dbraw/zinc/90/86/65/558908665.db2.gz XIKFJTYABRNAAO-FQEVSTJZSA-N 1 0 410.566 2.448 50 0 HEAARO O=C(c1cn2ccsc2n1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071748517 558908687 /nfs/dbraw/zinc/90/86/87/558908687.db2.gz FJUOOVULURWENQ-MRXNPFEDSA-N 1 0 415.563 2.335 50 0 HEAARO Cc1cccc2c1ncn(CC(=O)N1CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC1)c2=O ZINC000058227336 558913640 /nfs/dbraw/zinc/91/36/40/558913640.db2.gz KYNSSMPCAJMAEK-ROUUACIJSA-N 1 0 412.534 2.053 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCC[NH+]3CCCCC3)CC2)cc1 ZINC000033254548 558918386 /nfs/dbraw/zinc/91/83/86/558918386.db2.gz KYGMDBBGJOBCCL-UHFFFAOYSA-N 1 0 407.580 2.388 50 0 HEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Cc3ccc(-n4cccn4)cc3)cn2)CC1 ZINC000058314623 558919257 /nfs/dbraw/zinc/91/92/57/558919257.db2.gz ZIOAVRYWWYPNFB-UHFFFAOYSA-N 1 0 404.518 2.268 50 0 HEAARO Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccc(F)cc3)[nH+]c(C)n2)c1C ZINC000072119352 558927917 /nfs/dbraw/zinc/92/79/17/558927917.db2.gz VYURZNLLPNPBMH-UHFFFAOYSA-N 1 0 404.471 2.117 50 0 HEAARO CN(CC[NH+](C)C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000072125700 558928288 /nfs/dbraw/zinc/92/82/88/558928288.db2.gz GQZMZDHDPHXSBX-JOCHJYFZSA-N 1 0 408.546 2.064 50 0 HEAARO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000065362211 558972793 /nfs/dbraw/zinc/97/27/93/558972793.db2.gz PIPRCDYMTGKBGL-QGZVFWFLSA-N 1 0 401.960 2.403 50 0 HEAARO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1N(C)S(C)(=O)=O ZINC000065362605 558973451 /nfs/dbraw/zinc/97/34/51/558973451.db2.gz FCMPIUWTYQZIJO-UHFFFAOYSA-N 1 0 416.547 2.395 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065363468 558974496 /nfs/dbraw/zinc/97/44/96/558974496.db2.gz VTBLXIPEPGYSCH-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO Cc1cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)nc(N2CCCC2)[nH+]1 ZINC000067604599 558988616 /nfs/dbraw/zinc/98/86/16/558988616.db2.gz XEDVBLBKUHIADV-UHFFFAOYSA-N 1 0 406.490 2.418 50 0 HEAARO CC(C)CC(=O)N1CCN([C@H](C(=O)NCC[NH+]2CCCCC2)C2CCCC2)CC1 ZINC000036254995 559013053 /nfs/dbraw/zinc/01/30/53/559013053.db2.gz QAHBUPCGQWZPRQ-QFIPXVFZSA-N 1 0 406.615 2.338 50 0 HEAARO CCC(=O)N1CCCC[C@@H](NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000082115974 559039271 /nfs/dbraw/zinc/03/92/71/559039271.db2.gz ONWWLLASCFJNRY-HXUWFJFHSA-N 1 0 400.567 2.414 50 0 HEAARO CCOCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000082120377 559039326 /nfs/dbraw/zinc/03/93/26/559039326.db2.gz MIGSZEIGBHMEKG-HXUWFJFHSA-N 1 0 401.551 2.085 50 0 HEAARO CSCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082120451 559039335 /nfs/dbraw/zinc/03/93/35/559039335.db2.gz SAIGYEKCSHIFEB-KRWDZBQOSA-N 1 0 404.580 2.154 50 0 HEAARO CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082120913 559039601 /nfs/dbraw/zinc/03/96/01/559039601.db2.gz YGTQRBMYAVGRQM-OAQYLSRUSA-N 1 0 410.566 2.150 50 0 HEAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)Nc1ccc(F)cc1 ZINC000008769212 559064725 /nfs/dbraw/zinc/06/47/25/559064725.db2.gz OXKBAZJXSRCCQK-UHFFFAOYSA-N 1 0 410.449 2.351 50 0 HEAARO O=C(CN1C(=O)NC2(CC[NH+](Cc3ccccc3)CC2)C1=O)Nc1cccc(F)c1 ZINC000008769209 559064734 /nfs/dbraw/zinc/06/47/34/559064734.db2.gz KPGHLPWBYANFRI-UHFFFAOYSA-N 1 0 410.449 2.351 50 0 HEAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1ncc(C)c(N(C)C)n1)C2 ZINC000095363856 559080023 /nfs/dbraw/zinc/08/00/23/559080023.db2.gz VTUCLNHNLPUFTI-KNKQGSTJSA-N 1 0 403.571 2.195 50 0 HEAARO Cc1noc(C)c1CN(C)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000095501744 559082421 /nfs/dbraw/zinc/08/24/21/559082421.db2.gz LTBGUUZKZUXHLH-HXUWFJFHSA-N 1 0 403.523 2.120 50 0 HEAARO O=C1NCCN1c1ccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000095503032 559082559 /nfs/dbraw/zinc/08/25/59/559082559.db2.gz WFDYFDGJLRVHJX-IBGZPJMESA-N 1 0 400.548 2.347 50 0 HEAARO COc1ccc(CN(C)Cc2cc(C)nn2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095521364 559085220 /nfs/dbraw/zinc/08/52/20/559085220.db2.gz OJOPENDSCYELMU-HXUWFJFHSA-N 1 0 402.539 2.205 50 0 HEAARO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)ccc1OC1CCN(C(C)=O)CC1 ZINC000095526078 559086105 /nfs/dbraw/zinc/08/61/05/559086105.db2.gz DYODZEROSIZUGG-MSOLQXFVSA-N 1 0 401.507 2.051 50 0 HEAARO CCc1nn(CC(=O)NCCC[NH+](CC)CC)c(=O)c2cc3sc(C)cc3n21 ZINC000005135822 559250791 /nfs/dbraw/zinc/25/07/91/559250791.db2.gz LHZZBZIUTHSZOH-UHFFFAOYSA-N 1 0 403.552 2.430 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345747 560570028 /nfs/dbraw/zinc/57/00/28/560570028.db2.gz RGQPXDXCEJXXTL-VWXURSGXSA-N 1 0 419.909 2.143 50 0 HEAARO COc1ccc(CC[NH2+]CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000005603853 560629755 /nfs/dbraw/zinc/62/97/55/560629755.db2.gz FLVQCWXNMLAIEI-UHFFFAOYSA-N 1 0 405.520 2.025 50 0 HEAARO CCS(=O)(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000575316814 560855401 /nfs/dbraw/zinc/85/54/01/560855401.db2.gz HCYJPUIYDAMSDZ-HXUWFJFHSA-N 1 0 407.580 2.172 50 0 HEAARO CN1OC[C@H](S(=O)(=O)N2CCN(Cc3ccccc3)CC2)[C@H]1c1ccccc1F ZINC000105024852 560860261 /nfs/dbraw/zinc/86/02/61/560860261.db2.gz GPLJCJGEHOWURL-LEWJYISDSA-N 1 0 419.522 2.260 50 0 HEAARO CC1CCN(c2ccc(=O)n(CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)CC1 ZINC000049545574 568451353 /nfs/dbraw/zinc/45/13/53/568451353.db2.gz ARYQNPCJXQTGGF-UHFFFAOYSA-N 1 0 423.561 2.260 50 0 HEAARO COc1ccc(C[NH+]2CCC(NC(=O)CN3Cc4ccccc4C3=O)CC2)cc1OC ZINC000604418525 568492981 /nfs/dbraw/zinc/49/29/81/568492981.db2.gz JWWYLMWXRBQNRD-UHFFFAOYSA-N 1 0 423.513 2.440 50 0 HEAARO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020531895 568627537 /nfs/dbraw/zinc/62/75/37/568627537.db2.gz PZGBJWWNDFLXTH-INIZCTEOSA-N 1 0 421.538 2.232 50 0 biogenic HEAARO CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000020531863 568627644 /nfs/dbraw/zinc/62/76/44/568627644.db2.gz HCESNTVZVVVCCP-IYBDPMFKSA-N 1 0 405.539 2.010 50 0 biogenic HEAARO CC[NH+]1CCN([C@@H](c2ccc(OC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000020604646 568636385 /nfs/dbraw/zinc/63/63/85/568636385.db2.gz DGKRQOLBLRMHDH-QFIPXVFZSA-N 1 0 415.534 2.244 50 0 HEAARO CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000095981153 568675423 /nfs/dbraw/zinc/67/54/23/568675423.db2.gz IFJGJLNEKODEKG-DLBZAZTESA-N 1 0 401.942 2.324 50 0 HEAARO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)C2=O ZINC000229892700 568715728 /nfs/dbraw/zinc/71/57/28/568715728.db2.gz BUBQRGONOBVTEE-SVQXRNPESA-N 1 0 404.555 2.066 50 0 HEAARO COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000021698331 568741221 /nfs/dbraw/zinc/74/12/21/568741221.db2.gz OFZRTDTUKKZZLR-HXUWFJFHSA-N 1 0 408.502 2.222 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCOCC4)cc3C2)CC1 ZINC000096398481 568747386 /nfs/dbraw/zinc/74/73/86/568747386.db2.gz WLERCFIAHBXALK-QGZVFWFLSA-N 1 0 419.591 2.126 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000025136096 568751394 /nfs/dbraw/zinc/75/13/94/568751394.db2.gz NIRJQJFPZOHVDT-UHFFFAOYSA-N 1 0 407.580 2.257 50 0 HEAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000230130998 568850499 /nfs/dbraw/zinc/85/04/99/568850499.db2.gz SRIQUYHEPJEBJS-MSOLQXFVSA-N 1 0 412.534 2.114 50 0 HEAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000299756209 568872594 /nfs/dbraw/zinc/87/25/94/568872594.db2.gz DQSLQQIRYWJYJC-JOCHJYFZSA-N 1 0 419.541 2.382 50 0 HEAARO Cc1c(C[NH+]2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)cnn1C ZINC000299759021 568873088 /nfs/dbraw/zinc/87/30/88/568873088.db2.gz GQVHWVQAGOYXGR-NRFANRHFSA-N 1 0 416.497 2.138 50 0 HEAARO CC(C)c1cnc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nc1 ZINC000299766585 568873799 /nfs/dbraw/zinc/87/37/99/568873799.db2.gz KDTSQCIPYRKKIQ-HXUWFJFHSA-N 1 0 401.555 2.361 50 0 HEAARO Cc1cccc(NC(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)c1 ZINC000299792500 568875977 /nfs/dbraw/zinc/87/59/77/568875977.db2.gz FWULQMGDYYYCOG-OAQYLSRUSA-N 1 0 414.550 2.466 50 0 HEAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[NH+](C)C)[C@@H]1c1ccc(F)cc1 ZINC000003657265 568923086 /nfs/dbraw/zinc/92/30/86/568923086.db2.gz AQSGOOFHJWXOPI-SFTDATJTSA-N 1 0 413.493 2.431 50 0 HEAARO O=C(CNC(=O)c1cccc(Br)c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338723 568924381 /nfs/dbraw/zinc/92/43/81/568924381.db2.gz WOKMVUUHNMNTJH-UHFFFAOYSA-N 1 0 416.319 2.353 50 0 HEAARO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007987302 568964996 /nfs/dbraw/zinc/96/49/96/568964996.db2.gz JQAPMVSNCFBCJG-GOSISDBHSA-N 1 0 421.950 2.351 50 0 HEAARO COc1ccccc1[C@@H](CNC(=O)Cn1cnc2ccccc2c1=O)[NH+]1CCCC1 ZINC000008272217 568986345 /nfs/dbraw/zinc/98/63/45/568986345.db2.gz HLMXMAJSIWXDOP-HXUWFJFHSA-N 1 0 406.486 2.358 50 0 HEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1ncn2nc(-c3ccccc3)cc2c1=O ZINC000015772612 568998617 /nfs/dbraw/zinc/99/86/17/568998617.db2.gz JZNLWFCPNRKJKM-IBGZPJMESA-N 1 0 422.533 2.329 50 0 HEAARO Cc1ccc2nc(C(=O)N[C@@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)c(F)n2c1 ZINC000670471172 569001476 /nfs/dbraw/zinc/00/14/76/569001476.db2.gz AMPWCGKOCQAXAZ-SSSUMRQXSA-N 1 0 419.504 2.079 50 0 HEAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nc4ccccc4n(CC)c3=O)C2)CC1 ZINC000085628137 569005010 /nfs/dbraw/zinc/00/50/10/569005010.db2.gz HBASXIUPKGKGGN-GOSISDBHSA-N 1 0 411.550 2.187 50 0 HEAARO NC(=O)Cn1cc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c2ccccc21 ZINC000104420468 569008635 /nfs/dbraw/zinc/00/86/35/569008635.db2.gz GLPBZQAHBJGMPA-OAQYLSRUSA-N 1 0 406.530 2.195 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCC2)cc1C ZINC000015862661 569015940 /nfs/dbraw/zinc/01/59/40/569015940.db2.gz AVCMPRYRJZZCIG-UHFFFAOYSA-N 1 0 407.580 2.367 50 0 HEAARO O[C@H](C[NH2+]C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000005844788 569026569 /nfs/dbraw/zinc/02/65/69/569026569.db2.gz KOHIRBRYDXPAMZ-VVIORFSUSA-N 1 0 405.441 2.364 50 0 fda HEAARO COc1ccc(CNC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035349329 569033468 /nfs/dbraw/zinc/03/34/68/569033468.db2.gz PGSHOSRLMHINHS-QFIPXVFZSA-N 1 0 407.514 2.265 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@@H]2C1=O ZINC000035459480 569038081 /nfs/dbraw/zinc/03/80/81/569038081.db2.gz YEKPUXOUKCCMDB-OAQYLSRUSA-N 1 0 420.513 2.129 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccccc1CN1c2ccccc2C(=O)N2CCC[C@H]2C1=O ZINC000035459486 569038125 /nfs/dbraw/zinc/03/81/25/569038125.db2.gz YEKPUXOUKCCMDB-NRFANRHFSA-N 1 0 420.513 2.129 50 0 HEAARO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C12CCCCC2 ZINC000225421029 569039815 /nfs/dbraw/zinc/03/98/15/569039815.db2.gz UHSAGZRJQGGJMZ-CEXWTWQISA-N 1 0 401.555 2.231 50 0 HEAARO C[NH+]1CCN(c2ccc(CNC(=O)NCc3ccc(OC(F)F)cc3)cn2)CC1 ZINC000012984862 569047716 /nfs/dbraw/zinc/04/77/16/569047716.db2.gz RJUKGMBGMREQAL-UHFFFAOYSA-N 1 0 405.449 2.434 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000524729881 569051653 /nfs/dbraw/zinc/05/16/53/569051653.db2.gz MZOYLBUDHGTLRV-PZJWPPBQSA-N 1 0 412.538 2.324 50 0 HEAARO COc1cccc(C[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n2nnnc2C)c1 ZINC000241644519 569054821 /nfs/dbraw/zinc/05/48/21/569054821.db2.gz PRLNSIINHHTVHG-UZLBHIALSA-N 1 0 400.527 2.155 50 0 HEAARO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000089512563 569062106 /nfs/dbraw/zinc/06/21/06/569062106.db2.gz SHMHSAIGIFTFGN-VQTJNVASSA-N 1 0 404.580 2.122 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@H]1c1ccccc1Cl ZINC000035991506 569074646 /nfs/dbraw/zinc/07/46/46/569074646.db2.gz NKNXHACNPBJEDA-IBGZPJMESA-N 1 0 420.941 2.491 50 0 HEAARO COc1cccc(C[N@H+](CCN2CCOCC2)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103588 569092175 /nfs/dbraw/zinc/09/21/75/569092175.db2.gz IQVYIHSTGMBYET-IBGZPJMESA-N 1 0 410.555 2.014 50 0 HEAARO COc1cc(NC(=O)N2CCC(CC(=O)NCC[NH+](C)C)CC2)cc(OC)c1OC ZINC000064846726 569108178 /nfs/dbraw/zinc/10/81/78/569108178.db2.gz WOLSSGBFLWXOGU-UHFFFAOYSA-N 1 0 422.526 2.024 50 0 HEAARO Cc1cc(C)cc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NC2CCCC2)c1 ZINC000065074892 569169185 /nfs/dbraw/zinc/16/91/85/569169185.db2.gz KTRKMYJNNRDHGT-UHFFFAOYSA-N 1 0 404.580 2.361 50 0 biogenic HEAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCC[N@H+]1CCCC[C@@H]1C)nc2C ZINC000006943723 569186927 /nfs/dbraw/zinc/18/69/27/569186927.db2.gz YTRRBOPLEJVXIL-INIZCTEOSA-N 1 0 422.533 2.190 50 0 HEAARO O=C(CC[NH+]1CCCCC1)Nc1cnn(-c2ncc(N3CCSCC3)cn2)c1 ZINC000065231844 569201175 /nfs/dbraw/zinc/20/11/75/569201175.db2.gz UTBXZRXJCKIHHF-UHFFFAOYSA-N 1 0 401.540 2.030 50 0 HEAARO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000065244041 569204636 /nfs/dbraw/zinc/20/46/36/569204636.db2.gz XCVJZHWMPQMWIY-IEBWSBKVSA-N 1 0 416.566 2.273 50 0 HEAARO COc1c2c(c(CNC(=O)c3ccc(NC(C)=O)cc3)c3c1C[N@H+](C)CC3)OCO2 ZINC000524730574 569212015 /nfs/dbraw/zinc/21/20/15/569212015.db2.gz NSFBRRDFEMXOIR-UHFFFAOYSA-N 1 0 411.458 2.300 50 0 HEAARO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000065475256 569231360 /nfs/dbraw/zinc/23/13/60/569231360.db2.gz KNNBOSIAGUCNBE-CABCVRRESA-N 1 0 406.324 2.499 50 0 HEAARO O=C(CCNC(=O)c1cc(F)ccc1Br)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065587309 569236389 /nfs/dbraw/zinc/23/63/89/569236389.db2.gz FFPSISADFSBNFH-AWEZNQCLSA-N 1 0 412.303 2.405 50 0 HEAARO Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000170598327 569242383 /nfs/dbraw/zinc/24/23/83/569242383.db2.gz CQRDQDSHTPCOIZ-GOSISDBHSA-N 1 0 423.583 2.160 50 0 HEAARO CN(C(=O)OC(C)(C)C)[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000170617919 569247816 /nfs/dbraw/zinc/24/78/16/569247816.db2.gz QOXFLFADOCEOPD-SFHVURJKSA-N 1 0 405.543 2.319 50 0 HEAARO CC[NH+](CC)CCN(C(=O)c1cc2ccccc2c(OC)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000089968976 569270316 /nfs/dbraw/zinc/27/03/16/569270316.db2.gz QFXSPNAZBZUJJJ-QGZVFWFLSA-N 1 0 419.547 2.215 50 0 HEAARO O=C1N[C@@H](Cc2ccc(Cl)cc2)C(=O)N2C[C@@H]([NH2+]Cc3ccccc3F)C[C@@H]12 ZINC000014732504 569271379 /nfs/dbraw/zinc/27/13/79/569271379.db2.gz CPYLCVBTMDJIOD-WDSOQIARSA-N 1 0 401.869 2.279 50 0 HEAARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000252507148 569291294 /nfs/dbraw/zinc/29/12/94/569291294.db2.gz ZQNMPBDFERNXIM-NWDGAFQWSA-N 1 0 402.358 2.381 50 0 HEAARO Cn1nccc1C(=O)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581819875 569320860 /nfs/dbraw/zinc/32/08/60/569320860.db2.gz PJFMSDRNDVIJQQ-OAQYLSRUSA-N 1 0 423.561 2.396 50 0 HEAARO Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(C(C)C)CC1)CCO2 ZINC000581820192 569321199 /nfs/dbraw/zinc/32/11/99/569321199.db2.gz XJFZMKIPQHVQNT-IBGZPJMESA-N 1 0 404.555 2.471 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000253384882 569364848 /nfs/dbraw/zinc/36/48/48/569364848.db2.gz QMLNGBPKBHKELV-FLYNJVNLSA-N 1 0 415.877 2.494 50 0 HEAARO C[NH+](C)[C@@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000027678420 569389616 /nfs/dbraw/zinc/38/96/16/569389616.db2.gz CXHGVTILQASUAT-HNNXBMFYSA-N 1 0 415.968 2.489 50 0 HEAARO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(OCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972805 569422544 /nfs/dbraw/zinc/42/25/44/569422544.db2.gz FNXBHKZKWSKYRN-MSOLQXFVSA-N 1 0 407.530 2.205 50 0 HEAARO COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)cc1 ZINC000079191845 569429321 /nfs/dbraw/zinc/42/93/21/569429321.db2.gz XXZWUSADIJZLJU-GHTZIAJQSA-N 1 0 410.518 2.300 50 0 biogenic HEAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008734780 571109558 /nfs/dbraw/zinc/10/95/58/571109558.db2.gz CXEUJWRPZPBLNN-KRWDZBQOSA-N 1 0 411.502 2.407 50 0 HEAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000040089842 571159689 /nfs/dbraw/zinc/15/96/89/571159689.db2.gz WLGDKRHRLJXWAZ-UHFFFAOYSA-N 1 0 415.559 2.158 50 0 HEAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)N3CCC(C)CC3)CC2)c1 ZINC000040091338 571161269 /nfs/dbraw/zinc/16/12/69/571161269.db2.gz DJEUWLWBSAECAQ-UHFFFAOYSA-N 1 0 408.612 2.464 50 0 HEAARO CN(CCN(C)S(=O)(=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000040151497 571199360 /nfs/dbraw/zinc/19/93/60/571199360.db2.gz LRFQXGRGIOXJNX-UHFFFAOYSA-N 1 0 404.374 2.096 50 0 HEAARO CC(C)(C)OC[C@H](O)C[NH+]1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 ZINC000245108442 571214526 /nfs/dbraw/zinc/21/45/26/571214526.db2.gz SXLOPMFUMIYYIU-JOCHJYFZSA-N 1 0 413.562 2.363 50 0 HEAARO COc1ccc(OC[C@H](O)CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000245229365 571218085 /nfs/dbraw/zinc/21/80/85/571218085.db2.gz VWALKEUMXHXLIM-JKSUJKDBSA-N 1 0 411.545 2.186 50 0 HEAARO C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O ZINC000009516906 571265132 /nfs/dbraw/zinc/26/51/32/571265132.db2.gz SWQIJHWYGPRNJP-UTKZUKDTSA-N 1 0 418.925 2.314 50 0 HEAARO C[C@]1(C2CC2)NC(=O)N(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1=O ZINC000009516907 571265144 /nfs/dbraw/zinc/26/51/44/571265144.db2.gz SWQIJHWYGPRNJP-DYESRHJHSA-N 1 0 418.925 2.314 50 0 HEAARO Cc1cn2c(nc3c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n3C)n1CCC[NH+](C)C ZINC000010233393 571297601 /nfs/dbraw/zinc/29/76/01/571297601.db2.gz XINHIFAYBVCIFZ-UHFFFAOYSA-N 1 0 422.533 2.075 50 0 HEAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CCCN(c2cnccn2)C1 ZINC000040071335 571307526 /nfs/dbraw/zinc/30/75/26/571307526.db2.gz LKGJBBNLUPCPFN-SFHVURJKSA-N 1 0 421.549 3.023 50 0 HEAARO C[NH+](C)CCNC(=O)c1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684303 571316354 /nfs/dbraw/zinc/31/63/54/571316354.db2.gz ORMGFGOXYXUBFX-UHFFFAOYSA-N 1 0 424.545 2.025 50 0 HEAARO O=C(CC[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC000581774439 1078748403 /nfs/dbraw/zinc/74/84/03/1078748403.db2.gz VBDLABJXXQZLRE-LJQANCHMSA-N 1 0 407.580 2.470 50 0 HEAARO C[N@@H+]1CC2(C[C@@H]1CN1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581802380 1078771652 /nfs/dbraw/zinc/77/16/52/1078771652.db2.gz HCHDQRXXVPCXSE-OAQYLSRUSA-N 1 0 408.546 2.494 50 0 HEAARO CC(C)[NH+]1CCN(C(=O)c2ccc(CC3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000581805200 1078781515 /nfs/dbraw/zinc/78/15/15/1078781515.db2.gz DVKQHZDLLJUPIP-UHFFFAOYSA-N 1 0 407.580 2.067 50 0 HEAARO CCOc1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000012069418 132353294 /nfs/dbraw/zinc/35/32/94/132353294.db2.gz CATVNJWQRRUDOJ-UHFFFAOYSA-N 1 0 410.518 2.352 50 0 HEAARO Cc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000012510869 132361118 /nfs/dbraw/zinc/36/11/18/132361118.db2.gz MGJRJUUXGKXCPB-CQSZACIVSA-N 1 0 403.552 2.439 50 0 HEAARO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012865378 132368072 /nfs/dbraw/zinc/36/80/72/132368072.db2.gz HZSIDNVNNLKDLL-UHFFFAOYSA-N 1 0 421.423 2.350 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000020566500 520563171 /nfs/dbraw/zinc/56/31/71/520563171.db2.gz ILADSGPWFWVNAD-CMCWBKRRSA-N 1 0 419.481 2.155 50 0 HEAARO CC[NH+](CC)CCN(C)Cc1cnc(S(=O)(=O)CCOC)n1Cc1ccccc1 ZINC000020601369 520642697 /nfs/dbraw/zinc/64/26/97/520642697.db2.gz BLEJFIINNAYPDM-UHFFFAOYSA-N 1 0 422.595 2.125 50 0 HEAARO C[NH+](C)CCNC(=O)c1nc(-c2ccc(COc3ccc4c(c3)OCO4)cc2)no1 ZINC000031813019 521787104 /nfs/dbraw/zinc/78/71/04/521787104.db2.gz KHSLULBPLHZNPP-UHFFFAOYSA-N 1 0 410.430 2.336 50 0 HEAARO COc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC[N@H+](C)CC3)cs2)c1 ZINC000040356101 522859532 /nfs/dbraw/zinc/85/95/32/522859532.db2.gz BWTXLFACEQTTSF-UHFFFAOYSA-N 1 0 404.492 2.190 50 0 HEAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)c(C)c1 ZINC000032900880 525429816 /nfs/dbraw/zinc/42/98/16/525429816.db2.gz FBZZWNOSHPCWKG-FQEVSTJZSA-N 1 0 418.559 2.486 50 0 HEAARO O=C(c1cccs1)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019890118 526836191 /nfs/dbraw/zinc/83/61/91/526836191.db2.gz PKDPXURIJYJLDS-MRXNPFEDSA-N 1 0 401.463 2.414 50 0 HEAARO COc1ccc(OC)c(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000000787390 557080616 /nfs/dbraw/zinc/08/06/16/557080616.db2.gz CZJQANADZOWCDH-UHFFFAOYSA-N 1 0 406.552 2.206 50 0 HEAARO COc1ccc(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)C(C)C)CC3)n2)cc1 ZINC000034678405 557366665 /nfs/dbraw/zinc/36/66/65/557366665.db2.gz LFXOKBBDXSMHGZ-LJQANCHMSA-N 1 0 402.495 2.070 50 0 HEAARO COc1ccccc1[C@H](C)[NH2+]CCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000005672200 557667899 /nfs/dbraw/zinc/66/78/99/557667899.db2.gz YROJCMMAKHQITO-LBPRGKRZSA-N 1 0 411.911 2.077 50 0 HEAARO COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c1=O ZINC000022697649 557784325 /nfs/dbraw/zinc/78/43/25/557784325.db2.gz MUIQKSIKZJBNJX-HXUWFJFHSA-N 1 0 405.926 2.499 50 0 HEAARO Cc1ccc([C@H](CNC(=O)C(=O)NCCCc2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022796529 557823343 /nfs/dbraw/zinc/82/33/43/557823343.db2.gz WJFUYYQJYNXDMZ-QHCPKHFHSA-N 1 0 422.573 2.149 50 0 HEAARO COc1ccc(COC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1OC ZINC000019720574 558259045 /nfs/dbraw/zinc/25/90/45/558259045.db2.gz CNLLRLCGVLQCBP-OAQYLSRUSA-N 1 0 400.519 2.399 50 0 HEAARO OCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)o1 ZINC000019741779 558262218 /nfs/dbraw/zinc/26/22/18/558262218.db2.gz BPDLYGNHKVPCHV-LJQANCHMSA-N 1 0 413.518 2.283 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)o1 ZINC000019742742 558262992 /nfs/dbraw/zinc/26/29/92/558262992.db2.gz NNGRDGCQAXTWPN-UHFFFAOYSA-N 1 0 411.481 2.490 50 0 HEAARO C[NH+](C)CCNC(=O)c1ccc(OC2CCN(C(=O)[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000011817337 558280712 /nfs/dbraw/zinc/28/07/12/558280712.db2.gz OZHMKVXKKBCATO-MRXNPFEDSA-N 1 0 423.941 2.038 50 0 HEAARO CCC1(CC)C[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000011818571 558281922 /nfs/dbraw/zinc/28/19/22/558281922.db2.gz YFPHMGCIJXOUGZ-HXUWFJFHSA-N 1 0 405.583 2.375 50 0 HEAARO COC[C@@H]1CCCCN1Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000019794417 558283745 /nfs/dbraw/zinc/28/37/45/558283745.db2.gz LWQSUBNLQGVVIC-INIZCTEOSA-N 1 0 405.568 2.174 50 0 HEAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000019831128 558291472 /nfs/dbraw/zinc/29/14/72/558291472.db2.gz CXIARQGLULCCFF-UHFFFAOYSA-N 1 0 400.910 2.213 50 0 HEAARO CC(C)Oc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000019837293 558293137 /nfs/dbraw/zinc/29/31/37/558293137.db2.gz CJQDGXLTVQXQHF-UHFFFAOYSA-N 1 0 420.517 2.449 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)CCN1CCCO1 ZINC000011879677 558294124 /nfs/dbraw/zinc/29/41/24/558294124.db2.gz ZKHUSRVLOXXWKQ-UHFFFAOYSA-N 1 0 419.566 2.410 50 0 HEAARO COc1cc(C[NH2+]Cc2cccc(C)c2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000011954543 558303258 /nfs/dbraw/zinc/30/32/58/558303258.db2.gz HMDPGXOMKKIJLR-OAQYLSRUSA-N 1 0 400.519 2.365 50 0 HEAARO Cc1cccn2c(C[NH2+]CCN3CCCC[C@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939898 558313679 /nfs/dbraw/zinc/31/36/79/558313679.db2.gz YSBABSQDEBYHIP-IBGZPJMESA-N 1 0 413.566 2.205 50 0 HEAARO Cc1cccn2c(C[NH2+]CCN3CCCC[C@@H]3CO)c(C(=O)N3CCCCC3)nc12 ZINC000019939897 558313729 /nfs/dbraw/zinc/31/37/29/558313729.db2.gz YSBABSQDEBYHIP-LJQANCHMSA-N 1 0 413.566 2.205 50 0 HEAARO COCCCNc1nc2nonc2nc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000012052291 558314638 /nfs/dbraw/zinc/31/46/38/558314638.db2.gz QKWZIGLIJBRILD-UHFFFAOYSA-N 1 0 415.473 2.313 50 0 HEAARO CC(=O)C[C@@H](C)C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012073956 558318618 /nfs/dbraw/zinc/31/86/18/558318618.db2.gz VMANMCXZUXGCMR-QGZVFWFLSA-N 1 0 417.550 2.305 50 0 HEAARO COc1cccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c1OC ZINC000012135597 558333796 /nfs/dbraw/zinc/33/37/96/558333796.db2.gz ZVUOMNWPCBXZOY-HNNXBMFYSA-N 1 0 401.511 2.187 50 0 HEAARO O=C(Cc1cccs1)N1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000012198961 558350915 /nfs/dbraw/zinc/35/09/15/558350915.db2.gz FYJFATYSVQQOQS-IBGZPJMESA-N 1 0 419.591 2.289 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(OC)c1 ZINC000020637143 558396444 /nfs/dbraw/zinc/39/64/44/558396444.db2.gz GVHHKAKNXSXCRW-UXHICEINSA-N 1 0 407.470 2.460 50 0 HEAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)CN3CCCCC3=O)CC2)cc1 ZINC000012431117 558405738 /nfs/dbraw/zinc/40/57/38/558405738.db2.gz FPTIFPRQKBVXGZ-UHFFFAOYSA-N 1 0 401.551 2.421 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4ccccc4)n3CC2)c(OC)c1 ZINC000020776143 558412164 /nfs/dbraw/zinc/41/21/64/558412164.db2.gz KLIWMRHIEFMCOK-UHFFFAOYSA-N 1 0 421.501 2.284 50 0 HEAARO COc1ccc(C(=O)N2CCCN(C=O)CC2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012465032 558420234 /nfs/dbraw/zinc/42/02/34/558420234.db2.gz LTAGJQASIGHMGV-UHFFFAOYSA-N 1 0 403.523 2.251 50 0 HEAARO CC(C)CS(=O)(=O)c1ncc(CN2CC[C@@H]([NH+](C)C)C2)n1Cc1ccccc1 ZINC000020910389 558422162 /nfs/dbraw/zinc/42/21/62/558422162.db2.gz OPTKRAPEDMJUTL-LJQANCHMSA-N 1 0 404.580 2.497 50 0 HEAARO CC(=O)CCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012590959 558435756 /nfs/dbraw/zinc/43/57/56/558435756.db2.gz NLKJFKUCNKBTRG-UHFFFAOYSA-N 1 0 403.523 2.059 50 0 HEAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCC(C)(C)CO)c3)CC2)CC1 ZINC000012706689 558450218 /nfs/dbraw/zinc/45/02/18/558450218.db2.gz HCXCZGHAOCBMEB-UHFFFAOYSA-N 1 0 403.567 2.372 50 0 HEAARO COc1ccc(F)c(CN2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)c1 ZINC000012762572 558461466 /nfs/dbraw/zinc/46/14/66/558461466.db2.gz HNMWQAISDKTDSL-UHFFFAOYSA-N 1 0 419.541 2.370 50 0 HEAARO COC(=O)C1C(C[NH+]2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566233 558541105 /nfs/dbraw/zinc/54/11/05/558541105.db2.gz HPQPUHWWPCAXES-ARGWCVDVSA-N 1 0 417.506 2.463 50 0 HEAARO Cc1cccn2c(C[NH2+]CCCOc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000013596559 558547368 /nfs/dbraw/zinc/54/73/68/558547368.db2.gz KJULXTJWVNADHS-UHFFFAOYSA-N 1 0 409.490 2.069 50 0 HEAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(CN4C(=O)c5ccccc5C4=O)nc3c12 ZINC000013681955 558567072 /nfs/dbraw/zinc/56/70/72/558567072.db2.gz TWAHDVYVKVDGRB-UHFFFAOYSA-N 1 0 417.473 2.054 50 0 HEAARO C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CN2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000023805052 558576409 /nfs/dbraw/zinc/57/64/09/558576409.db2.gz GYFWQLPMBSZKFS-QHCPKHFHSA-N 1 0 405.502 2.117 50 0 HEAARO COc1ccc([C@@H](CNC(=O)Cn2nc(-c3ccccc3)oc2=O)[NH+]2CCCC2)cc1 ZINC000014114834 558621546 /nfs/dbraw/zinc/62/15/46/558621546.db2.gz LGAMFLZELIKOLJ-HXUWFJFHSA-N 1 0 422.485 2.465 50 0 HEAARO CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1=O ZINC000014185418 558630478 /nfs/dbraw/zinc/63/04/78/558630478.db2.gz XTZDNEGISLITPW-WMZHIEFXSA-N 1 0 408.502 2.263 50 0 HEAARO Cc1cccc2c(=O)n(CCC(=O)NCC3([NH+]4CCOCC4)CCCCC3)cnc12 ZINC000014186802 558631186 /nfs/dbraw/zinc/63/11/86/558631186.db2.gz QULFJFMKURXWPM-UHFFFAOYSA-N 1 0 412.534 2.246 50 0 HEAARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)cn2)CC1 ZINC000025139757 558632550 /nfs/dbraw/zinc/63/25/50/558632550.db2.gz QFPONRWDJLINEX-UHFFFAOYSA-N 1 0 409.412 2.100 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccsc1 ZINC000025330769 558638743 /nfs/dbraw/zinc/63/87/43/558638743.db2.gz PFXWOFPTQXRQCR-GOSISDBHSA-N 1 0 407.561 2.493 50 0 HEAARO O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014242627 558645100 /nfs/dbraw/zinc/64/51/00/558645100.db2.gz NTNGZCSSNZKMEG-QGZVFWFLSA-N 1 0 402.524 2.179 50 0 HEAARO CC(C)C[C@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3cnn(-c4cccc(Cl)c4)c3)CN2C1=O ZINC000014538577 558658928 /nfs/dbraw/zinc/65/89/28/558658928.db2.gz MTDGACYYLOMJKI-UHOSZYNNSA-N 1 0 415.925 2.129 50 0 HEAARO NC(=O)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014540274 558659637 /nfs/dbraw/zinc/65/96/37/558659637.db2.gz UVAZRAWUNFJMQD-UHFFFAOYSA-N 1 0 420.513 2.013 50 0 HEAARO C[C@@H](CO)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014732505 558666002 /nfs/dbraw/zinc/66/60/02/558666002.db2.gz CXQSCQXOSITFFV-IBGZPJMESA-N 1 0 422.529 2.304 50 0 HEAARO CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3C)cc1 ZINC000014754446 558671516 /nfs/dbraw/zinc/67/15/16/558671516.db2.gz SHVPSHPEHZDMJK-UHFFFAOYSA-N 1 0 421.501 2.469 50 0 HEAARO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000027970996 558685559 /nfs/dbraw/zinc/68/55/59/558685559.db2.gz YPAVXHHYJSQWJI-UHFFFAOYSA-N 1 0 407.458 2.084 50 0 HEAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)c1 ZINC000014986937 558693093 /nfs/dbraw/zinc/69/30/93/558693093.db2.gz JDWSEQHHXGRCKL-UHFFFAOYSA-N 1 0 411.550 2.039 50 0 HEAARO CC[NH+](CC)CCO[C@H]1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000072309460 558773546 /nfs/dbraw/zinc/77/35/46/558773546.db2.gz LBEBQRWIKRFPFQ-KRWDZBQOSA-N 1 0 424.973 2.170 50 0 HEAARO CC(C)OCC[NH+]1CCC(NC(=O)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000072310431 558777325 /nfs/dbraw/zinc/77/73/25/558777325.db2.gz LKMRDHHNQJBPAY-UHFFFAOYSA-N 1 0 407.580 2.419 50 0 HEAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccccc4OC)n3)c(C)n2)CC1 ZINC000036235729 558798475 /nfs/dbraw/zinc/79/84/75/558798475.db2.gz YPTYVCXWEJZRLA-UHFFFAOYSA-N 1 0 421.505 2.429 50 0 HEAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c2cccs2)CC1 ZINC000032983109 558804081 /nfs/dbraw/zinc/80/40/81/558804081.db2.gz SITIXVMZQCTNLC-KRWDZBQOSA-N 1 0 412.515 2.481 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2nc3ccccn3c2-c2ccc(OC)cc2)CC1 ZINC000097939325 558825652 /nfs/dbraw/zinc/82/56/52/558825652.db2.gz WZFVYLZYNOKXCS-UHFFFAOYSA-N 1 0 407.518 2.377 50 0 HEAARO COc1ccc(N2C(=O)C[C@@H]([NH2+]CCNC(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000018116141 558831464 /nfs/dbraw/zinc/83/14/64/558831464.db2.gz CWRGXIWWEOXZIV-QGZVFWFLSA-N 1 0 401.850 2.000 50 0 HEAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072314228 558842150 /nfs/dbraw/zinc/84/21/50/558842150.db2.gz PVVBYURAADNYBB-APWZRJJASA-N 1 0 407.942 2.275 50 0 HEAARO COc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2cccc(C)c2)cc1OC ZINC000033032796 558857040 /nfs/dbraw/zinc/85/70/40/558857040.db2.gz LTMXVZLECVICFW-UHFFFAOYSA-N 1 0 411.502 2.086 50 0 HEAARO Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)NC(C)C)ccc1N1CC[NH2+]CC1 ZINC000033033792 558857799 /nfs/dbraw/zinc/85/77/99/558857799.db2.gz PFMILKXVVGOJML-UHFFFAOYSA-N 1 0 416.547 2.344 50 0 HEAARO Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)cc1 ZINC000019334373 558869522 /nfs/dbraw/zinc/86/95/22/558869522.db2.gz SJJCYMHQUUGOTI-DNQXCXABSA-N 1 0 407.558 2.431 50 0 HEAARO CC(C)[NH+]1CCC(N2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)CC1 ZINC000019336338 558870162 /nfs/dbraw/zinc/87/01/62/558870162.db2.gz GGUAOPDRIOQYGL-NRFANRHFSA-N 1 0 403.567 2.199 50 0 HEAARO COc1ccc(C[C@@H]([NH2+]C[C@H](O)CN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000057993529 558893194 /nfs/dbraw/zinc/89/31/94/558893194.db2.gz YNISYUGGABUNQW-NZQKXSOJSA-N 1 0 400.519 2.270 50 0 HEAARO CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cnn(C)c2C)CC1 ZINC000058166239 558906970 /nfs/dbraw/zinc/90/69/70/558906970.db2.gz GNDIWIHDBCRDFG-QMMLZNLJSA-N 1 0 415.582 2.445 50 0 HEAARO CCN1CCn2c(C)nc(C(=O)N3CCC[N@H+](CC4CC4)[C@@H](C(C)C)C3)c2C1=O ZINC000071753791 558909251 /nfs/dbraw/zinc/90/92/51/558909251.db2.gz UXYLNWVSCADWKP-GOSISDBHSA-N 1 0 401.555 2.250 50 0 HEAARO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1 ZINC000071755429 558909526 /nfs/dbraw/zinc/90/95/26/558909526.db2.gz VSTWAWABDFAOFW-LJQANCHMSA-N 1 0 404.599 2.044 50 0 HEAARO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000071754814 558909586 /nfs/dbraw/zinc/90/95/86/558909586.db2.gz BEZWJIHSXQTOAK-OAHLLOKOSA-N 1 0 417.959 2.104 50 0 HEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccc4nccnc43)CC2)C1 ZINC000071756910 558909865 /nfs/dbraw/zinc/90/98/65/558909865.db2.gz ZOPLWKFBAJTIAY-MRXNPFEDSA-N 1 0 407.518 2.225 50 0 HEAARO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCCC[C@@H]3C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000058202182 558911512 /nfs/dbraw/zinc/91/15/12/558911512.db2.gz RXDCWVDKTHFECC-ZHALLVOQSA-N 1 0 423.579 2.041 50 0 HEAARO COc1ccc(C[NH2+]CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cc1OC ZINC000059722076 558938459 /nfs/dbraw/zinc/93/84/59/558938459.db2.gz NGCUHAVJKMCXPO-UHFFFAOYSA-N 1 0 410.478 2.333 50 0 HEAARO O=C([C@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374069 558942072 /nfs/dbraw/zinc/94/20/72/558942072.db2.gz KOWYPXFZLHHXAK-LSDHHAIUSA-N 1 0 406.324 2.499 50 0 HEAARO Cc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064799854 558965794 /nfs/dbraw/zinc/96/57/94/558965794.db2.gz SEENSALKHVOCJB-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1N(C)S(C)(=O)=O ZINC000065363502 558974572 /nfs/dbraw/zinc/97/45/72/558974572.db2.gz HWQMTMRSAQWDNX-UHFFFAOYSA-N 1 0 416.547 2.395 50 0 HEAARO C[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000065364640 558975730 /nfs/dbraw/zinc/97/57/30/558975730.db2.gz OEQSSPHEEJRLOQ-GFCCVEGCSA-N 1 0 407.458 2.070 50 0 HEAARO C[NH+]1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 ZINC000072436833 558980077 /nfs/dbraw/zinc/98/00/77/558980077.db2.gz ZEEYUOLGDVEKDO-INIZCTEOSA-N 1 0 413.971 2.092 50 0 HEAARO Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(F)ccc2F)[nH+]1 ZINC000067601878 558987467 /nfs/dbraw/zinc/98/74/67/558987467.db2.gz MOLFMZWKTSKBTH-UHFFFAOYSA-N 1 0 411.478 2.444 50 0 HEAARO COCC[N@H+](C)CCN1CC2(CCN(C(=O)c3coc4ccccc34)CC2)OC1=O ZINC000077406312 559003837 /nfs/dbraw/zinc/00/38/37/559003837.db2.gz SFIOHUYPCHTDDN-UHFFFAOYSA-N 1 0 415.490 2.438 50 0 HEAARO CCc1nnc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)o1 ZINC000082091474 559037035 /nfs/dbraw/zinc/03/70/35/559037035.db2.gz SIBDCIIBHOFMAF-QGZVFWFLSA-N 1 0 412.538 2.020 50 0 HEAARO CN(CCn1cccn1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082099645 559038077 /nfs/dbraw/zinc/03/80/77/559038077.db2.gz JTNIPBAWRZCNFO-NRFANRHFSA-N 1 0 410.566 2.113 50 0 HEAARO CSCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082120949 559039567 /nfs/dbraw/zinc/03/95/67/559039567.db2.gz BKSFYWOMIKMATO-SFHVURJKSA-N 1 0 404.580 2.154 50 0 HEAARO CCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)ncn1 ZINC000082126287 559039910 /nfs/dbraw/zinc/03/99/10/559039910.db2.gz RUMBRFCLAJMJIT-GOSISDBHSA-N 1 0 408.550 2.431 50 0 HEAARO CCN(CC)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082138298 559040427 /nfs/dbraw/zinc/04/04/27/559040427.db2.gz YSGFDSORLVMIPN-IBGZPJMESA-N 1 0 401.555 2.336 50 0 HEAARO COc1cccc(-c2ncc(C[N@@H+]3C[C@H](CO)[C@H](CN4CCOCC4)C3)s2)c1 ZINC000091780337 559073564 /nfs/dbraw/zinc/07/35/64/559073564.db2.gz FPMLILYIMUQQTN-QZTJIDSGSA-N 1 0 403.548 2.191 50 0 HEAARO COc1ccc(CN(C)Cc2cc(C)nn2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095521365 559085261 /nfs/dbraw/zinc/08/52/61/559085261.db2.gz OJOPENDSCYELMU-FQEVSTJZSA-N 1 0 402.539 2.205 50 0 HEAARO Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000011898733 559265497 /nfs/dbraw/zinc/26/54/97/559265497.db2.gz QHZFJTFJAWGROV-GOSISDBHSA-N 1 0 412.490 2.426 50 0 HEAARO COc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@@H+]1[C@]21c2cc(C)ccc2NC1=O ZINC000061997613 560565060 /nfs/dbraw/zinc/56/50/60/560565060.db2.gz XHJOIIABHPKMBG-QLBZUPSYSA-N 1 0 417.465 2.435 50 0 biogenic HEAARO COc1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000005483829 560596681 /nfs/dbraw/zinc/59/66/81/560596681.db2.gz HJLVOEMTJPHODK-ISPUEKSMSA-N 1 0 409.486 2.457 50 0 HEAARO Cc1cn2c(nc3c2c(=O)n(CC[NH+]2CCCCC2)c(=O)n3C)n1-c1ccc(F)cc1 ZINC000005695816 560786359 /nfs/dbraw/zinc/78/63/59/560786359.db2.gz MLFLCAGKAZJFMW-UHFFFAOYSA-N 1 0 424.480 2.072 50 0 HEAARO COc1ccc(CNc2nn3c(nc(C[NH+]4CCCCCC4)cc3=O)[nH]2)cc1OC ZINC000101796724 560801769 /nfs/dbraw/zinc/80/17/69/560801769.db2.gz HZWPOCRXKFTLRI-UHFFFAOYSA-N 1 0 412.494 2.423 50 0 HEAARO O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(CCc3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000105352085 560870901 /nfs/dbraw/zinc/87/09/01/560870901.db2.gz WDEINBOUOXDXJQ-VKDGWMQASA-N 1 0 401.466 2.156 50 0 HEAARO O=C(Cn1cc(Br)ccc1=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000046028595 568424509 /nfs/dbraw/zinc/42/45/09/568424509.db2.gz VWIMCHKLRYYLBU-UHFFFAOYSA-N 1 0 404.308 2.345 50 0 HEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CC[NH+](C)CC2)cc1Cl ZINC000021157133 568462208 /nfs/dbraw/zinc/46/22/08/568462208.db2.gz LTXMEDTYQLOUNP-IBGZPJMESA-N 1 0 417.941 2.030 50 0 HEAARO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000095408112 568606271 /nfs/dbraw/zinc/60/62/71/568606271.db2.gz XSXSYQQFNPLHGW-MRXNPFEDSA-N 1 0 402.539 2.444 50 0 HEAARO CC(C)C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)NCC[NH+](C)C ZINC000095444083 568611185 /nfs/dbraw/zinc/61/11/85/568611185.db2.gz DYWGECWPNFHARE-SFHVURJKSA-N 1 0 405.930 2.348 50 0 HEAARO COC[C@H](O)C[NH+]1CCC(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)CC1 ZINC000095445008 568611577 /nfs/dbraw/zinc/61/15/77/568611577.db2.gz XYBNEJFMFBCOBQ-MRXNPFEDSA-N 1 0 418.563 2.387 50 0 HEAARO Cc1cc2c(cc1S(=O)(=O)NC1CC[NH+](Cc3ccccc3)CC1)OCC(=O)N2 ZINC000020491694 568614736 /nfs/dbraw/zinc/61/47/36/568614736.db2.gz QBPAAVOYDNXNJU-UHFFFAOYSA-N 1 0 415.515 2.269 50 0 HEAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(C(C)=O)CC2 ZINC000020531850 568627603 /nfs/dbraw/zinc/62/76/03/568627603.db2.gz MZSYZWPAKUMPBG-SFHVURJKSA-N 1 0 405.539 2.012 50 0 biogenic HEAARO Cc1ccc([C@H](CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)[NH+]2CCCC2)o1 ZINC000225522783 568646671 /nfs/dbraw/zinc/64/66/71/568646671.db2.gz MSBMEALNMAWFCD-BWAGFHJFSA-N 1 0 411.502 2.440 50 0 HEAARO CC(C)C[NH+](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)CC(C)C ZINC000020984967 568655145 /nfs/dbraw/zinc/65/51/45/568655145.db2.gz WZRPISYYEVXFLW-UHFFFAOYSA-N 1 0 412.581 2.391 50 0 HEAARO CC[NH+]1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097864 568665426 /nfs/dbraw/zinc/66/54/26/568665426.db2.gz CUPGAHFQSSVMIZ-NRFANRHFSA-N 1 0 403.498 2.375 50 0 HEAARO CCOC(=O)c1cnn(-c2ccc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2)c1N ZINC000021652072 568729793 /nfs/dbraw/zinc/72/97/93/568729793.db2.gz GQJXHDIHMFKZDA-UHFFFAOYSA-N 1 0 421.501 2.493 50 0 HEAARO O=C(Cn1c2cccnc2n(-c2ccc(F)cc2)c1=O)NCC[NH+]1CCCCCC1 ZINC000096385820 568742209 /nfs/dbraw/zinc/74/22/09/568742209.db2.gz QUWIUTGJLRFJNN-UHFFFAOYSA-N 1 0 411.481 2.319 50 0 HEAARO Cn1ncc2c3ccccc3n(CC(=O)N3CCC([NH+]4CCCCC4)CC3)c2c1=O ZINC000096399008 568747567 /nfs/dbraw/zinc/74/75/67/568747567.db2.gz UUOCGLXKOBQZIS-UHFFFAOYSA-N 1 0 407.518 2.365 50 0 HEAARO C[NH+](C)CCCN(C(=O)c1csc(-c2ccsc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000096989738 568765977 /nfs/dbraw/zinc/76/59/77/568765977.db2.gz KACDSJXHGLNQPL-AWEZNQCLSA-N 1 0 413.590 2.453 50 0 HEAARO COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2=O)c(OC)c1 ZINC000230207344 568855009 /nfs/dbraw/zinc/85/50/09/568855009.db2.gz ZRKBYTNENHBEQG-LMMKCTJWSA-N 1 0 415.534 2.437 50 0 biogenic HEAARO CCc1nc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)ncc1C ZINC000299780950 568874916 /nfs/dbraw/zinc/87/49/16/568874916.db2.gz BRAVILWICXSQAF-LJQANCHMSA-N 1 0 401.555 2.109 50 0 HEAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C ZINC000058155756 568893124 /nfs/dbraw/zinc/89/31/24/568893124.db2.gz SNCUYUUHOFLXIJ-KRWDZBQOSA-N 1 0 412.600 2.440 50 0 HEAARO COc1ccccc1CCC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670452072 568927096 /nfs/dbraw/zinc/92/70/96/568927096.db2.gz LDAZDLZEDYZQRG-SILAFFCESA-N 1 0 405.542 2.312 50 0 HEAARO O=C(Cc1c[nH]c2ccccc12)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670463568 568961144 /nfs/dbraw/zinc/96/11/44/568961144.db2.gz DBFOJKUIXZQHRI-WDEWVQCLSA-N 1 0 400.526 2.394 50 0 HEAARO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(C)c1 ZINC000015671229 568961602 /nfs/dbraw/zinc/96/16/02/568961602.db2.gz FRMJUGAEPDIKFD-UHFFFAOYSA-N 1 0 403.552 2.287 50 0 HEAARO CN(CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000007987303 568964983 /nfs/dbraw/zinc/96/49/83/568964983.db2.gz JQAPMVSNCFBCJG-SFHVURJKSA-N 1 0 421.950 2.351 50 0 HEAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008037739 568969870 /nfs/dbraw/zinc/96/98/70/568969870.db2.gz JZAIFYAPDRWYGF-FQEVSTJZSA-N 1 0 413.543 2.475 50 0 HEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2noc3c2CCc2sccc2-3)CC1 ZINC000015733289 568982960 /nfs/dbraw/zinc/98/29/60/568982960.db2.gz LFGNMXZFCFXGKL-UHFFFAOYSA-N 1 0 414.531 2.448 50 0 HEAARO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCC[NH+](C)C)c2)C1 ZINC000008328575 568992710 /nfs/dbraw/zinc/99/27/10/568992710.db2.gz CAFCLGSVBUUFRR-KBPBESRZSA-N 1 0 401.960 2.298 50 0 HEAARO COc1ccccc1[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(N)=O)[NH+]1CCCC1 ZINC000006084801 568997128 /nfs/dbraw/zinc/99/71/28/568997128.db2.gz JHKBGYPXTMVNPC-WOJBJXKFSA-N 1 0 410.518 2.228 50 0 HEAARO Cc1nc(N(C)C)cc(NCCNS(=O)(=O)c2ccc3cccc4c3c2CC4)[nH+]1 ZINC000038488304 568997623 /nfs/dbraw/zinc/99/76/23/568997623.db2.gz ROPIGFHOWLQCJF-UHFFFAOYSA-N 1 0 411.531 2.493 50 0 HEAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000015773288 568998792 /nfs/dbraw/zinc/99/87/92/568998792.db2.gz VGVZYYSLGZSLOD-QHCPKHFHSA-N 1 0 412.578 2.421 50 0 HEAARO CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000015773304 568999018 /nfs/dbraw/zinc/99/90/18/568999018.db2.gz SYDBUUWTSKNTSV-QHCPKHFHSA-N 1 0 406.530 2.293 50 0 HEAARO COc1cc2c(c3oc(=O)c(CC(=O)NCC[NH+](C)C)c(C)c13)CCC(C)(C)O2 ZINC000012902325 569020637 /nfs/dbraw/zinc/02/06/37/569020637.db2.gz FBVRUHSMOVVBTP-UHFFFAOYSA-N 1 0 402.491 2.434 50 0 biogenic HEAARO COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CC[N@H+](C)C[C@@H]43)C2=O)cc1 ZINC000017044055 569030510 /nfs/dbraw/zinc/03/05/10/569030510.db2.gz XGMSQGKASJXCND-AUSIDOKSSA-N 1 0 420.469 2.481 50 0 HEAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCC(S(N)(=O)=O)CC3)cc2)cc1 ZINC000089444348 569060540 /nfs/dbraw/zinc/06/05/40/569060540.db2.gz MYVRGFNPCSVVQN-UHFFFAOYSA-N 1 0 403.504 2.200 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000035991427 569074640 /nfs/dbraw/zinc/07/46/40/569074640.db2.gz JTWJSAAUKDOEGV-HXUWFJFHSA-N 1 0 400.523 2.228 50 0 HEAARO COc1ccc(-c2noc(-c3ccc(NCCCN4CC[NH+](C)CC4)nn3)n2)cc1 ZINC000064838043 569106149 /nfs/dbraw/zinc/10/61/49/569106149.db2.gz BNQPGPFAQLNJDN-UHFFFAOYSA-N 1 0 409.494 2.252 50 0 HEAARO CCOC(=O)c1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1C ZINC000006800610 569126896 /nfs/dbraw/zinc/12/68/96/569126896.db2.gz NGQWSZMUXUCDCU-UHFFFAOYSA-N 1 0 405.520 2.145 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(C)c2c1CS(=O)(=O)c1ccccc1-2 ZINC000006839871 569151178 /nfs/dbraw/zinc/15/11/78/569151178.db2.gz LMHVELFNZZDADC-OAHLLOKOSA-N 1 0 416.547 2.369 50 0 HEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000006839838 569151209 /nfs/dbraw/zinc/15/12/09/569151209.db2.gz RIUQQNMSTBTXQE-OAHLLOKOSA-N 1 0 416.547 2.226 50 0 HEAARO O=C(NCC[NH+]1CCCCCC1)c1nc(Cn2c(=O)oc3ccc(Cl)cc32)no1 ZINC000065111843 569180414 /nfs/dbraw/zinc/18/04/14/569180414.db2.gz TVWYDDYYWHEUFZ-UHFFFAOYSA-N 1 0 419.869 2.285 50 0 HEAARO CC[NH+]1CCN(c2ncc(N3CCC(C(=O)NC4CCCCC4)CC3)cn2)CC1 ZINC000065166760 569188783 /nfs/dbraw/zinc/18/87/83/569188783.db2.gz XJDIWMOCCRPTJT-UHFFFAOYSA-N 1 0 400.571 2.284 50 0 HEAARO COc1cc(NC(=O)NCCNc2nc(N(C)C)cc(C)[nH+]2)cc(OC)c1OC ZINC000036708132 569222147 /nfs/dbraw/zinc/22/21/47/569222147.db2.gz NFZZAFFIRPPDEY-UHFFFAOYSA-N 1 0 404.471 2.110 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312958 569222341 /nfs/dbraw/zinc/22/23/41/569222341.db2.gz CHLVIVZHYDATBL-MRXNPFEDSA-N 1 0 404.946 2.399 50 0 HEAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC)c1)Cc1ccccc1 ZINC000037176751 569239532 /nfs/dbraw/zinc/23/95/32/569239532.db2.gz PAUNORNXSMCTBB-LJQANCHMSA-N 1 0 403.548 2.278 50 0 HEAARO C[NH+](C)CCc1ccc(CNC(=O)CCn2cc(Br)ccc2=O)cc1 ZINC000170604612 569243950 /nfs/dbraw/zinc/24/39/50/569243950.db2.gz LEJLLLFPQAFCDP-UHFFFAOYSA-N 1 0 406.324 2.421 50 0 HEAARO C[N@H+](CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1)C1CC1 ZINC000170606119 569244342 /nfs/dbraw/zinc/24/43/42/569244342.db2.gz ISQXRBWYWJLBNZ-SFHVURJKSA-N 1 0 411.502 2.160 50 0 HEAARO CCN(CC)C(=O)[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1OC(C)=O ZINC000000896449 569276825 /nfs/dbraw/zinc/27/68/25/569276825.db2.gz JSZILQVIPPROJI-QYZOEREBSA-N 1 0 404.507 2.423 50 0 world HEAARO O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252570576 569294313 /nfs/dbraw/zinc/29/43/13/569294313.db2.gz WUMOGGAJJHRNBD-WDSOQIARSA-N 1 0 416.497 2.221 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000253384883 569364854 /nfs/dbraw/zinc/36/48/54/569364854.db2.gz QMLNGBPKBHKELV-QHIFUMFDSA-N 1 0 415.877 2.494 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@H](C)O)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000253384881 569364888 /nfs/dbraw/zinc/36/48/88/569364888.db2.gz QMLNGBPKBHKELV-CQOXBNLESA-N 1 0 415.877 2.494 50 0 HEAARO CC1CC[NH+]([C@H](CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2cccs2)CC1 ZINC000027575312 569374761 /nfs/dbraw/zinc/37/47/61/569374761.db2.gz PDJDTXGONKAFCB-QGZVFWFLSA-N 1 0 413.609 2.309 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)CCNS(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000027678424 569389574 /nfs/dbraw/zinc/38/95/74/569389574.db2.gz CXHGVTILQASUAT-OAHLLOKOSA-N 1 0 415.968 2.489 50 0 HEAARO CN(C[C@H](O)CN1CC[NH+](C)CC1)C(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000078996085 569423141 /nfs/dbraw/zinc/42/31/41/569423141.db2.gz ZGGGOVLSINHQOX-INIZCTEOSA-N 1 0 402.366 2.383 50 0 HEAARO NC(=O)C1([NH2+]CC(=O)Nc2ccccc2I)CCCCC1 ZINC000079023308 569424413 /nfs/dbraw/zinc/42/44/13/569424413.db2.gz NMIILGMCPVFPOV-UHFFFAOYSA-N 1 0 401.248 2.008 50 0 HEAARO CC[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000019819892 569430670 /nfs/dbraw/zinc/43/06/70/569430670.db2.gz MOKOSZLQBJIXRW-IBGZPJMESA-N 1 0 417.531 2.072 50 0 HEAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079482301 569431875 /nfs/dbraw/zinc/43/18/75/569431875.db2.gz WGXWCKLNDKORRU-UHFFFAOYSA-N 1 0 410.562 2.395 50 0 HEAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ncccn2)CC1)c1cccc(OC)c1 ZINC000040071232 571151979 /nfs/dbraw/zinc/15/19/79/571151979.db2.gz ICJVJTRXSQSZMO-FQEVSTJZSA-N 1 0 412.538 2.400 50 0 HEAARO NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000040154237 571201421 /nfs/dbraw/zinc/20/14/21/571201421.db2.gz SSQNWPPTKHPCNA-GOSISDBHSA-N 1 0 407.561 2.281 50 0 HEAARO Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C(=O)NCC[NH+](C)C ZINC000009530941 571266935 /nfs/dbraw/zinc/26/69/35/571266935.db2.gz NKXFJTMMWIPOLX-UHFFFAOYSA-N 1 0 412.321 2.471 50 0 HEAARO COc1cccc([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)[NH+]2CCCC2)c1 ZINC000009952669 571291549 /nfs/dbraw/zinc/29/15/49/571291549.db2.gz FNARHYOJMMJLGZ-OAQYLSRUSA-N 1 0 406.486 2.358 50 0 HEAARO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccccc2C)c(=O)n3C)n1CCC[NH+](C)C ZINC000010233660 571297744 /nfs/dbraw/zinc/29/77/44/571297744.db2.gz ZUOGNEJRAFRYQR-UHFFFAOYSA-N 1 0 422.533 2.075 50 0 HEAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000071850333 571303520 /nfs/dbraw/zinc/30/35/20/571303520.db2.gz SRIQUYHEPJEBJS-QZTJIDSGSA-N 1 0 412.534 2.114 50 0 HEAARO O=C(CN1CCCc2nc(-c3ccccc3)ncc2C1=O)NCC[NH+]1CCCCC1 ZINC000581787388 1078760762 /nfs/dbraw/zinc/76/07/62/1078760762.db2.gz FBCARSBSYWXSQA-UHFFFAOYSA-N 1 0 407.518 2.134 50 0 HEAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)C[C@@H]([NH+]1CCOCC1)CCO2 ZINC000581784021 1078763940 /nfs/dbraw/zinc/76/39/40/1078763940.db2.gz WZJFOWFRYOUEDD-SFHVURJKSA-N 1 0 417.506 2.336 50 0 HEAARO COc1ccc(CCC(=O)N2CCC3(C[C@H](CN4CCOCC4)[N@H+](C)C3)CC2)cc1 ZINC000581802629 1078772367 /nfs/dbraw/zinc/77/23/67/1078772367.db2.gz LTFITARAAPRRGN-OAQYLSRUSA-N 1 0 415.578 2.273 50 0 HEAARO COCCO[C@H]1C[N@H+](C2CCN(C(=O)c3cc(C)nn3C)CC2)C12CCCCC2 ZINC000581802447 1078772541 /nfs/dbraw/zinc/77/25/41/1078772541.db2.gz KKCFESCHYJJKJA-FQEVSTJZSA-N 1 0 404.555 2.383 50 0 HEAARO CCn1cc(S(=O)(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C3CCOCC3)C2)cn1 ZINC000575546478 1076344615 /nfs/dbraw/zinc/34/46/15/1076344615.db2.gz OYLIRSXXGYBOJK-QGZVFWFLSA-N 1 0 407.540 2.328 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000020548941 520562956 /nfs/dbraw/zinc/56/29/56/520562956.db2.gz MURBGNLIIHCKGI-IHSNIMORSA-N 1 0 405.495 2.099 50 0 HEAARO CCn1cc(CN2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020538931 523371227 /nfs/dbraw/zinc/37/12/27/523371227.db2.gz GSQRRZWGMWPFMM-OAQYLSRUSA-N 1 0 411.550 2.414 50 0 HEAARO COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(OC)c1 ZINC000020599813 524031534 /nfs/dbraw/zinc/03/15/34/524031534.db2.gz FLDOWZCOUDYYLI-NRFANRHFSA-N 1 0 405.583 2.445 50 0 HEAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1nnc2ccccc2c1=O ZINC000032930744 524113813 /nfs/dbraw/zinc/11/38/13/524113813.db2.gz NQDGBMTXHMKOQQ-QGZVFWFLSA-N 1 0 405.502 2.482 50 0 HEAARO Cc1cccc(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000020600821 524408548 /nfs/dbraw/zinc/40/85/48/524408548.db2.gz SOBHVDNIPVTZBC-UHFFFAOYSA-N 1 0 404.518 2.289 50 0 HEAARO COc1ccc(OC)c(C[NH2+]Cc2cccn2-c2nnc(N3CCOCC3)s2)c1 ZINC000020576755 524835676 /nfs/dbraw/zinc/83/56/76/524835676.db2.gz NJXCYKWWAIQWPR-UHFFFAOYSA-N 1 0 415.519 2.472 50 0 HEAARO Cc1ccccc1N(CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)S(C)(=O)=O ZINC000040162014 525216659 /nfs/dbraw/zinc/21/66/59/525216659.db2.gz DPPYMHASGSIFAW-LJQANCHMSA-N 1 0 407.511 2.319 50 0 HEAARO CCNc1cc(C)[nH+]c(N2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)n1 ZINC000009620844 535520714 /nfs/dbraw/zinc/52/07/14/535520714.db2.gz PTJQZKIZKQZGRY-UHFFFAOYSA-N 1 0 405.524 2.126 50 0 HEAARO C[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000007725895 536424255 /nfs/dbraw/zinc/42/42/55/536424255.db2.gz MXUZQIALJMPCPT-UHFFFAOYSA-N 1 0 414.531 2.366 50 0 HEAARO CC(C)[C@@H](CNS(=O)(=O)c1ccc(Br)s1)N1CC[NH+](C)CC1 ZINC000097324291 557270087 /nfs/dbraw/zinc/27/00/87/557270087.db2.gz NLXGXLPGUNMASX-GFCCVEGCSA-N 1 0 410.403 2.061 50 0 HEAARO CCC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccc(F)cc3)co2)CC1 ZINC000034677358 557364794 /nfs/dbraw/zinc/36/47/94/557364794.db2.gz RCRCYSSQZYPFLB-SFHVURJKSA-N 1 0 404.486 2.022 50 0 HEAARO Cn1c2nc(SCC[NH+]3CCCCC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O ZINC000004134841 557518566 /nfs/dbraw/zinc/51/85/66/557518566.db2.gz FTLMXWVNPPLVFC-UHFFFAOYSA-N 1 0 413.547 2.244 50 0 HEAARO COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cn(CC[NH+]4CCCCC4)nn3)C2)c1 ZINC000011661224 558265368 /nfs/dbraw/zinc/26/53/68/558265368.db2.gz CTXHDXQNMRKTJV-QGZVFWFLSA-N 1 0 413.522 2.411 50 0 HEAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CN1C(=O)CSC1=O ZINC000011662859 558266477 /nfs/dbraw/zinc/26/64/77/558266477.db2.gz IXOZDBZWGJOSMP-UHFFFAOYSA-N 1 0 407.511 2.234 50 0 HEAARO COCc1ccc(CN2CCC([NH+]3CCC(C(=O)NC[C@H]4CCCO4)CC3)CC2)o1 ZINC000011774891 558274892 /nfs/dbraw/zinc/27/48/92/558274892.db2.gz AXOOKWQSJKXOML-HXUWFJFHSA-N 1 0 419.566 2.398 50 0 HEAARO Cc1ccc(OCCOCCN2CC[NH+](C)CC2)c(I)c1 ZINC000019792475 558283457 /nfs/dbraw/zinc/28/34/57/558283457.db2.gz AIXGMCRIBSMLHB-UHFFFAOYSA-N 1 0 404.292 2.242 50 0 HEAARO COc1cccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c1OC ZINC000012135595 558333789 /nfs/dbraw/zinc/33/37/89/558333789.db2.gz ZVUOMNWPCBXZOY-OAHLLOKOSA-N 1 0 401.511 2.187 50 0 HEAARO COc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020208675 558347209 /nfs/dbraw/zinc/34/72/09/558347209.db2.gz JTMNIXJMAGCICP-LJQANCHMSA-N 1 0 422.472 2.335 50 0 HEAARO O=C(c1cn(CC[NH+]2CCCCC2)nn1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000012194213 558348925 /nfs/dbraw/zinc/34/89/25/558348925.db2.gz NNYJLSULPBKJMX-LJQANCHMSA-N 1 0 403.552 2.411 50 0 HEAARO CCOc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H](CCC(=O)OC)C2)ccc1O ZINC000020351912 558356931 /nfs/dbraw/zinc/35/69/31/558356931.db2.gz UEERLYDYUAICBS-RBUKOAKNSA-N 1 0 406.523 2.267 50 0 HEAARO Cc1c(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cnn1C ZINC000020455137 558368871 /nfs/dbraw/zinc/36/88/71/558368871.db2.gz UWPUJFQOVWLCIS-OAQYLSRUSA-N 1 0 411.550 2.239 50 0 HEAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000012304352 558373567 /nfs/dbraw/zinc/37/35/67/558373567.db2.gz GTNFIZZGPXOTDK-JOCHJYFZSA-N 1 0 413.562 2.227 50 0 HEAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000012304351 558373652 /nfs/dbraw/zinc/37/36/52/558373652.db2.gz GTNFIZZGPXOTDK-QFIPXVFZSA-N 1 0 413.562 2.227 50 0 HEAARO O=C(NC[C@@H]1COCCO1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012307908 558376476 /nfs/dbraw/zinc/37/64/76/558376476.db2.gz ORRWQWYIDLEFPW-HXUWFJFHSA-N 1 0 411.502 2.270 50 0 HEAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000020517988 558383121 /nfs/dbraw/zinc/38/31/21/558383121.db2.gz BBJAVEZXMFGKFY-XWQURZDVSA-N 1 0 407.445 2.402 50 0 HEAARO CC[NH+]1CCN(C[C@H](O)COc2cccc(CN(C)Cc3csc(C)n3)c2)CC1 ZINC000020782381 558413236 /nfs/dbraw/zinc/41/32/36/558413236.db2.gz VNZZIPLVURRNSP-NRFANRHFSA-N 1 0 418.607 2.461 50 0 HEAARO CC(=O)NCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012473871 558422262 /nfs/dbraw/zinc/42/22/62/558422262.db2.gz MZDURWARPDQCMG-QFIPXVFZSA-N 1 0 401.551 2.351 50 0 HEAARO C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)C[C@H](C)O1 ZINC000072036965 558434613 /nfs/dbraw/zinc/43/46/13/558434613.db2.gz WYYAFKUQFHKHMB-HDICACEKSA-N 1 0 402.539 2.221 50 0 HEAARO O=C(CC1=CCCCC1)N1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000012591996 558436170 /nfs/dbraw/zinc/43/61/70/558436170.db2.gz REWKFMHFUQCTBU-UHFFFAOYSA-N 1 0 403.567 2.439 50 0 HEAARO O=C(CCN(C[C@H]1CCCO1)C(=O)c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000021534856 558440924 /nfs/dbraw/zinc/44/09/24/558440924.db2.gz WRVIYDYYKSYTAS-QGZVFWFLSA-N 1 0 413.440 2.149 50 0 HEAARO CC(=O)N1CCc2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3ccc(C)o3)ccc21 ZINC000059747288 558481275 /nfs/dbraw/zinc/48/12/75/558481275.db2.gz RWJRJGOJXAOTKR-UHFFFAOYSA-N 1 0 405.520 2.250 50 0 HEAARO CCn1c(=S)n(CN2CC[NH+](Cc3ccccc3)CC2)nc1N1CCOCC1 ZINC000023257478 558546707 /nfs/dbraw/zinc/54/67/07/558546707.db2.gz SWARVDQNUXEORG-UHFFFAOYSA-N 1 0 402.568 2.046 50 0 HEAARO O=C(Cc1cccnc1)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023375053 558554522 /nfs/dbraw/zinc/55/45/22/558554522.db2.gz WDQRLHRPXSRNLF-NRFANRHFSA-N 1 0 422.529 2.162 50 0 HEAARO O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000014047937 558615330 /nfs/dbraw/zinc/61/53/30/558615330.db2.gz UIDHVTZQVLLNLG-LJQANCHMSA-N 1 0 424.501 2.090 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329118 558638187 /nfs/dbraw/zinc/63/81/87/558638187.db2.gz JNGPFHZANKXHDS-NVXWUHKLSA-N 1 0 415.515 2.291 50 0 HEAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3ccccc3Cl)C[C@@H]12 ZINC000014541330 558660159 /nfs/dbraw/zinc/66/01/59/558660159.db2.gz NPCFNRQNUOZASB-IHPCNDPISA-N 1 0 413.905 2.114 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014542784 558660629 /nfs/dbraw/zinc/66/06/29/558660629.db2.gz RURNEBWKCVHEME-SFHVURJKSA-N 1 0 418.563 2.222 50 0 HEAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000027132031 558669800 /nfs/dbraw/zinc/66/98/00/558669800.db2.gz BNFLHDKYATVXAM-INIZCTEOSA-N 1 0 411.568 2.321 50 0 HEAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014751504 558670895 /nfs/dbraw/zinc/67/08/95/558670895.db2.gz PKCRCSQZTLWBGQ-UHFFFAOYSA-N 1 0 424.501 2.233 50 0 HEAARO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCc1cccc(F)c1)C2 ZINC000014753261 558671278 /nfs/dbraw/zinc/67/12/78/558671278.db2.gz VRPZKBBWCGPCEA-SFHVURJKSA-N 1 0 400.498 2.204 50 0 HEAARO CN(Cc1ccco1)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O ZINC000014882563 558676671 /nfs/dbraw/zinc/67/66/71/558676671.db2.gz PEHMWXXRZIIXQO-QFIPXVFZSA-N 1 0 415.465 2.026 50 0 HEAARO COc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1OC ZINC000027605931 558677334 /nfs/dbraw/zinc/67/73/34/558677334.db2.gz JUZHBEXIGBINKK-MRXNPFEDSA-N 1 0 417.531 2.448 50 0 HEAARO O=C(Cn1cncn1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014964481 558685397 /nfs/dbraw/zinc/68/53/97/558685397.db2.gz RKRWEZYXAYSXEC-QHCPKHFHSA-N 1 0 423.561 2.165 50 0 HEAARO CC(=O)NCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014968560 558686619 /nfs/dbraw/zinc/68/66/19/558686619.db2.gz PWGVYYFXROZCCB-HXUWFJFHSA-N 1 0 405.514 2.181 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000022937563 558725886 /nfs/dbraw/zinc/72/58/86/558725886.db2.gz OFAYKDGGODNERR-KRWDZBQOSA-N 1 0 416.595 2.052 50 0 HEAARO CC(C)[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022103 558767849 /nfs/dbraw/zinc/76/78/49/558767849.db2.gz DGFGEQTWBFZXIJ-KTIHBUSBSA-N 1 0 421.472 2.445 50 0 HEAARO CC(C)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022102 558767863 /nfs/dbraw/zinc/76/78/63/558767863.db2.gz DGFGEQTWBFZXIJ-XHOYROJHSA-N 1 0 421.472 2.445 50 0 HEAARO C[C@@H]1[NH2+][C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000016022240 558768184 /nfs/dbraw/zinc/76/81/84/558768184.db2.gz VFEXCJGQOMAQCM-SUAZZXKWSA-N 1 0 409.873 2.323 50 0 HEAARO CC[NH+]1CCN(c2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nn2)CC1 ZINC000004583386 558773212 /nfs/dbraw/zinc/77/32/12/558773212.db2.gz MGJVYYSMDFAFLA-UHFFFAOYSA-N 1 0 414.941 2.234 50 0 HEAARO CC[NH+](CC)CCNC(=O)Cc1nn(CCc2ccccn2)c(=O)c2ccccc12 ZINC000016671534 558776813 /nfs/dbraw/zinc/77/68/13/558776813.db2.gz RVMRAIDHKVCLPX-UHFFFAOYSA-N 1 0 407.518 2.035 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC000016427498 558790766 /nfs/dbraw/zinc/79/07/66/558790766.db2.gz IOSCWJMKROTXTO-HXUWFJFHSA-N 1 0 409.596 2.048 50 0 HEAARO COc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2cccc(OC)c2)c1 ZINC000035421834 558791140 /nfs/dbraw/zinc/79/11/40/558791140.db2.gz SAESJMQTPSJDMC-UHFFFAOYSA-N 1 0 411.502 2.168 50 0 HEAARO CC(=O)Nc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCc2ccccc2)c1 ZINC000035421687 558791201 /nfs/dbraw/zinc/79/12/01/558791201.db2.gz SAHUJNATPFFXLC-UHFFFAOYSA-N 1 0 422.529 2.152 50 0 HEAARO COc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)C[C@H]2CCO)cc(OC)c1 ZINC000039447824 558821507 /nfs/dbraw/zinc/82/15/07/558821507.db2.gz RKCRVNCHKQIKRW-OAQYLSRUSA-N 1 0 405.583 2.445 50 0 HEAARO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCC[NH+]3CCCC3)s2)cc1 ZINC000033011793 558831224 /nfs/dbraw/zinc/83/12/24/558831224.db2.gz GNFKUPGIWXCAQE-UHFFFAOYSA-N 1 0 405.549 2.403 50 0 HEAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072314227 558842155 /nfs/dbraw/zinc/84/21/55/558842155.db2.gz PVVBYURAADNYBB-QFBILLFUSA-N 1 0 407.942 2.275 50 0 HEAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033458 558857805 /nfs/dbraw/zinc/85/78/05/558857805.db2.gz BBDBRDRWYAETOO-UHFFFAOYSA-N 1 0 416.547 2.161 50 0 HEAARO CCNC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000033034153 558858330 /nfs/dbraw/zinc/85/83/30/558858330.db2.gz VSCPKGJNWUBIQF-UHFFFAOYSA-N 1 0 416.547 2.264 50 0 HEAARO CCCC[NH+]1CCN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)CC1 ZINC000072329678 558865100 /nfs/dbraw/zinc/86/51/00/558865100.db2.gz KDZPYBCXXHQGLH-UHFFFAOYSA-N 1 0 424.505 2.007 50 0 HEAARO CC[NH+]1CCN(c2nccc(-c3cnc4nc(-c5cccnc5)nn4c3C)n2)CC1 ZINC000054202028 558866725 /nfs/dbraw/zinc/86/67/25/558866725.db2.gz DOXUNCZDBBPTOQ-UHFFFAOYSA-N 1 0 401.478 2.094 50 0 HEAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)CC1 ZINC000055568736 558882949 /nfs/dbraw/zinc/88/29/49/558882949.db2.gz WIJOWMMEGVRXRI-HXUWFJFHSA-N 1 0 416.566 2.226 50 0 HEAARO Cc1noc(C)c1CCNC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048302 558885380 /nfs/dbraw/zinc/88/53/80/558885380.db2.gz AQMKKRQIXZUTFQ-UHFFFAOYSA-N 1 0 414.535 2.329 50 0 HEAARO O=C(c1cnc2ccccn12)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762010 558910265 /nfs/dbraw/zinc/91/02/65/558910265.db2.gz HOAHQYPFKVLMGS-SFHVURJKSA-N 1 0 409.534 2.273 50 0 HEAARO C[N@@H+]1CCCN(c2ccc(NC(=O)NCc3cccnc3-n3cncn3)cc2F)CC1 ZINC000058201365 558911378 /nfs/dbraw/zinc/91/13/78/558911378.db2.gz BXGRIVFHWXLUDE-UHFFFAOYSA-N 1 0 424.484 2.265 50 0 HEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)c1C ZINC000071774900 558911546 /nfs/dbraw/zinc/91/15/46/558911546.db2.gz WZMHUUQBPJMSRV-HXUWFJFHSA-N 1 0 408.550 2.486 50 0 HEAARO O=C(NC[C@H]([C@@H]1CCOC1)N1CCOCC1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000058297350 558917357 /nfs/dbraw/zinc/91/73/57/558917357.db2.gz XWUFCHHOBGXQAD-TZIWHRDSSA-N 1 0 402.539 2.141 50 0 HEAARO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000060061267 558940754 /nfs/dbraw/zinc/94/07/54/558940754.db2.gz JKVZUNURVFLIHJ-SFHVURJKSA-N 1 0 405.564 2.147 50 0 HEAARO O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374068 558942056 /nfs/dbraw/zinc/94/20/56/558942056.db2.gz KOWYPXFZLHHXAK-HUUCEWRRSA-N 1 0 406.324 2.499 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065361966 558972509 /nfs/dbraw/zinc/97/25/09/558972509.db2.gz ZCITXFZNFWWCHS-UHFFFAOYSA-N 1 0 416.551 2.436 50 0 HEAARO O=C(CC[NH+]1CCCC1)N1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000077340424 559001782 /nfs/dbraw/zinc/00/17/82/559001782.db2.gz STHWAEQVGSSWLS-UHFFFAOYSA-N 1 0 401.507 2.365 50 0 HEAARO C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)OC1=O ZINC000077389747 559003546 /nfs/dbraw/zinc/00/35/46/559003546.db2.gz MZHKLVBEIPLFOK-UHFFFAOYSA-N 1 0 411.506 2.011 50 0 HEAARO CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCOc1ccccc1 ZINC000023109740 559011314 /nfs/dbraw/zinc/01/13/14/559011314.db2.gz UNJRRNNMRQYKPD-UHFFFAOYSA-N 1 0 414.510 2.058 50 0 HEAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000023127521 559015890 /nfs/dbraw/zinc/01/58/90/559015890.db2.gz HWJQCPHGSLWFMO-UHFFFAOYSA-N 1 0 415.515 2.486 50 0 HEAARO CC[NH+](CC)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1cccs1)Cc1ccccc1 ZINC000023197407 559032252 /nfs/dbraw/zinc/03/22/52/559032252.db2.gz KOFROQVESCTNJT-GOSISDBHSA-N 1 0 423.604 2.438 50 0 HEAARO CCc1nnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082086673 559036797 /nfs/dbraw/zinc/03/67/97/559036797.db2.gz UWMCJAPQEWHQHW-GOSISDBHSA-N 1 0 412.538 2.020 50 0 HEAARO Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082096535 559037322 /nfs/dbraw/zinc/03/73/22/559037322.db2.gz VFLPEVCBKOXRLZ-FQEVSTJZSA-N 1 0 410.566 2.116 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)[nH]n1 ZINC000082106124 559038110 /nfs/dbraw/zinc/03/81/10/559038110.db2.gz ZFKAOFLMMMJTCI-HXUWFJFHSA-N 1 0 423.561 2.394 50 0 HEAARO CN(CCC(C)(C)O)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109116 559038876 /nfs/dbraw/zinc/03/88/76/559038876.db2.gz MZNYMLAVYBKZAM-FQEVSTJZSA-N 1 0 402.583 2.377 50 0 HEAARO Cc1cc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)on1 ZINC000082136791 559040329 /nfs/dbraw/zinc/04/03/29/559040329.db2.gz LRCWZISNYMXQHU-SFHVURJKSA-N 1 0 411.506 2.011 50 0 HEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082157049 559041544 /nfs/dbraw/zinc/04/15/44/559041544.db2.gz YREAQNHMVBVOQC-IBGZPJMESA-N 1 0 408.550 2.486 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]CCCN1CCOCC1)C[C@H](C)CC2 ZINC000004747878 559046073 /nfs/dbraw/zinc/04/60/73/559046073.db2.gz FOKPXPKMTXIUFB-OAHLLOKOSA-N 1 0 423.579 2.300 50 0 HEAARO COc1cccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000023224717 559062759 /nfs/dbraw/zinc/06/27/59/559062759.db2.gz BEQUTUGOIHZQOT-FQEVSTJZSA-N 1 0 404.482 2.413 50 0 HEAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000004791643 559065472 /nfs/dbraw/zinc/06/54/72/559065472.db2.gz ZRIZNQIHEWVWBM-UHFFFAOYSA-N 1 0 422.529 2.394 50 0 HEAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)[C@@H](C)N2CCOCC2)cc1 ZINC000095500969 559082371 /nfs/dbraw/zinc/08/23/71/559082371.db2.gz YCMNOJIJLZURAP-LJQANCHMSA-N 1 0 403.567 2.129 50 0 HEAARO CCc1nn(CC(=O)NCCC[NH+]2CCCCC2)c(=O)c2cc3sccc3n21 ZINC000005108988 559246799 /nfs/dbraw/zinc/24/67/99/559246799.db2.gz MTXXLCCFNJYJDB-UHFFFAOYSA-N 1 0 401.536 2.265 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H](c1ccccc1)n1cnnn1 ZINC000409413940 559250825 /nfs/dbraw/zinc/25/08/25/559250825.db2.gz LSDQYVGCUAPKNN-HBMCJLEFSA-N 1 0 412.538 2.002 50 0 HEAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000062580478 559273712 /nfs/dbraw/zinc/27/37/12/559273712.db2.gz UREIIXDZKLDSDW-UHFFFAOYSA-N 1 0 405.520 2.448 50 0 HEAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](CCO)C[C@H]12 ZINC000247992602 559275062 /nfs/dbraw/zinc/27/50/62/559275062.db2.gz BKTKCSYTIZBPQN-UPVQGACJSA-N 1 0 404.514 2.443 50 0 HEAARO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CC(=O)Nc2ccccc2CC)C1 ZINC000050997171 560539226 /nfs/dbraw/zinc/53/92/26/560539226.db2.gz XCVJZHWMPQMWIY-PKOBYXMFSA-N 1 0 416.566 2.273 50 0 HEAARO COc1cc(C(=O)NCCNc2ccc(Nc3cc[nH+]cc3)nn2)cc(OC)c1OC ZINC000011697778 560773892 /nfs/dbraw/zinc/77/38/92/560773892.db2.gz GWTUNGLTIXCORZ-UHFFFAOYSA-N 1 0 424.461 2.483 50 0 HEAARO CCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2CCCN2CCOCC2)C1=O ZINC000101652470 560798020 /nfs/dbraw/zinc/79/80/20/560798020.db2.gz XWSWZLZCDAZKGX-XMMPIXPASA-N 1 0 420.513 2.496 50 0 HEAARO CN(C)[C@H](CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000101696646 560798245 /nfs/dbraw/zinc/79/82/45/560798245.db2.gz KEOMFCGDGULYNF-HXUWFJFHSA-N 1 0 404.514 2.324 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(F)cc2I)CC1 ZINC000048217858 568432440 /nfs/dbraw/zinc/43/24/40/568432440.db2.gz DVSSMTVTYODRPN-UHFFFAOYSA-N 1 0 419.282 2.188 50 0 HEAARO C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(C(=O)Nc2nncs2)CC1 ZINC000048229815 568433367 /nfs/dbraw/zinc/43/33/67/568433367.db2.gz FXAJXZSHXILQGB-GFCCVEGCSA-N 1 0 405.549 2.224 50 0 HEAARO CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C2=O ZINC000048270702 568433872 /nfs/dbraw/zinc/43/38/72/568433872.db2.gz HTBVRFMKKRPUNO-QGUMVPPKSA-N 1 0 406.571 2.361 50 0 HEAARO O=C(Cn1cnc2c(c1=O)C[N@H+](Cc1ccccc1)CC2)Nc1ccc2c(c1)OCO2 ZINC000049400735 568447547 /nfs/dbraw/zinc/44/75/47/568447547.db2.gz RQZRSADROZEBJP-UHFFFAOYSA-N 1 0 418.453 2.169 50 0 HEAARO COc1ccccc1OCC[NH2+]CC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000049581357 568452824 /nfs/dbraw/zinc/45/28/24/568452824.db2.gz QBXWITTWBGEUTC-UHFFFAOYSA-N 1 0 400.475 2.266 50 0 HEAARO CN(CC[NH+]1CCCCC1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000012373243 568517401 /nfs/dbraw/zinc/51/74/01/568517401.db2.gz XJEMLQMTIKCUQO-HSZRJFAPSA-N 1 0 422.573 2.475 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214202 568594715 /nfs/dbraw/zinc/59/47/15/568594715.db2.gz WQOUTLSRWODWAK-GOSISDBHSA-N 1 0 406.914 2.149 50 0 HEAARO Cn1nc(-c2ccccc2F)c2cc(C(=O)NCCN3CC[NH+](C)CC3)sc21 ZINC000020329225 568599066 /nfs/dbraw/zinc/59/90/66/568599066.db2.gz JJCRGTSXPFSXDQ-UHFFFAOYSA-N 1 0 401.511 2.418 50 0 HEAARO CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)s1 ZINC000095455481 568616993 /nfs/dbraw/zinc/61/69/93/568616993.db2.gz ZEVONMYFNNFXIK-MRXNPFEDSA-N 1 0 413.609 2.216 50 0 HEAARO COc1cccc(C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C2CC2)c1 ZINC000095461201 568620665 /nfs/dbraw/zinc/62/06/65/568620665.db2.gz DKFLAKGUEWHLRH-FQEVSTJZSA-N 1 0 405.458 2.352 50 0 HEAARO C[N@H+](CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1)Cc1ccccc1 ZINC000020510493 568621056 /nfs/dbraw/zinc/62/10/56/568621056.db2.gz FMMZVIGXXYPIEJ-UHFFFAOYSA-N 1 0 418.563 2.441 50 0 HEAARO Cc1nc2c3ccc(Br)cc3nn2c(C)c1CC(=O)NCC[NH+](C)C ZINC000095479381 568632436 /nfs/dbraw/zinc/63/24/36/568632436.db2.gz NDBUXCOLZTWSEN-UHFFFAOYSA-N 1 0 404.312 2.482 50 0 HEAARO O=C(Cn1cnc2onc(-c3ccc(Cl)cc3)c2c1=O)NCCC[NH+]1CCCC1 ZINC000020847813 568644475 /nfs/dbraw/zinc/64/44/75/568644475.db2.gz QFOKWQPIVHTYIJ-UHFFFAOYSA-N 1 0 415.881 2.307 50 0 HEAARO CCn1c(C(=O)N2CCC(C(=O)NC(=O)C3CC[NH2+]CC3)CC2)cc2sccc21 ZINC000020861935 568646028 /nfs/dbraw/zinc/64/60/28/568646028.db2.gz UZEAGQMZUWTULH-UHFFFAOYSA-N 1 0 416.547 2.217 50 0 HEAARO COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000020953711 568653659 /nfs/dbraw/zinc/65/36/59/568653659.db2.gz VUFWTJIOAHYBAP-HXUWFJFHSA-N 1 0 423.604 2.207 50 0 HEAARO COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)N2CC[NH+](C)CC2)cc1 ZINC000020953715 568653688 /nfs/dbraw/zinc/65/36/88/568653688.db2.gz VUFWTJIOAHYBAP-FQEVSTJZSA-N 1 0 423.604 2.207 50 0 HEAARO COc1cc(C[NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc2c1OCO2 ZINC000095981110 568675315 /nfs/dbraw/zinc/67/53/15/568675315.db2.gz YSJIUISDTNRJSJ-OALUTQOASA-N 1 0 409.486 2.112 50 0 HEAARO C[N@H+](CCNC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)C1CCCCC1 ZINC000021927308 568761186 /nfs/dbraw/zinc/76/11/86/568761186.db2.gz YOABOXPLJFYTDI-MRXNPFEDSA-N 1 0 420.583 2.014 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCCCC3)C2)cc1 ZINC000003048438 568849573 /nfs/dbraw/zinc/84/95/73/568849573.db2.gz OUSXANDKVXGBAQ-LJQANCHMSA-N 1 0 407.580 2.388 50 0 HEAARO COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c(OC)c1 ZINC000230466116 568861447 /nfs/dbraw/zinc/86/14/47/568861447.db2.gz ZRKBYTNENHBEQG-ZHALLVOQSA-N 1 0 415.534 2.437 50 0 biogenic HEAARO COc1cc(C[NH2+][C@H]2CC[C@@H](n3cc(C(=O)NC(C)C)nn3)CC2)cc2c1OCO2 ZINC000299761911 568873333 /nfs/dbraw/zinc/87/33/33/568873333.db2.gz ZVGRMBVLILASHW-IYBDPMFKSA-N 1 0 415.494 2.427 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1cccc3cccnc31)CC2)c1ccoc1 ZINC000299770038 568874165 /nfs/dbraw/zinc/87/41/65/568874165.db2.gz QAQZWLCCZUKNFK-UHFFFAOYSA-N 1 0 416.485 2.450 50 0 HEAARO O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CC[NH+](CCCn2cccn2)CC1 ZINC000299775362 568874557 /nfs/dbraw/zinc/87/45/57/568874557.db2.gz BNPMPSRFMHFHKH-OAQYLSRUSA-N 1 0 416.497 2.183 50 0 HEAARO O=C(/C=C/c1ccccc1)NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299776938 568874694 /nfs/dbraw/zinc/87/46/94/568874694.db2.gz ILNKFBOLIOAECA-UVIRAJKCSA-N 1 0 411.546 2.165 50 0 HEAARO COc1ccc(F)c(F)c1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670458538 568944734 /nfs/dbraw/zinc/94/47/34/568944734.db2.gz UELOEBPFOZBHQE-HEBXWJCKSA-N 1 0 413.468 2.271 50 0 HEAARO CCCCCn1c(N2CC[NH+](Cc3ccc(C)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004316431 568962119 /nfs/dbraw/zinc/96/21/19/568962119.db2.gz ZBLXKWUKTTYYST-UHFFFAOYSA-N 1 0 424.549 2.244 50 0 HEAARO O=S(=O)(c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1)N1CCOCC1 ZINC000007980175 568963466 /nfs/dbraw/zinc/96/34/66/568963466.db2.gz HZUNBGRHLSDHDA-HXUWFJFHSA-N 1 0 416.547 2.352 50 0 HEAARO COCC1CCN(S(=O)(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000670468616 568977344 /nfs/dbraw/zinc/97/73/44/568977344.db2.gz MSFARYGUTHDFBO-NRFANRHFSA-N 1 0 409.596 2.134 50 0 HEAARO CCc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccc(F)cc2)cc1 ZINC000015864249 569016409 /nfs/dbraw/zinc/01/64/09/569016409.db2.gz JWVKQFMCOFEAQP-UHFFFAOYSA-N 1 0 419.522 2.011 50 0 HEAARO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]21 ZINC000015969562 569025184 /nfs/dbraw/zinc/02/51/84/569025184.db2.gz NRMUVLTVWIKAPL-AZXNSQLWSA-N 1 0 403.482 2.306 50 0 biogenic HEAARO O=C(NCC[NH+]1CCCCC1)c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O ZINC000035429337 569036605 /nfs/dbraw/zinc/03/66/05/569036605.db2.gz HTVXSQVDXZDYDA-UHFFFAOYSA-N 1 0 413.497 2.284 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000012999736 569049199 /nfs/dbraw/zinc/04/91/99/569049199.db2.gz FDBUFAGUTINAJS-UHFFFAOYSA-N 1 0 415.559 2.444 50 0 HEAARO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)C2=O ZINC000239672607 569054449 /nfs/dbraw/zinc/05/44/49/569054449.db2.gz BUBQRGONOBVTEE-FSNCLGKMSA-N 1 0 404.555 2.066 50 0 HEAARO C[C@H]([NH2+]C[C@H]([C@@H]1CCOC1)N1CCOCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000241170950 569054727 /nfs/dbraw/zinc/05/47/27/569054727.db2.gz KDBVQFDJKIQBCS-MTQWCTHYSA-N 1 0 411.587 2.491 50 0 HEAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)cc1OC ZINC000036095589 569089908 /nfs/dbraw/zinc/08/99/08/569089908.db2.gz CAINMOMNRPFSGL-LJQANCHMSA-N 1 0 410.555 2.014 50 0 HEAARO COc1ccc(C[N@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102043 569091682 /nfs/dbraw/zinc/09/16/82/569091682.db2.gz JGMAKHVIRNMLNU-HSZRJFAPSA-N 1 0 414.546 2.407 50 0 HEAARO CC1CCN(C(=O)c2cnn3c2n(C)c2c(c3=O)C[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000064836044 569104552 /nfs/dbraw/zinc/10/45/52/569104552.db2.gz XMHHKBFHFXQYLO-UHFFFAOYSA-N 1 0 419.529 2.463 50 0 HEAARO Cn1ncc2c3ccccc3n(CC(=O)NCC[N@H+](C)Cc3ccccc3)c2c1=O ZINC000064839327 569105264 /nfs/dbraw/zinc/10/52/64/569105264.db2.gz FLYOAOFZQZUWHQ-UHFFFAOYSA-N 1 0 403.486 2.136 50 0 HEAARO Cc1onc2c1c(C)nn(CC(=O)NCC[NH+]1CCC(Cc3ccccc3)CC1)c2=O ZINC000064842299 569106942 /nfs/dbraw/zinc/10/69/42/569106942.db2.gz UMARQGQTGLHDFB-UHFFFAOYSA-N 1 0 423.517 2.072 50 0 HEAARO CCCN1C(=O)COc2cc(-c3noc(C(=O)NC[C@@H]4CCC[N@@H+]4CC)n3)ccc21 ZINC000065138023 569183745 /nfs/dbraw/zinc/18/37/45/569183745.db2.gz LIKPIGLSIFGYFQ-HNNXBMFYSA-N 1 0 413.478 2.086 50 0 HEAARO COc1ccc(-n2nc(C(=O)NCC[NH+]3CCCC3)c3ccccc3c2=O)c(OC)c1 ZINC000006950390 569189367 /nfs/dbraw/zinc/18/93/67/569189367.db2.gz NCIDWICWZAQMCW-UHFFFAOYSA-N 1 0 422.485 2.229 50 0 HEAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCN(CCNC(=O)c2cccc3ccccc32)CC1 ZINC000239578987 569235190 /nfs/dbraw/zinc/23/51/90/569235190.db2.gz DDAFNHFXBJEMPI-FQEVSTJZSA-N 1 0 413.562 2.363 50 0 HEAARO COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)CCN3CC[NH+](C)CC3)no2)c1 ZINC000170598026 569242253 /nfs/dbraw/zinc/24/22/53/569242253.db2.gz YHVQHJTWJJLSQZ-HNNXBMFYSA-N 1 0 402.495 2.115 50 0 HEAARO O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000071283002 569252562 /nfs/dbraw/zinc/25/25/62/569252562.db2.gz DJZSKOASQVNHSJ-QGZVFWFLSA-N 1 0 422.957 2.083 50 0 HEAARO COc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCC2)c(OC)c1 ZINC000016944733 569268056 /nfs/dbraw/zinc/26/80/56/569268056.db2.gz YHZGIXSZGJTZQO-UHFFFAOYSA-N 1 0 415.490 2.499 50 0 HEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000017012462 569271561 /nfs/dbraw/zinc/27/15/61/569271561.db2.gz WOFKRMSVHGVNKP-UHFFFAOYSA-N 1 0 414.941 2.153 50 0 HEAARO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000170676685 569297950 /nfs/dbraw/zinc/29/79/50/569297950.db2.gz JHNBCHIJLARUIG-ZDUSSCGKSA-N 1 0 402.322 2.466 50 0 HEAARO CCNC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000037525628 569303881 /nfs/dbraw/zinc/30/38/81/569303881.db2.gz QUWPOHNNNDAOPP-UHFFFAOYSA-N 1 0 401.555 2.141 50 0 HEAARO Nc1c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000007737465 569304868 /nfs/dbraw/zinc/30/48/68/569304868.db2.gz RFVBEXXBFARRII-KRWDZBQOSA-N 1 0 409.490 2.399 50 0 HEAARO CC(=O)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)NC4CCCCC4)CC3)C2)CC1 ZINC000581819720 569320795 /nfs/dbraw/zinc/32/07/95/569320795.db2.gz FAAGIVFQIIAOLS-FQEVSTJZSA-N 1 0 406.571 2.206 50 0 HEAARO COc1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000253381083 569364893 /nfs/dbraw/zinc/36/48/93/569364893.db2.gz CPLYWWPWWQYOHJ-WEARSGHPSA-N 1 0 415.877 2.494 50 0 HEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000253404722 569365817 /nfs/dbraw/zinc/36/58/17/569365817.db2.gz DOCVFDBFTJOYLG-IFMALSPDSA-N 1 0 423.561 2.408 50 0 HEAARO CCCN(CC[NH+](C)C)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000078757346 569420273 /nfs/dbraw/zinc/42/02/73/569420273.db2.gz CKBBSFMUKVMLEZ-UHFFFAOYSA-N 1 0 405.539 2.356 50 0 HEAARO O[C@@H](C[NH+]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)[C@@H]1CCCO1 ZINC000079076623 569427105 /nfs/dbraw/zinc/42/71/05/569427105.db2.gz TVAPYPRYQXODOA-HOTGVXAUSA-N 1 0 423.439 2.219 50 0 HEAARO CCOC(=O)C1C(CN2CCC[N@H+](C)CC2)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286587 571064397 /nfs/dbraw/zinc/06/43/97/571064397.db2.gz GZEPULFLGNGOMV-HXUWFJFHSA-N 1 0 400.523 2.058 50 0 HEAARO CSc1cccc(N2C[C@H](C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000040086625 571157072 /nfs/dbraw/zinc/15/70/72/571157072.db2.gz USNCGMBRXBULGC-IXDOHACOSA-N 1 0 405.564 2.377 50 0 HEAARO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(OC)c2OC)c(OC)c1 ZINC000009375888 571252770 /nfs/dbraw/zinc/25/27/70/571252770.db2.gz UXJURBLTFIKWAG-KRWDZBQOSA-N 1 0 419.474 2.371 50 0 HEAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000071850332 571303513 /nfs/dbraw/zinc/30/35/13/571303513.db2.gz SRIQUYHEPJEBJS-ZWKOTPCHSA-N 1 0 412.534 2.114 50 0 HEAARO O=C(CCC1CCN(S(=O)(=O)c2ccccc2)CC1)NCC[NH+]1CCCCC1 ZINC000581774077 1078748025 /nfs/dbraw/zinc/74/80/25/1078748025.db2.gz IRNNBXBTGVOWCO-UHFFFAOYSA-N 1 0 407.580 2.470 50 0 HEAARO O=C(CN1CCCc2nc(-c3ccccc3)ncc2C1=O)NCCC[NH+]1CCCC1 ZINC000581787396 1078760778 /nfs/dbraw/zinc/76/07/78/1078760778.db2.gz GFDIYODSLVRVAB-UHFFFAOYSA-N 1 0 407.518 2.134 50 0 HEAARO C[C@H]1CCC[N@H+](CCNC(=O)CN2CCCc3nc(-c4ccccc4)ncc3C2=O)C1 ZINC000581787404 1078760814 /nfs/dbraw/zinc/76/08/14/1078760814.db2.gz HBYKGYKULWONCT-SFHVURJKSA-N 1 0 421.545 2.380 50 0 HEAARO COc1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C)CC2)CCO3)cc1OC ZINC000581784282 1078763885 /nfs/dbraw/zinc/76/38/85/1078763885.db2.gz PQHUNPKVRHYIIP-LJQANCHMSA-N 1 0 417.550 2.105 50 0 HEAARO O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)C[C@@H]([NH+]1CCOCC1)CCO2 ZINC000581784014 1078763925 /nfs/dbraw/zinc/76/39/25/1078763925.db2.gz WTOWMPPYQBJDNQ-SFHVURJKSA-N 1 0 412.534 2.368 50 0 HEAARO CC(C)NC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CC[NH+](C(C)C)CC1)CCO2 ZINC000581786336 1078766102 /nfs/dbraw/zinc/76/61/02/1078766102.db2.gz SLCRHYMPNWWSKL-IBGZPJMESA-N 1 0 408.587 2.308 50 0 HEAARO CCNC(=O)N1CCOc2ccc(CCC(=O)N3CC[NH+](CC(C)C)CC3)cc2C1 ZINC000581799884 1078769953 /nfs/dbraw/zinc/76/99/53/1078769953.db2.gz GGVVHUHRTRSWBR-UHFFFAOYSA-N 1 0 416.566 2.343 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000009620713 132341784 /nfs/dbraw/zinc/34/17/84/132341784.db2.gz JZZPFCNJOSXXKW-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000011771340 132350336 /nfs/dbraw/zinc/35/03/36/132350336.db2.gz OEFKXNFRXARCSI-XMMPIXPASA-N 1 0 408.546 2.190 50 0 HEAARO COCc1ccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)o1 ZINC000012436176 132359924 /nfs/dbraw/zinc/35/99/24/132359924.db2.gz YVEDHVGDWFJARY-FGZHOGPDSA-N 1 0 403.498 2.323 50 0 HEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000012719032 132366212 /nfs/dbraw/zinc/36/62/12/132366212.db2.gz YQEACOUVNGXZHQ-FQEVSTJZSA-N 1 0 408.550 2.294 50 0 HEAARO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000012792352 132449159 /nfs/dbraw/zinc/44/91/59/132449159.db2.gz MTOCTDRLAPOAPL-AWEZNQCLSA-N 1 0 401.898 2.244 50 0 HEAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000032830680 521568171 /nfs/dbraw/zinc/56/81/71/521568171.db2.gz INQYBQIKAORRJZ-HZPDHXFCSA-N 1 0 417.579 2.445 50 0 HEAARO CC[NH+]1CCC(N2CCO[C@]3(C2)COCCN(C(=O)c2ccccc2C)C3)CC1 ZINC000072133424 521569707 /nfs/dbraw/zinc/56/97/07/521569707.db2.gz OMLVYMOJVALPQV-QHCPKHFHSA-N 1 0 401.551 2.023 50 0 HEAARO CN1CC[NH+]([C@@H]2CCN(C(=O)c3cc(C(F)(F)F)ccc3Cl)C[C@H]2O)CC1 ZINC000020599639 523918086 /nfs/dbraw/zinc/91/80/86/523918086.db2.gz BTVLAHBXWPVWNJ-HZPDHXFCSA-N 1 0 405.848 2.182 50 0 HEAARO CSCCC(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020599573 525370633 /nfs/dbraw/zinc/37/06/33/525370633.db2.gz VXTZJFQAHXUERN-SFHVURJKSA-N 1 0 405.564 2.277 50 0 HEAARO Cc1cccn2c(C[N@H+](C)C[C@H](O)c3ccccc3)c(C(=O)N3CCOCC3)nc12 ZINC000020535723 525464854 /nfs/dbraw/zinc/46/48/54/525464854.db2.gz BZFMGSJOYUBNKT-FQEVSTJZSA-N 1 0 408.502 2.281 50 0 HEAARO Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000040283732 527425184 /nfs/dbraw/zinc/42/51/84/527425184.db2.gz LWQSQXVNJALOBM-UHFFFAOYSA-N 1 0 411.506 2.015 50 0 HEAARO C[NH+]1CCN(c2nc3nnnn3c3sc4c(c32)CCN(Cc2ccccc2)C4)CC1 ZINC000002330068 536425501 /nfs/dbraw/zinc/42/55/01/536425501.db2.gz PIXOHQKBZAHKAO-UHFFFAOYSA-N 1 0 420.546 2.044 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)c1cc2n(n1)CCN(Cc1ccc(Cl)cc1)C2=O ZINC000034810893 557464039 /nfs/dbraw/zinc/46/40/39/557464039.db2.gz FCCBDNCQKPTOQT-UHFFFAOYSA-N 1 0 415.925 2.408 50 0 HEAARO COc1cccc(-c2ccc3nc(C(=O)N4CCN(CC[NH+](C)C)CC4)cn3c2)c1 ZINC000034831050 557466367 /nfs/dbraw/zinc/46/63/67/557466367.db2.gz INDOYHOPSVOFDS-UHFFFAOYSA-N 1 0 407.518 2.329 50 0 HEAARO O[C@H](C[NH2+]C[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000003951631 557503410 /nfs/dbraw/zinc/50/34/10/557503410.db2.gz KOHIRBRYDXPAMZ-YHBROIRLSA-N 1 0 405.441 2.364 50 0 in-vitro HEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1 ZINC000022682536 557766822 /nfs/dbraw/zinc/76/68/22/557766822.db2.gz KNMYVSLGRAAVRE-INIZCTEOSA-N 1 0 413.540 2.012 50 0 HEAARO Cc1cn2c3c(nc2n1CCC[NH+](C)C)n(C)c(=O)n(C/C=C/c1ccccc1)c3=O ZINC000009059806 557821188 /nfs/dbraw/zinc/82/11/88/557821188.db2.gz KMPNIBMIFUHCFX-XYOKQWHBSA-N 1 0 420.517 2.123 50 0 HEAARO C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000022778680 557821335 /nfs/dbraw/zinc/82/13/35/557821335.db2.gz YXXZAANTXFBFKZ-UTKZUKDTSA-N 1 0 412.509 2.108 50 0 HEAARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796092 557822858 /nfs/dbraw/zinc/82/28/58/557822858.db2.gz NJPJMZQJTUEDBM-OAQYLSRUSA-N 1 0 412.509 2.432 50 0 HEAARO COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cc(Br)c1OCC(N)=O ZINC000009446835 557843353 /nfs/dbraw/zinc/84/33/53/557843353.db2.gz GYILJIMELGVMFX-UHFFFAOYSA-N 1 0 423.263 2.340 50 0 HEAARO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000010450088 558257616 /nfs/dbraw/zinc/25/76/16/558257616.db2.gz RFQAFWLXROSCMD-UHFFFAOYSA-N 1 0 408.351 2.362 50 0 HEAARO CCC[NH+]1CCC(NC(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000011873879 558291537 /nfs/dbraw/zinc/29/15/37/558291537.db2.gz QDHMLVGBGUJMPY-UHFFFAOYSA-N 1 0 417.550 2.307 50 0 HEAARO Cc1c(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000019839384 558293713 /nfs/dbraw/zinc/29/37/13/558293713.db2.gz MKQIRPYCIAOCBR-NRFANRHFSA-N 1 0 400.567 2.399 50 0 HEAARO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccccc1OC)CC2 ZINC000011880158 558294796 /nfs/dbraw/zinc/29/47/96/558294796.db2.gz ZQZIHHGEYMPDHS-GOSISDBHSA-N 1 0 415.538 2.195 50 0 HEAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc(OC)c(C)c3OC)CC2)O1 ZINC000011882464 558295535 /nfs/dbraw/zinc/29/55/35/558295535.db2.gz JICRJDMHGXLGHC-SFHVURJKSA-N 1 0 406.523 2.288 50 0 HEAARO O=C(c1ccc(F)cc1)N1CCC([NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019877393 558299983 /nfs/dbraw/zinc/29/99/83/558299983.db2.gz AEORPUMGHKMWSD-IBGZPJMESA-N 1 0 413.424 2.491 50 0 HEAARO O=C(COc1ccccc1)NCCc1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000012035560 558311924 /nfs/dbraw/zinc/31/19/24/558311924.db2.gz IGSRBSHVGCYBRQ-UHFFFAOYSA-N 1 0 423.492 2.213 50 0 HEAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CC[NH+](CC)CC1 ZINC000020028750 558323160 /nfs/dbraw/zinc/32/31/60/558323160.db2.gz SVCICTNIEJTBNL-AWEZNQCLSA-N 1 0 402.495 2.318 50 0 HEAARO COCCNc1nc2nonc2nc1NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000012207136 558353120 /nfs/dbraw/zinc/35/31/20/558353120.db2.gz RVRNAWGAPYFFKJ-HNNXBMFYSA-N 1 0 401.446 2.459 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)s1 ZINC000020326016 558355551 /nfs/dbraw/zinc/35/55/51/558355551.db2.gz ZIJBJRBLGGDNDY-OAHLLOKOSA-N 1 0 403.552 2.310 50 0 HEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)CN1CCCC1=O ZINC000012297738 558367998 /nfs/dbraw/zinc/36/79/98/558367998.db2.gz GNVFGZSUNAYYDC-FQEVSTJZSA-N 1 0 401.551 2.421 50 0 HEAARO CCOC[C@@H](O)C[NH2+]Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000012306982 558375607 /nfs/dbraw/zinc/37/56/07/558375607.db2.gz IHLUTILRYKFQSZ-KRWDZBQOSA-N 1 0 416.547 2.198 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)NC(=O)N[C@H]1c1ccccc1Cl ZINC000020654227 558397893 /nfs/dbraw/zinc/39/78/93/558397893.db2.gz YDPLDERQMDGTAR-SFHVURJKSA-N 1 0 406.914 2.149 50 0 HEAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1C ZINC000012431751 558406129 /nfs/dbraw/zinc/40/61/29/558406129.db2.gz DPISDVKUWOCFRX-KRWDZBQOSA-N 1 0 406.494 2.228 50 0 HEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000012439893 558411333 /nfs/dbraw/zinc/41/13/33/558411333.db2.gz NKHIOLJBGQWNFV-KRWDZBQOSA-N 1 0 424.501 2.497 50 0 HEAARO CCS(=O)(=O)c1ncc(CN(C)C[C@H]2CCC[N@@H+]2C)n1CCc1ccccc1 ZINC000020784305 558413474 /nfs/dbraw/zinc/41/34/74/558413474.db2.gz QLGGTUSEOCKGRS-LJQANCHMSA-N 1 0 404.580 2.445 50 0 HEAARO COc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020783829 558413519 /nfs/dbraw/zinc/41/35/19/558413519.db2.gz SGGYUNDUVJADJR-NRFANRHFSA-N 1 0 418.509 2.239 50 0 HEAARO CCCCNC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000012448831 558415639 /nfs/dbraw/zinc/41/56/39/558415639.db2.gz FZOOGUOUZAWEPY-LJQANCHMSA-N 1 0 401.555 2.384 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020999895 558428211 /nfs/dbraw/zinc/42/82/11/558428211.db2.gz FNRGOXVFBOCRON-QGZVFWFLSA-N 1 0 409.490 2.494 50 0 HEAARO CCCCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C[C@@H]2CCCO2)cc1 ZINC000021534819 558440912 /nfs/dbraw/zinc/44/09/12/558440912.db2.gz JWGOWXHGSSSJRH-NRFANRHFSA-N 1 0 417.550 2.309 50 0 HEAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1 ZINC000012718933 558456475 /nfs/dbraw/zinc/45/64/75/558456475.db2.gz OIPWSGZBIHOUHY-LJQANCHMSA-N 1 0 411.546 2.219 50 0 HEAARO C[NH+](C)CCCN(C(=O)CN1C(=O)CCC1=O)c1nc2ccc(Cl)cc2s1 ZINC000004359656 558456794 /nfs/dbraw/zinc/45/67/94/558456794.db2.gz AKCMGCMENOIAQQ-UHFFFAOYSA-N 1 0 408.911 2.383 50 0 HEAARO COc1ccc(OC)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000022851207 558516878 /nfs/dbraw/zinc/51/68/78/558516878.db2.gz JAWCTOPJTAVLMX-NRFANRHFSA-N 1 0 405.583 2.445 50 0 HEAARO CC(C)S(=O)(=O)c1ncc(CN2CC[C@H]([NH+](C)C)C2)n1CCc1ccccc1 ZINC000022913312 558520253 /nfs/dbraw/zinc/52/02/53/558520253.db2.gz VFKAGZOYKYQYEY-IBGZPJMESA-N 1 0 404.580 2.444 50 0 HEAARO CC[NH+](CC)CCN(C)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1 ZINC000023128924 558536644 /nfs/dbraw/zinc/53/66/44/558536644.db2.gz NKLREDNYERYIGP-LJQANCHMSA-N 1 0 419.614 2.142 50 0 HEAARO CC[NH+](CC)[C@@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000023197491 558542160 /nfs/dbraw/zinc/54/21/60/558542160.db2.gz LVUFCHRRPUYABV-LJQANCHMSA-N 1 0 411.502 2.214 50 0 HEAARO c1cnn(CCC[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000023374523 558554089 /nfs/dbraw/zinc/55/40/89/558554089.db2.gz JFEPOOICANOCSS-NRFANRHFSA-N 1 0 411.550 2.284 50 0 HEAARO Cc1cc(C(=O)N2CCC(Cn3cc(CN4CC[C@@H]([NH3+])C4)nn3)CC2)sc1C ZINC000023506985 558560494 /nfs/dbraw/zinc/56/04/94/558560494.db2.gz XPPBIYDCOURLKA-QGZVFWFLSA-N 1 0 402.568 2.042 50 0 HEAARO CCOC(=O)C1=C(C[NH+](CC)CC)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1 ZINC000013960832 558608767 /nfs/dbraw/zinc/60/87/67/558608767.db2.gz WXWKSULAGSVHDH-IBGZPJMESA-N 1 0 405.495 2.355 50 0 HEAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccsc1 ZINC000025329116 558638210 /nfs/dbraw/zinc/63/82/10/558638210.db2.gz JNGPFHZANKXHDS-DOTOQJQBSA-N 1 0 415.515 2.291 50 0 HEAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000014254364 558650979 /nfs/dbraw/zinc/65/09/79/558650979.db2.gz NXGKBVXLNNNIOJ-AWEZNQCLSA-N 1 0 419.503 2.091 50 0 HEAARO O=C1N[C@@H](COCc2ccccc2)C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000014532973 558656800 /nfs/dbraw/zinc/65/68/00/558656800.db2.gz AOLDMZKDZJYSHZ-UFYCRDLUSA-N 1 0 413.905 2.114 50 0 HEAARO O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc(O)cc2)C1 ZINC000014534542 558657645 /nfs/dbraw/zinc/65/76/45/558657645.db2.gz LFQONOWKCKXBRU-KCZVDYSFSA-N 1 0 401.551 2.221 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+]([C@@H](C)COC)CC2 ZINC000014543074 558660741 /nfs/dbraw/zinc/66/07/41/558660741.db2.gz NFXVCYIFUCVVJU-SFHVURJKSA-N 1 0 403.523 2.357 50 0 HEAARO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1 ZINC000014741078 558666835 /nfs/dbraw/zinc/66/68/35/558666835.db2.gz YCIDCYNCRNMWRO-HSQYWUDLSA-N 1 0 420.488 2.416 50 0 HEAARO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)c(F)c3)C[C@@H]12 ZINC000014746960 558669319 /nfs/dbraw/zinc/66/93/19/558669319.db2.gz GGLPIQKDLMLFOZ-JHVJFLLYSA-N 1 0 424.451 2.246 50 0 HEAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000014947737 558679988 /nfs/dbraw/zinc/67/99/88/558679988.db2.gz AXIUQBMGLJSAEY-KRWDZBQOSA-N 1 0 410.478 2.391 50 0 HEAARO Cc1cccc(N2CC[NH+](C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)CC2)n1 ZINC000014980849 558691370 /nfs/dbraw/zinc/69/13/70/558691370.db2.gz LOAUYXLMVPSBLQ-DEOSSOPVSA-N 1 0 408.546 2.108 50 0 HEAARO COc1cccc(CN2CCC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000015064053 558706647 /nfs/dbraw/zinc/70/66/47/558706647.db2.gz GDTOOVOFJCXQAJ-DEOSSOPVSA-N 1 0 409.530 2.371 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)CC1 ZINC000022937561 558725780 /nfs/dbraw/zinc/72/57/80/558725780.db2.gz OFAYKDGGODNERR-QGZVFWFLSA-N 1 0 416.595 2.052 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000015671250 558748289 /nfs/dbraw/zinc/74/82/89/558748289.db2.gz LYBZYFIAASMYBP-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000033326764 558766990 /nfs/dbraw/zinc/76/69/90/558766990.db2.gz JERRXUGMRLSUQU-UHFFFAOYSA-N 1 0 400.483 2.222 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022148 558767792 /nfs/dbraw/zinc/76/77/92/558767792.db2.gz MURBGNLIIHCKGI-QOIOWGMHSA-N 1 0 405.495 2.099 50 0 HEAARO C[C@H]1[NH2+][C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000016022219 558768177 /nfs/dbraw/zinc/76/81/77/558768177.db2.gz SXVOGORCJGPMFL-NKALOTHLSA-N 1 0 409.873 2.323 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016025135 558768843 /nfs/dbraw/zinc/76/88/43/558768843.db2.gz LRBIMRVFMWSMMB-UOKDPKOQSA-N 1 0 419.481 2.154 50 0 HEAARO O=C(COCc1nnc(C(=O)Nc2ccccc2)s1)NCCC[NH+]1CCCCC1 ZINC000032987678 558807467 /nfs/dbraw/zinc/80/74/67/558807467.db2.gz HYJWHFNSHDFOIP-UHFFFAOYSA-N 1 0 417.535 2.299 50 0 HEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000032987682 558807606 /nfs/dbraw/zinc/80/76/06/558807606.db2.gz TTYZVUUQCOFAPW-HNNXBMFYSA-N 1 0 417.535 2.298 50 0 HEAARO CCOC[C@@H](O)CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000039447152 558821494 /nfs/dbraw/zinc/82/14/94/558821494.db2.gz VHONDFGTBUWILR-FQEVSTJZSA-N 1 0 413.518 2.252 50 0 HEAARO CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)CC1(CC(=O)OC)CC1 ZINC000072313162 558838322 /nfs/dbraw/zinc/83/83/22/558838322.db2.gz XSDBLBHZQQMTGQ-UHFFFAOYSA-N 1 0 412.552 2.170 50 0 HEAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2-c2nn3c(C)csc3nc2=O)C1 ZINC000055227542 558876858 /nfs/dbraw/zinc/87/68/58/558876858.db2.gz DDIDTJAGIHVZAB-CQSZACIVSA-N 1 0 413.503 2.033 50 0 HEAARO CN(CC(=O)NCCC[N@H+](C)C1CCCCC1)c1nnc(N2CCCCC2=O)s1 ZINC000033048547 558885977 /nfs/dbraw/zinc/88/59/77/558885977.db2.gz DYMKJIRIWRPKTD-UHFFFAOYSA-N 1 0 422.599 2.262 50 0 HEAARO COc1cc(C(=O)NCCC(=O)NCCC[NH+]2CCCCCC2)cc(OC)c1OC ZINC000004675653 558888375 /nfs/dbraw/zinc/88/83/75/558888375.db2.gz WVSBAVHYZPJFOR-UHFFFAOYSA-N 1 0 421.538 2.215 50 0 HEAARO Cc1cnc(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071416333 558897644 /nfs/dbraw/zinc/89/76/44/558897644.db2.gz GIIHFZVQSISRON-FQEVSTJZSA-N 1 0 408.550 2.486 50 0 HEAARO CSc1ncc(Cl)c(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)n1 ZINC000058101268 558898911 /nfs/dbraw/zinc/89/89/11/558898911.db2.gz ZTOMAPMQPORFQD-UHFFFAOYSA-N 1 0 406.943 2.319 50 0 HEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)o1 ZINC000058129107 558900206 /nfs/dbraw/zinc/90/02/06/558900206.db2.gz ZYUKBYAKYUQASH-UHFFFAOYSA-N 1 0 423.535 2.478 50 0 HEAARO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000071754813 558909639 /nfs/dbraw/zinc/90/96/39/558909639.db2.gz BEZWJIHSXQTOAK-HNNXBMFYSA-N 1 0 417.959 2.104 50 0 HEAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cnn(Cc4ccccc4)c3)cn2)CC1 ZINC000058184282 558910403 /nfs/dbraw/zinc/91/04/03/558910403.db2.gz PUEOZJNEAOJDRK-UHFFFAOYSA-N 1 0 404.518 2.398 50 0 HEAARO COc1ccc(C2=NN(CC(=O)NCC[N@H+]3[C@H](C)CCC[C@@H]3C)C(=O)CC2)cc1 ZINC000004712521 558917838 /nfs/dbraw/zinc/91/78/38/558917838.db2.gz ZCXVXWVTJZRFLG-CALCHBBNSA-N 1 0 400.523 2.401 50 0 HEAARO CC(=O)N1CCc2cc(C(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)ccc21 ZINC000058393806 558924010 /nfs/dbraw/zinc/92/40/10/558924010.db2.gz FENCMALKCNAACJ-UHFFFAOYSA-N 1 0 407.518 2.063 50 0 HEAARO C[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc(-c2cnn(CCO)c2)nc2ccc(F)cc21 ZINC000063871044 558960543 /nfs/dbraw/zinc/96/05/43/558960543.db2.gz GNFFAJZYQXPKGG-OAHLLOKOSA-N 1 0 411.481 2.396 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065362613 558973363 /nfs/dbraw/zinc/97/33/63/558973363.db2.gz PQLGUQLLEQVVIK-UHFFFAOYSA-N 1 0 401.536 2.286 50 0 HEAARO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000065364606 558975781 /nfs/dbraw/zinc/97/57/81/558975781.db2.gz JFNHHMBJLQJGIY-MRXNPFEDSA-N 1 0 405.923 2.234 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065365706 558976541 /nfs/dbraw/zinc/97/65/41/558976541.db2.gz PGVMCNXUIOENLE-UHFFFAOYSA-N 1 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ZINC000023127443 559015839 /nfs/dbraw/zinc/01/58/39/559015839.db2.gz IRBIFIMOEOQBLM-UHFFFAOYSA-N 1 0 409.486 2.440 50 0 HEAARO Cc1cnn(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000082092005 559037087 /nfs/dbraw/zinc/03/70/87/559037087.db2.gz LOTQCNDKXSRZIG-NRFANRHFSA-N 1 0 410.566 2.079 50 0 HEAARO CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082106950 559038275 /nfs/dbraw/zinc/03/82/75/559038275.db2.gz TYSPHVSLJCVNKE-FQEVSTJZSA-N 1 0 402.583 2.235 50 0 HEAARO Cc1cnc(C)c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082108471 559038611 /nfs/dbraw/zinc/03/86/11/559038611.db2.gz LOEWUMSHXAXEEI-IBGZPJMESA-N 1 0 408.550 2.486 50 0 HEAARO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082125933 559039690 /nfs/dbraw/zinc/03/96/90/559039690.db2.gz AGEOCZKKJFOZDF-KRWDZBQOSA-N 1 0 413.547 2.171 50 0 HEAARO CN(CC(C)(C)CO)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082138276 559040456 /nfs/dbraw/zinc/04/04/56/559040456.db2.gz HDIDKXNHGLQFQC-FQEVSTJZSA-N 1 0 402.583 2.235 50 0 HEAARO Cc1cc(C)nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082147429 559040844 /nfs/dbraw/zinc/04/08/44/559040844.db2.gz WPZKUTQYKYRMNA-FQEVSTJZSA-N 1 0 408.550 2.486 50 0 HEAARO Cn1cccc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082167474 559042174 /nfs/dbraw/zinc/04/21/74/559042174.db2.gz QYFOZFFUAKKOFS-SFHVURJKSA-N 1 0 409.534 2.053 50 0 HEAARO CCCCCn1c(=O)[nH]c2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)ccc2c1=O ZINC000004791753 559065579 /nfs/dbraw/zinc/06/55/79/559065579.db2.gz FHTGUCTVOSDWFN-INIZCTEOSA-N 1 0 400.523 2.484 50 0 HEAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CNC(N)=O ZINC000095496581 559081500 /nfs/dbraw/zinc/08/15/00/559081500.db2.gz AZUPSFOTPRAABO-HNNXBMFYSA-N 1 0 400.445 2.087 50 0 HEAARO Cc1ncc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(=O)[nH]1 ZINC000095500113 559082090 /nfs/dbraw/zinc/08/20/90/559082090.db2.gz YPPKWJWTRDPCAB-LJQANCHMSA-N 1 0 402.539 2.354 50 0 HEAARO O=C1C[C@H]([NH2+]C2CCN(c3ccc(Cl)nn3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000101163759 559143672 /nfs/dbraw/zinc/14/36/72/559143672.db2.gz RCUVCDVVGNIPIR-HNNXBMFYSA-N 1 0 403.845 2.160 50 0 HEAARO COc1ccccc1CNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000084460321 559150791 /nfs/dbraw/zinc/15/07/91/559150791.db2.gz COFHDYXNRIXPGR-NRFANRHFSA-N 1 0 407.514 2.265 50 0 HEAARO C[NH+](C)CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 ZINC000004941765 559213141 /nfs/dbraw/zinc/21/31/41/559213141.db2.gz YWNRGADDECVQRF-UHFFFAOYSA-N 1 0 407.927 2.279 50 0 HEAARO O=C(CNC(=O)c1ccc(Br)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000046575593 559258480 /nfs/dbraw/zinc/25/84/80/559258480.db2.gz IATWHGWXPGPQMM-UHFFFAOYSA-N 1 0 416.319 2.353 50 0 HEAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CNS(C)(=O)=O)C3)C2)cc1 ZINC000426436545 559271602 /nfs/dbraw/zinc/27/16/02/559271602.db2.gz KUNSOCNJFCUNTJ-OAQYLSRUSA-N 1 0 407.580 2.174 50 0 HEAARO Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000005347325 560570694 /nfs/dbraw/zinc/57/06/94/560570694.db2.gz PKIAUCRJEVBZGX-UHFFFAOYSA-N 1 0 423.546 2.453 50 0 HEAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000062581721 560632098 /nfs/dbraw/zinc/63/20/98/560632098.db2.gz DIMZZKBXXKBDTL-QZTJIDSGSA-N 1 0 407.518 2.411 50 0 HEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)C[C@H]1NC(=O)N(Cc2ccccc2)C1=O ZINC000409415196 560723457 /nfs/dbraw/zinc/72/34/57/560723457.db2.gz WKZMPKKUEWVKAY-ZCNNSNEGSA-N 1 0 412.534 2.220 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000024443769 560819787 /nfs/dbraw/zinc/81/97/87/560819787.db2.gz UYAMNWDMXWUSSK-HXUWFJFHSA-N 1 0 401.532 2.179 50 0 HEAARO COCCn1nc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1=O ZINC000048361903 568441602 /nfs/dbraw/zinc/44/16/02/568441602.db2.gz HDRUINQILHTEDG-QZTJIDSGSA-N 1 0 412.534 2.298 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)CC1 ZINC000020466108 568610329 /nfs/dbraw/zinc/61/03/29/568610329.db2.gz YWWPYKCJOQGVEY-LJQANCHMSA-N 1 0 416.566 2.033 50 0 HEAARO CN(CCC[N@H+](C)CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)Cc1ccccc1 ZINC000020760761 568642189 /nfs/dbraw/zinc/64/21/89/568642189.db2.gz ZPFGJOKOZSQUIZ-UHFFFAOYSA-N 1 0 421.545 2.497 50 0 biogenic HEAARO COc1ccc(S(=O)(=O)N2CC([NH2+][C@@H](C)CCc3ccc4c(c3)OCO4)C2)cc1 ZINC000095945437 568663422 /nfs/dbraw/zinc/66/34/22/568663422.db2.gz YSKPLRIQNHBEOH-HNNXBMFYSA-N 1 0 418.515 2.408 50 0 HEAARO Cn1nnc(-c2ccc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000096231929 568707655 /nfs/dbraw/zinc/70/76/55/568707655.db2.gz LDHOWEWQHXMLAP-UHFFFAOYSA-N 1 0 406.490 2.037 50 0 HEAARO COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cn(C)c2ccccc12)[NH+](C)C ZINC000021698335 568741212 /nfs/dbraw/zinc/74/12/12/568741212.db2.gz OFZRTDTUKKZZLR-FQEVSTJZSA-N 1 0 408.502 2.222 50 0 HEAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579376 568770442 /nfs/dbraw/zinc/77/04/42/568770442.db2.gz NGIMGZOCQBBSQU-NRFANRHFSA-N 1 0 403.548 2.271 50 0 HEAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cc3ccccc3[nH]c2=O)N1)OCCCO4 ZINC000012552477 568854371 /nfs/dbraw/zinc/85/43/71/568854371.db2.gz MDSBCFYNHNUERI-GOSISDBHSA-N 1 0 402.414 2.135 50 0 HEAARO COC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731168 568859166 /nfs/dbraw/zinc/85/91/66/568859166.db2.gz SYUGNINXMYINRI-LJQANCHMSA-N 1 0 403.479 2.407 50 0 HEAARO COc1ccc(OC)c(N2C[C@H](C(=O)NC[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1 ZINC000230472429 568861973 /nfs/dbraw/zinc/86/19/73/568861973.db2.gz FWRCJYBVEAARJG-ZHALLVOQSA-N 1 0 415.534 2.437 50 0 biogenic HEAARO C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000012613804 568871909 /nfs/dbraw/zinc/87/19/09/568871909.db2.gz BIQHLDYPEXLCBQ-UHFFFAOYSA-N 1 0 409.534 2.499 50 0 HEAARO Cc1nc2ccc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@H+](C4)CC5)cc2o1 ZINC000670445973 568909372 /nfs/dbraw/zinc/90/93/72/568909372.db2.gz WMTLCGKCZJWBFR-IGSLEHJCSA-N 1 0 402.498 2.434 50 0 HEAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[NH+](C)C)[C@H]1c1ccc(F)cc1 ZINC000003657267 568923095 /nfs/dbraw/zinc/92/30/95/568923095.db2.gz AQSGOOFHJWXOPI-LEWJYISDSA-N 1 0 413.493 2.431 50 0 HEAARO C[NH+](C)CCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000004305644 568960290 /nfs/dbraw/zinc/96/02/90/568960290.db2.gz ILAGISOMWLFICY-SFHVURJKSA-N 1 0 400.548 2.036 50 0 HEAARO C[C@@H](CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000015864253 569016446 /nfs/dbraw/zinc/01/64/46/569016446.db2.gz HYGTZSIXNLWEEI-KRWDZBQOSA-N 1 0 419.522 2.052 50 0 HEAARO O=C(/C=C/c1ccccc1)N1CCC(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000032987897 569047921 /nfs/dbraw/zinc/04/79/21/569047921.db2.gz SAXFXRLTODRJIS-UVIRAJKCSA-N 1 0 411.546 2.262 50 0 HEAARO COc1ccc([C@H](CNC(=O)CSc2nnnn2C2CC2)[NH+]2CCCCC2)cc1 ZINC000013021570 569051196 /nfs/dbraw/zinc/05/11/96/569051196.db2.gz FAQXUJIQRKWHMB-SFHVURJKSA-N 1 0 416.551 2.452 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991671 569074699 /nfs/dbraw/zinc/07/46/99/569074699.db2.gz GMSLMMAZBMXEGZ-HXUWFJFHSA-N 1 0 400.523 2.146 50 0 HEAARO CC[NH+]1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccc(OC)cc4)n3)c(C)n2)CC1 ZINC000036235712 569115400 /nfs/dbraw/zinc/11/54/00/569115400.db2.gz JDAXNESOZMPMAO-UHFFFAOYSA-N 1 0 421.505 2.429 50 0 HEAARO Cc1nn(CC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c(=O)c2cccn21 ZINC000006799613 569126565 /nfs/dbraw/zinc/12/65/65/569126565.db2.gz VBZONKUEKCCOEI-UHFFFAOYSA-N 1 0 421.545 2.265 50 0 HEAARO CCc1nc2c(c(=O)n1CC(=O)NCc1ccco1)C[N@H+](Cc1ccccc1)CC2 ZINC000065153497 569187487 /nfs/dbraw/zinc/18/74/87/569187487.db2.gz PMXNOWXKGIUQIV-UHFFFAOYSA-N 1 0 406.486 2.273 50 0 HEAARO C[N@@H+]1CCCN(C(=O)c2cn(-c3ccc(-c4nc(C(C)(C)C)no4)cn3)cn2)CC1 ZINC000065251155 569206540 /nfs/dbraw/zinc/20/65/40/569206540.db2.gz VEAMQIHTDPDKON-UHFFFAOYSA-N 1 0 409.494 2.393 50 0 HEAARO Cc1cccc(-c2nc(SCC[NH+]3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 ZINC000007392532 569236358 /nfs/dbraw/zinc/23/63/58/569236358.db2.gz JPWQLWRCUHVIRK-UHFFFAOYSA-N 1 0 411.531 2.191 50 0 HEAARO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000170611981 569245665 /nfs/dbraw/zinc/24/56/65/569245665.db2.gz JUFMBJMSNVFPBI-UHFFFAOYSA-N 1 0 400.520 2.320 50 0 HEAARO O=C(NC[C@H](O)c1ccccc1F)[C@H]1CCC[N@@H+]1C1CCN(CC(F)(F)F)CC1 ZINC000089813228 569266396 /nfs/dbraw/zinc/26/63/96/569266396.db2.gz KHDCPGCENDOWTC-MSOLQXFVSA-N 1 0 417.447 2.466 50 0 HEAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCC[C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000089929976 569268876 /nfs/dbraw/zinc/26/88/76/569268876.db2.gz YIMABFFZIMMNCW-JOCHJYFZSA-N 1 0 400.523 2.303 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000017012199 569271341 /nfs/dbraw/zinc/27/13/41/569271341.db2.gz KCPGWPXZSGWYTR-UHFFFAOYSA-N 1 0 419.888 2.377 50 0 HEAARO CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCCCC[C@H]2c2ccc(OC)cc2)C1=O ZINC000252444235 569286053 /nfs/dbraw/zinc/28/60/53/569286053.db2.gz XLPSUYCEWKLVBZ-LAUBAEHRSA-N 1 0 402.495 2.364 50 0 HEAARO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506600 569291326 /nfs/dbraw/zinc/29/13/26/569291326.db2.gz WBKXAKZXEATMAC-SQNIBIBYSA-N 1 0 423.554 2.308 50 0 HEAARO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252570585 569294340 /nfs/dbraw/zinc/29/43/40/569294340.db2.gz WVJJWTZEDHNRFR-SZMVWBNQSA-N 1 0 402.495 2.065 50 0 HEAARO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007718217 569302043 /nfs/dbraw/zinc/30/20/43/569302043.db2.gz QEWJQVOQUWXNMW-KRWDZBQOSA-N 1 0 401.532 2.266 50 0 HEAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(CC(C)C)CC2)CCO3)n1 ZINC000581819770 569320697 /nfs/dbraw/zinc/32/06/97/569320697.db2.gz JXPHDDGIOPPHEE-FQEVSTJZSA-N 1 0 417.598 2.330 50 0 HEAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)c1ccc2c(c1)CCCC2 ZINC000054887303 569325272 /nfs/dbraw/zinc/32/52/72/569325272.db2.gz KYGDFRZXJUQQBF-GCJKJVERSA-N 1 0 413.562 2.313 50 0 HEAARO CCC[NH+]1CCN(C(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)CC1 ZINC000011841836 569356997 /nfs/dbraw/zinc/35/69/97/569356997.db2.gz NCNICGXDQXPCPI-QFIPXVFZSA-N 1 0 405.514 2.360 50 0 HEAARO CCOC(=O)C1=C(C[NH+]2CCCCCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979059 569372972 /nfs/dbraw/zinc/37/29/72/569372972.db2.gz DAEUMICVFIDSQQ-IBGZPJMESA-N 1 0 401.463 2.462 50 0 HEAARO C[C@@H]1C[N@@H+](CCCCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)C[C@H](C)O1 ZINC000079064317 569426359 /nfs/dbraw/zinc/42/63/59/569426359.db2.gz NOPHDCGSYIYBMG-HDICACEKSA-N 1 0 413.522 2.303 50 0 HEAARO Cn1ccc2c1cccc2C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000670473491 571101919 /nfs/dbraw/zinc/10/19/19/571101919.db2.gz HKFIASCYGVXGFG-ZOQSAPLSSA-N 1 0 400.526 2.476 50 0 HEAARO CS(=O)(=O)N1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000040092327 571161471 /nfs/dbraw/zinc/16/14/71/571161471.db2.gz AMVZFLPUIJXYAG-INIZCTEOSA-N 1 0 413.971 2.092 50 0 HEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000040115665 571173422 /nfs/dbraw/zinc/17/34/22/571173422.db2.gz VWFZGQPRVSSQIJ-UHFFFAOYSA-N 1 0 415.559 2.158 50 0 HEAARO COC(=O)N(C)CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040120946 571176933 /nfs/dbraw/zinc/17/69/33/571176933.db2.gz ZALUUIITYXPWHM-UHFFFAOYSA-N 1 0 416.444 2.032 50 0 HEAARO COc1ccc([C@H](CNC(=O)Cn2cnc3sccc3c2=O)[NH+]2CCCC2)cc1 ZINC000009054268 571216697 /nfs/dbraw/zinc/21/66/97/571216697.db2.gz RUQBBDGPKNQSDX-SFHVURJKSA-N 1 0 412.515 2.420 50 0 HEAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000022936541 571315399 /nfs/dbraw/zinc/31/53/99/571315399.db2.gz SPSOBYQJUQWCLI-UHFFFAOYSA-N 1 0 406.534 2.257 50 0 HEAARO CCNC(=O)N1CCC[C@H]1c1noc(CCC(=O)N2CC[NH+](C(CC)CC)CC2)n1 ZINC000581785643 1078764886 /nfs/dbraw/zinc/76/48/86/1078764886.db2.gz KHDZMHQHEMWANO-KRWDZBQOSA-N 1 0 420.558 2.201 50 0 HEAARO C[N@@H+]1CC2(C[C@H]1CN1CCOCC1)CCN(C(=O)c1ccc3ncccc3c1)CC2 ZINC000581802379 1078771904 /nfs/dbraw/zinc/77/19/04/1078771904.db2.gz HCHDQRXXVPCXSE-NRFANRHFSA-N 1 0 408.546 2.494 50 0 HEAARO CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000010940479 132346828 /nfs/dbraw/zinc/34/68/28/132346828.db2.gz ZCNPXDMFVCOIQU-UHFFFAOYSA-N 1 0 413.547 2.497 50 0 HEAARO CN(C)S(=O)(=O)Nc1ccc(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012243891 132357750 /nfs/dbraw/zinc/35/77/50/132357750.db2.gz JQZKGZOHGYEFLD-GOSISDBHSA-N 1 0 410.584 2.421 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000032974116 519857555 /nfs/dbraw/zinc/85/75/55/519857555.db2.gz WVFVKRJWQNSEEE-UHFFFAOYSA-N 1 0 414.594 2.463 50 0 HEAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000045945004 520486862 /nfs/dbraw/zinc/48/68/62/520486862.db2.gz VODCPIGTYZMKTG-UHFFFAOYSA-N 1 0 409.596 2.498 50 0 HEAARO CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)CC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000032446655 522529779 /nfs/dbraw/zinc/52/97/79/522529779.db2.gz WMZHAQJAOUDGBH-FQEVSTJZSA-N 1 0 407.580 2.001 50 0 HEAARO C[NH+]1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 ZINC000072434080 523774902 /nfs/dbraw/zinc/77/49/02/523774902.db2.gz GTAUUQDCRZTRGY-MRXNPFEDSA-N 1 0 413.971 2.092 50 0 HEAARO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cnc4sccn4c3=O)cc2)C[C@H](C)O1 ZINC000032830667 524617693 /nfs/dbraw/zinc/61/76/93/524617693.db2.gz RVNYSBFMEVJLKN-GJZGRUSLSA-N 1 0 412.515 2.295 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(F)cc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000009340431 535502978 /nfs/dbraw/zinc/50/29/78/535502978.db2.gz TXRKAMCNDJYMPL-VQTJNVASSA-N 1 0 424.476 2.354 50 0 HEAARO CC[NH+](CC)CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1cccc(OC)c1 ZINC000003665912 535538875 /nfs/dbraw/zinc/53/88/75/535538875.db2.gz KXJXXMWEQVIMGR-JOCHJYFZSA-N 1 0 412.490 2.350 50 0 HEAARO COc1cc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(OC)c1 ZINC000001155276 557213450 /nfs/dbraw/zinc/21/34/50/557213450.db2.gz XGZDEJIOKQFIOH-UHFFFAOYSA-N 1 0 406.552 2.206 50 0 HEAARO C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008739212 557803420 /nfs/dbraw/zinc/80/34/20/557803420.db2.gz FQRLMLBNFOIULT-INIZCTEOSA-N 1 0 423.561 2.489 50 0 HEAARO COc1ccc(OC)c(COC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000022918064 558260966 /nfs/dbraw/zinc/26/09/66/558260966.db2.gz CVFZWMCEVLGKNQ-NRFANRHFSA-N 1 0 400.519 2.399 50 0 HEAARO COc1ccccc1-c1ccnc(-n2ncc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2C)n1 ZINC000011783597 558275448 /nfs/dbraw/zinc/27/54/48/558275448.db2.gz PNEGROOKTSOHQW-INIZCTEOSA-N 1 0 406.490 2.422 50 0 HEAARO C[C@@H]1C[N@H+](C2CCN(c3nc4nonc4nc3NC3CCCC3)CC2)C[C@H](C)O1 ZINC000019788659 558281893 /nfs/dbraw/zinc/28/18/93/558281893.db2.gz QKDIJGKVRFCYCE-OKILXGFUSA-N 1 0 401.515 2.445 50 0 HEAARO COC[C@H]1CCCN(Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)C1 ZINC000019939735 558313685 /nfs/dbraw/zinc/31/36/85/558313685.db2.gz PQNCMUFFKNJQRC-INIZCTEOSA-N 1 0 405.568 2.032 50 0 HEAARO C[C@@H](C[N@H+]1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1)c1ccccc1 ZINC000012281164 558365206 /nfs/dbraw/zinc/36/52/06/558365206.db2.gz VCYQNJBIOIHSAV-SFHVURJKSA-N 1 0 404.518 2.307 50 0 HEAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1C ZINC000020993599 558426117 /nfs/dbraw/zinc/42/61/17/558426117.db2.gz UJRKOXRSRJGQKX-MRXNPFEDSA-N 1 0 415.538 2.495 50 0 HEAARO Cc1cccc(Cc2nnc(CCC(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)c1 ZINC000020997536 558427130 /nfs/dbraw/zinc/42/71/30/558427130.db2.gz YYILVUWRQYWSTI-FQEVSTJZSA-N 1 0 412.534 2.472 50 0 HEAARO COc1cccc(C[N@H+]2CCc3nnc(CNC(=O)COc4ccccc4)n3CC2)c1 ZINC000020999749 558428148 /nfs/dbraw/zinc/42/81/48/558428148.db2.gz WUUWUEXFRDGRGB-UHFFFAOYSA-N 1 0 421.501 2.040 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000021793844 558449293 /nfs/dbraw/zinc/44/92/93/558449293.db2.gz ILTZBFNPBQCYPU-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CCN(C(=O)CCOC)CC2)cc1 ZINC000012704623 558449296 /nfs/dbraw/zinc/44/92/96/558449296.db2.gz GMGDAZXJOPAMQG-LJQANCHMSA-N 1 0 417.550 2.307 50 0 HEAARO CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C(C)C)cc1 ZINC000023240064 558544888 /nfs/dbraw/zinc/54/48/88/558544888.db2.gz HPYULEWSFNSJGW-SFTDATJTSA-N 1 0 419.566 2.313 50 0 HEAARO CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)C1 ZINC000004434576 558556780 /nfs/dbraw/zinc/55/67/80/558556780.db2.gz ZHLGRXDFLBUPOK-FQEVSTJZSA-N 1 0 409.596 2.465 50 0 HEAARO CC[C@H](C)[C@@H]1NC(=O)[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)s3)CCN2C1=O ZINC000014732392 558665731 /nfs/dbraw/zinc/66/57/31/558665731.db2.gz HEXJSOPUKYEBLA-DBVUQKKJSA-N 1 0 418.607 2.291 50 0 HEAARO COc1cccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)nc2)[NH+]2CCCC2)c1 ZINC000027342908 558671945 /nfs/dbraw/zinc/67/19/45/558671945.db2.gz STOBZEWSXXZLGV-OAQYLSRUSA-N 1 0 410.518 2.494 50 0 HEAARO CCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)o1 ZINC000014967167 558686180 /nfs/dbraw/zinc/68/61/80/558686180.db2.gz JTAFZEAWMCUIIY-UHFFFAOYSA-N 1 0 423.517 2.473 50 0 HEAARO COc1cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)cc(OC)c1 ZINC000014998767 558697009 /nfs/dbraw/zinc/69/70/09/558697009.db2.gz KMDZNLWUHQACAB-HNNXBMFYSA-N 1 0 401.511 2.187 50 0 HEAARO O=C(C=C1SC(=O)NC1=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000015005243 558698774 /nfs/dbraw/zinc/69/87/74/558698774.db2.gz KMESKSYXDIOSLA-BQGMYUGNSA-N 1 0 415.515 2.183 50 0 HEAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000015068717 558711131 /nfs/dbraw/zinc/71/11/31/558711131.db2.gz FLCAEJHSKQFNQX-FQEVSTJZSA-N 1 0 404.482 2.196 50 0 HEAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000072283366 558714687 /nfs/dbraw/zinc/71/46/87/558714687.db2.gz ZEPOIIQMRIUXQA-UHFFFAOYSA-N 1 0 403.552 2.159 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2Cc3ccccc3N2C(=O)c2ccccc2)CC1 ZINC000022937716 558725970 /nfs/dbraw/zinc/72/59/70/558725970.db2.gz KYZSZFMSMCYPKX-QHCPKHFHSA-N 1 0 420.557 2.402 50 0 HEAARO O=C(CCN1C(=O)COc2ccccc21)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000072306659 558764872 /nfs/dbraw/zinc/76/48/72/558764872.db2.gz OMHPZVKUZYTGAS-UHFFFAOYSA-N 1 0 423.513 2.075 50 0 HEAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)[nH+]3)CC2)cc1F ZINC000033326809 558766920 /nfs/dbraw/zinc/76/69/20/558766920.db2.gz COKBHHFVJAHXKG-UHFFFAOYSA-N 1 0 414.485 2.423 50 0 HEAARO COc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccc3c(c2)OCO3)CC1 ZINC000019731865 558777256 /nfs/dbraw/zinc/77/72/56/558777256.db2.gz HGZOPKBXLASADY-GOSISDBHSA-N 1 0 400.475 2.124 50 0 HEAARO COc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)Cc2ccccc2OC)c1 ZINC000035421502 558791229 /nfs/dbraw/zinc/79/12/29/558791229.db2.gz WGTCDAPFKYMMQR-UHFFFAOYSA-N 1 0 411.502 2.168 50 0 HEAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(N3CCNC3=O)cc2)C[C@H]1CO ZINC000019144877 558846585 /nfs/dbraw/zinc/84/65/85/558846585.db2.gz KTVWSGBBBGPVQX-ZWCUEREDSA-N 1 0 412.509 2.499 50 0 HEAARO COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CCN(C(=O)CCSC)CC1 ZINC000019147885 558847018 /nfs/dbraw/zinc/84/70/18/558847018.db2.gz TYSGABKIIWNWPF-UHFFFAOYSA-N 1 0 423.579 2.110 50 0 HEAARO CN(Cc1cnc(S(C)(=O)=O)n1C[C@@H]1CCCO1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019227540 558852854 /nfs/dbraw/zinc/85/28/54/558852854.db2.gz ZYFURVOUYHPDSM-KRWDZBQOSA-N 1 0 412.600 2.207 50 0 HEAARO O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1)N1CCCC1 ZINC000033033014 558857240 /nfs/dbraw/zinc/85/72/40/558857240.db2.gz YEGGLRNASGLBSG-UHFFFAOYSA-N 1 0 414.531 2.133 50 0 HEAARO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1 ZINC000057993885 558893232 /nfs/dbraw/zinc/89/32/32/558893232.db2.gz OSOLNDXXEHPFGO-INIZCTEOSA-N 1 0 421.563 2.190 50 0 HEAARO Cc1nn(C)c2nc(C)c(C(=O)NCc3ccc(N4CCC[N@H+](C)CC4)nc3)cc12 ZINC000058100975 558898868 /nfs/dbraw/zinc/89/88/68/558898868.db2.gz MEJFYQGTAGBNMB-UHFFFAOYSA-N 1 0 407.522 2.052 50 0 HEAARO COc1cccnc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071721693 558908147 /nfs/dbraw/zinc/90/81/47/558908147.db2.gz GFSWOPWEYLMPPO-QGZVFWFLSA-N 1 0 400.523 2.029 50 0 HEAARO CC(C)c1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)ncn1 ZINC000071746808 558908415 /nfs/dbraw/zinc/90/84/15/558908415.db2.gz ARURAGIAXVBGKQ-SFHVURJKSA-N 1 0 401.555 2.140 50 0 HEAARO CCn1c(=O)[nH]c2cc(C(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2c1=O ZINC000058218614 558913035 /nfs/dbraw/zinc/91/30/35/558913035.db2.gz ALHFPDLDAJYMNW-GASCZTMLSA-N 1 0 400.523 2.196 50 0 HEAARO COc1ccc(NC(=O)c2nnc(C(=O)NCC[NH+]3CCCCCC3)s2)cc1 ZINC000033060165 558954323 /nfs/dbraw/zinc/95/43/23/558954323.db2.gz WPHQZCRXTBNGBA-UHFFFAOYSA-N 1 0 403.508 2.405 50 0 HEAARO Cc1ccc(C)c(C[N@@H+]2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2ccccc2)c1 ZINC000064066897 558961785 /nfs/dbraw/zinc/96/17/85/558961785.db2.gz JWUDLSSPKDWBHW-YADHBBJMSA-N 1 0 404.518 2.464 50 0 HEAARO Cc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000065362207 558972811 /nfs/dbraw/zinc/97/28/11/558972811.db2.gz MPNSGFFSRFEMMB-UHFFFAOYSA-N 1 0 401.532 2.401 50 0 HEAARO CN(c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000065362679 558973469 /nfs/dbraw/zinc/97/34/69/558973469.db2.gz VTJQPLJADLPPGX-UHFFFAOYSA-N 1 0 402.520 2.087 50 0 HEAARO COc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000065364361 558975568 /nfs/dbraw/zinc/97/55/68/558975568.db2.gz GGBQJYOFUWDNIB-UHFFFAOYSA-N 1 0 417.531 2.101 50 0 HEAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)c1nc[nH]n1)nn2-c1cccc(F)c1 ZINC000072432691 558979705 /nfs/dbraw/zinc/97/97/05/558979705.db2.gz ODKZPDMGZOJNKV-UHFFFAOYSA-N 1 0 409.425 2.475 50 0 HEAARO CC(C)C[N@H+](C)CCCN1CC2(CCN(C(=O)C(=O)c3ccco3)CC2)OC1=O ZINC000072434418 558979820 /nfs/dbraw/zinc/97/98/20/558979820.db2.gz UJOOTADNZJRDIS-UHFFFAOYSA-N 1 0 405.495 2.254 50 0 HEAARO CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000067601851 558987527 /nfs/dbraw/zinc/98/75/27/558987527.db2.gz XNZSEXJSVBSZPX-UHFFFAOYSA-N 1 0 416.547 2.477 50 0 HEAARO O=C(CSc1nnnn1-c1cccc(F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000023078421 558999305 /nfs/dbraw/zinc/99/93/05/558999305.db2.gz QASJBMBZGJQBMB-KRWDZBQOSA-N 1 0 412.494 2.284 50 0 HEAARO O=C([C@H]1[C@H]2C(=O)N(C3CCCCCC3)C[C@@]23C=C[C@@H]1O3)N1CC([NH+]2CCCCC2)C1 ZINC000077485711 559006942 /nfs/dbraw/zinc/00/69/42/559006942.db2.gz PXXAQRGBGZHTIL-XARGGIHNSA-N 1 0 413.562 2.188 50 0 HEAARO O=C(Nc1ccc(N2CCOCC2)c(F)c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000097019237 559017535 /nfs/dbraw/zinc/01/75/35/559017535.db2.gz VBIVQYTUXDYIIL-WOJBJXKFSA-N 1 0 406.502 2.162 50 0 HEAARO Cc1cnn(CCNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)c1 ZINC000082092003 559037071 /nfs/dbraw/zinc/03/70/71/559037071.db2.gz LOTQCNDKXSRZIG-OAQYLSRUSA-N 1 0 410.566 2.079 50 0 HEAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000082097913 559037691 /nfs/dbraw/zinc/03/76/91/559037691.db2.gz XBZFHGSXKGBIGM-HXUWFJFHSA-N 1 0 407.518 2.110 50 0 HEAARO Cc1ncnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1C ZINC000082097596 559037695 /nfs/dbraw/zinc/03/76/95/559037695.db2.gz HSAKGMMPHOYGRK-LJQANCHMSA-N 1 0 408.550 2.486 50 0 HEAARO CCn1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)cn1 ZINC000082107582 559038505 /nfs/dbraw/zinc/03/85/05/559038505.db2.gz CZTPZQUGKDPKAO-NRFANRHFSA-N 1 0 410.566 2.291 50 0 HEAARO Cc1nnsc1CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082109413 559038867 /nfs/dbraw/zinc/03/88/67/559038867.db2.gz QNGSZUVOILBGHH-GOSISDBHSA-N 1 0 414.579 2.234 50 0 HEAARO Cc1nnc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)o1 ZINC000082121931 559039672 /nfs/dbraw/zinc/03/96/72/559039672.db2.gz LVTBACKZUNXHRG-LJQANCHMSA-N 1 0 412.538 2.108 50 0 HEAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(C(=O)c3cc[nH]n3)CC2)C1 ZINC000082139168 559040712 /nfs/dbraw/zinc/04/07/12/559040712.db2.gz OOHDVQJPBAQPSU-IBGZPJMESA-N 1 0 409.534 2.085 50 0 HEAARO COC(=O)c1cccc(C[NH+]2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)c1 ZINC000585148506 559059798 /nfs/dbraw/zinc/05/97/98/559059798.db2.gz OOUDOYPQGJHWGC-UHFFFAOYSA-N 1 0 413.396 2.264 50 0 HEAARO CNC(=O)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091707877 559073234 /nfs/dbraw/zinc/07/32/34/559073234.db2.gz LMNIEXAHJAFSRL-NRFANRHFSA-N 1 0 414.594 2.000 50 0 HEAARO COc1ccc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1Cn1cncn1 ZINC000091914598 559074542 /nfs/dbraw/zinc/07/45/42/559074542.db2.gz JMQNTFRAAAKMGY-VGSWGCGISA-N 1 0 400.523 2.335 50 0 HEAARO CCOC(=O)Cc1c(C)nc2ncnn2c1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000023321649 559127048 /nfs/dbraw/zinc/12/70/48/559127048.db2.gz DXZRYBWLZKMRED-KRWDZBQOSA-N 1 0 408.506 2.422 50 0 HEAARO COc1cccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)[NH+](C)C)c1 ZINC000023548692 559176856 /nfs/dbraw/zinc/17/68/56/559176856.db2.gz FGQBGQOIHFZWDK-HXUWFJFHSA-N 1 0 419.547 2.415 50 0 HEAARO CC[NH+](CC)CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O ZINC000004907404 559200744 /nfs/dbraw/zinc/20/07/44/559200744.db2.gz PWRLWSSQOOJDOP-UHFFFAOYSA-N 1 0 407.518 2.230 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@]21C(=O)Nc2ccccc21 ZINC000005350949 560569013 /nfs/dbraw/zinc/56/90/13/560569013.db2.gz LRBIMRVFMWSMMB-HFXGWRGPSA-N 1 0 419.481 2.154 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CCN(c2cccc(Cl)c2)CC1 ZINC000101701748 560798442 /nfs/dbraw/zinc/79/84/42/560798442.db2.gz OIGJBMPHGVHCCE-KRWDZBQOSA-N 1 0 402.926 2.159 50 0 HEAARO C[C@H]([NH2+]C[C@H]([C@H]1CCOC1)N1CCOCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000108172287 560853383 /nfs/dbraw/zinc/85/33/83/560853383.db2.gz KDBVQFDJKIQBCS-LWYYNNOASA-N 1 0 411.587 2.491 50 0 HEAARO COc1ccc(OC)c2c1CN(C[C@@H](O)COc1cccc(C(C)=O)c1)C[C@@H]2O ZINC000105647680 560876620 /nfs/dbraw/zinc/87/66/20/560876620.db2.gz VKHDSJUQOZRMLQ-APWZRJJASA-N 1 0 401.459 2.195 50 0 HEAARO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CC[NH+](CCO)CC2)c1=O ZINC000022697266 568415477 /nfs/dbraw/zinc/41/54/77/568415477.db2.gz KYTLAVDPTNLVTJ-NRFANRHFSA-N 1 0 417.575 2.303 50 0 HEAARO O=C(Cn1cc(Br)ccc1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046028729 568424530 /nfs/dbraw/zinc/42/45/30/568424530.db2.gz ULFSOWGRRCYSMD-UHFFFAOYSA-N 1 0 404.308 2.392 50 0 HEAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000048310474 568436689 /nfs/dbraw/zinc/43/66/89/568436689.db2.gz MWSJDPNBNNNLQJ-ROUUACIJSA-N 1 0 421.607 2.452 50 0 HEAARO COc1ccc(NC(=O)c2nnc(C(=O)NCC[C@H](C)[NH+]3CCCC3)s2)cc1 ZINC000033060205 568510895 /nfs/dbraw/zinc/51/08/95/568510895.db2.gz QLPKLUCCWUOTMM-ZDUSSCGKSA-N 1 0 403.508 2.403 50 0 HEAARO CC[N@H+](CCNS(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1)Cc1ccccc1 ZINC000020985098 568655097 /nfs/dbraw/zinc/65/50/97/568655097.db2.gz UQULXHXYMKUUAB-UHFFFAOYSA-N 1 0 418.544 2.299 50 0 HEAARO O=C(Nc1ccc(F)cc1OC(F)F)N1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971986 568671749 /nfs/dbraw/zinc/67/17/49/568671749.db2.gz WGWHSXKRKPTHQJ-CYBMUJFWSA-N 1 0 421.441 2.200 50 0 HEAARO O=C(c1ccccc1C(F)(F)F)N1CCN(c2cn[nH+]c(N3CCOCC3)c2)CC1 ZINC000096121337 568699548 /nfs/dbraw/zinc/69/95/48/568699548.db2.gz LZZQVWPZJRORDE-UHFFFAOYSA-N 1 0 421.423 2.294 50 0 HEAARO Cc1cn2c3c(nc2n1-c1ccc(C)cc1)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000005797392 568734420 /nfs/dbraw/zinc/73/44/20/568734420.db2.gz VNXMMINGGRNVNV-UHFFFAOYSA-N 1 0 420.517 2.241 50 0 HEAARO CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579214 568770485 /nfs/dbraw/zinc/77/04/85/568770485.db2.gz LMEZNFNMHCDXQG-JOCHJYFZSA-N 1 0 424.545 2.301 50 0 HEAARO COC(=O)c1sccc1S(=O)(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225573777 568774462 /nfs/dbraw/zinc/77/44/62/568774462.db2.gz QGZDSOQEXVWPIX-ZDUSSCGKSA-N 1 0 404.579 2.031 50 0 HEAARO O=C([C@H]1CCN(c2ccccc2Br)C1=O)N1CC[NH+](CC2CC2)CC1 ZINC000055673916 568781832 /nfs/dbraw/zinc/78/18/32/568781832.db2.gz NQTLWJWSSSAQQO-OAHLLOKOSA-N 1 0 406.324 2.356 50 0 HEAARO CN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCn1ccc2c(cnc3ccnn32)c1=O ZINC000299754488 568782248 /nfs/dbraw/zinc/78/22/48/568782248.db2.gz XKICDWOBYLFPDY-IEBWSBKVSA-N 1 0 422.533 2.157 50 0 biogenic HEAARO CCN1C(=O)N(CC)C(=O)C2(Cc3c(Cl)cccc3N3CC[N@H+](CC)C[C@H]32)C1=O ZINC000057099744 568824127 /nfs/dbraw/zinc/82/41/27/568824127.db2.gz ORULVQPKGJSAEF-KRWDZBQOSA-N 1 0 418.925 2.224 50 0 HEAARO NC(=O)[C@@H]1CC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)=NN1c1ccccc1 ZINC000057991323 568873123 /nfs/dbraw/zinc/87/31/23/568873123.db2.gz ZEHBMWWUZJHNST-UNMCSNQZSA-N 1 0 419.529 2.278 50 0 HEAARO COc1ccccc1COC[C@@H](O)C[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000058010150 568875360 /nfs/dbraw/zinc/87/53/60/568875360.db2.gz MSXKKNTULQHTCF-NRFANRHFSA-N 1 0 410.518 2.038 50 0 HEAARO CC(C)c1ccc(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)nn1 ZINC000299789962 568875785 /nfs/dbraw/zinc/87/57/85/568875785.db2.gz ALKAEGZEJBAIRM-IBGZPJMESA-N 1 0 401.555 2.361 50 0 HEAARO Cc1ccnn1CC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299791247 568875866 /nfs/dbraw/zinc/87/58/66/568875866.db2.gz CVOWSINCMNDJOW-NRFANRHFSA-N 1 0 416.497 2.101 50 0 HEAARO O=C1CO[C@@H](CNc2ncnc3ccsc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299792721 568876003 /nfs/dbraw/zinc/87/60/03/568876003.db2.gz GMKVJMRIIIMHIW-KRWDZBQOSA-N 1 0 415.563 2.453 50 0 HEAARO Cc1n[nH]c(C)c1C[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299792362 568876011 /nfs/dbraw/zinc/87/60/11/568876011.db2.gz DPWLFOGNVUHYPJ-HXUWFJFHSA-N 1 0 416.497 2.436 50 0 HEAARO O=C(N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1ccc(C(F)(F)F)nc1 ZINC000670460180 568949031 /nfs/dbraw/zinc/94/90/31/568949031.db2.gz YQNHDCIEVNPXSS-BSLVTKGXSA-N 1 0 416.447 2.398 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000012782812 568958781 /nfs/dbraw/zinc/95/87/81/568958781.db2.gz SKULOXIBUDMVEY-UHFFFAOYSA-N 1 0 407.580 2.385 50 0 HEAARO COc1ccc(CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC(F)(F)F)cc1 ZINC000012787052 568960362 /nfs/dbraw/zinc/96/03/62/568960362.db2.gz GTOGSEJFOPAEHV-UHFFFAOYSA-N 1 0 414.428 2.033 50 0 HEAARO NC(=O)c1cc(S(=O)(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cs1 ZINC000015731436 568981834 /nfs/dbraw/zinc/98/18/34/568981834.db2.gz NFGSMHXUELWTHU-UHFFFAOYSA-N 1 0 411.524 2.177 50 0 HEAARO O=C(CCc1nnc2ccc(NCc3ccc(F)cc3)nn21)NCC[NH+]1CCCC1 ZINC000015776501 569000125 /nfs/dbraw/zinc/00/01/25/569000125.db2.gz CMLZWSNIKCQEKZ-UHFFFAOYSA-N 1 0 411.485 2.020 50 0 HEAARO COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(C[NH+]3CCCC3)n1C)CC2 ZINC000085876445 569009554 /nfs/dbraw/zinc/00/95/54/569009554.db2.gz FUKTULUWUXEASG-UHFFFAOYSA-N 1 0 413.518 2.262 50 0 biogenic HEAARO CSCC[C@H]1[NH2+][C@@]2(c3cc(C)ccc3NC2=O)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000015957340 569024595 /nfs/dbraw/zinc/02/45/95/569024595.db2.gz HGEBMVUMLBLGLT-QLDGJZPUSA-N 1 0 413.543 2.411 50 0 biogenic HEAARO O[C@H](COC[C@@H]1COc2ccccc2O1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022077476 569042508 /nfs/dbraw/zinc/04/25/08/569042508.db2.gz LZJPRBUYHCLOCZ-VQTJNVASSA-N 1 0 402.466 2.165 50 0 HEAARO C[NH+](C)CCNC(=O)C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000006876762 569048366 /nfs/dbraw/zinc/04/83/66/569048366.db2.gz ARTFOQONUKULHS-UHFFFAOYSA-N 1 0 416.526 2.491 50 0 HEAARO CCC(CC)[C@H](CNC(=O)CN1c2ccccc2OCCC1=O)[NH+]1CCOCC1 ZINC000012997811 569048386 /nfs/dbraw/zinc/04/83/86/569048386.db2.gz OMOSOCMDLDGFDY-IBGZPJMESA-N 1 0 403.523 2.055 50 0 HEAARO O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000252570574 569051344 /nfs/dbraw/zinc/05/13/44/569051344.db2.gz WUMOGGAJJHRNBD-NEWSRXKRSA-N 1 0 416.497 2.221 50 0 HEAARO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000240278356 569054542 /nfs/dbraw/zinc/05/45/42/569054542.db2.gz DQPUICHZYFTAJX-DLBZAZTESA-N 1 0 406.324 2.499 50 0 HEAARO COc1cccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@@H+]4[C@@]4(c5ccccc5NC4=O)[C@H]3C2=O)c1 ZINC000245226053 569055209 /nfs/dbraw/zinc/05/52/09/569055209.db2.gz GMNXXRIOIFEQEK-LVBDUCALSA-N 1 0 403.438 2.126 50 0 HEAARO C[C@H](C(=O)N(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1cccn1 ZINC000054363443 569072420 /nfs/dbraw/zinc/07/24/20/569072420.db2.gz CCSXHRNVZOIYLH-MRXNPFEDSA-N 1 0 417.941 2.337 50 0 HEAARO CCn1c2c(C(=O)NCC(C)C)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064835962 569104630 /nfs/dbraw/zinc/10/46/30/569104630.db2.gz IDNOJSNXNQSMKF-UHFFFAOYSA-N 1 0 407.518 2.460 50 0 HEAARO COCC[NH2+][C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000006784905 569121310 /nfs/dbraw/zinc/12/13/10/569121310.db2.gz DARZMPGCBXVPHO-ZDUSSCGKSA-N 1 0 403.932 2.078 50 0 HEAARO CCn1c2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966196 569137404 /nfs/dbraw/zinc/13/74/04/569137404.db2.gz ZUTJBOOABYSBOT-UHFFFAOYSA-N 1 0 421.379 2.313 50 0 HEAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000006839841 569151150 /nfs/dbraw/zinc/15/11/50/569151150.db2.gz RIUQQNMSTBTXQE-HNNXBMFYSA-N 1 0 416.547 2.226 50 0 HEAARO COc1ccc2[nH]c(C(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2c1 ZINC000524732239 569212618 /nfs/dbraw/zinc/21/26/18/569212618.db2.gz RXISVCJDZHHTNA-WBVHZDCISA-N 1 0 406.486 2.187 50 0 HEAARO CCn1c2cc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)ccc2n2nccc2c1=O ZINC000065270845 569213447 /nfs/dbraw/zinc/21/34/47/569213447.db2.gz BGWANISKWOJFLS-UHFFFAOYSA-N 1 0 415.497 2.457 50 0 HEAARO O=C(NCc1cccnc1N1CCOCC1)c1cccnc1O[C@@H]1CCSC1 ZINC000252479604 569288856 /nfs/dbraw/zinc/28/88/56/569288856.db2.gz BIKYLRAXGHWKCQ-MRXNPFEDSA-N 1 0 400.504 2.128 50 0 HEAARO CCOC(=O)[C@@H]1[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CCN1C(=O)OC(C)(C)C ZINC000252506597 569291303 /nfs/dbraw/zinc/29/13/03/569291303.db2.gz WBKXAKZXEATMAC-BZSNNMDCSA-N 1 0 423.554 2.308 50 0 HEAARO C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)N1C[C@@H]([NH+]2CCCC2)[C@@H](O)C1 ZINC000252666839 569319130 /nfs/dbraw/zinc/31/91/30/569319130.db2.gz CMPITBUOJKWALO-YHYVQYDKSA-N 1 0 407.514 2.386 50 0 HEAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)C4CCOCC4)CC3)C2)CC1 ZINC000581820110 569320921 /nfs/dbraw/zinc/32/09/21/569320921.db2.gz RHJPSXJPWOOAFJ-OAQYLSRUSA-N 1 0 407.599 2.227 50 0 HEAARO Cc1cc(N2CCC(CNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc[nH+]1 ZINC000253403178 569365839 /nfs/dbraw/zinc/36/58/39/569365839.db2.gz PMBCDPVHRTYROP-UHFFFAOYSA-N 1 0 416.547 2.287 50 0 HEAARO CO[C@@H](C)c1noc(CN2CCC[N@H+](CCC(=O)N3CCc4ccccc43)CC2)n1 ZINC000079022041 569424331 /nfs/dbraw/zinc/42/43/31/569424331.db2.gz SZMLVISSRVZBKE-KRWDZBQOSA-N 1 0 413.522 2.264 50 0 HEAARO CCOc1cc(CNc2ccn(CC[NH+](C)C)n2)ccc1O[C@H](C)C(=O)N(C)C ZINC000079093388 569427101 /nfs/dbraw/zinc/42/71/01/569427101.db2.gz BYGKMLWRDQMBKL-MRXNPFEDSA-N 1 0 403.527 2.311 50 0 HEAARO COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)n2)c1 ZINC000079192088 569429280 /nfs/dbraw/zinc/42/92/80/569429280.db2.gz FCHGOGKJKSZNPZ-GHTZIAJQSA-N 1 0 410.518 2.300 50 0 biogenic HEAARO CCOc1ccc(-c2cc3c(=O)n(CCC(=O)N4CCC[N@H+](C)CC4)ccn3n2)cc1 ZINC000067262528 571061833 /nfs/dbraw/zinc/06/18/33/571061833.db2.gz GPZMTWKXNXNBRS-UHFFFAOYSA-N 1 0 423.517 2.116 50 0 HEAARO COCCCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2C1=O ZINC000040159736 571205762 /nfs/dbraw/zinc/20/57/62/571205762.db2.gz FRLDZBGZECYOEV-KRWDZBQOSA-N 1 0 415.515 2.413 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]([C@@H](C)O)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000008995825 571208425 /nfs/dbraw/zinc/20/84/25/571208425.db2.gz QMLNGBPKBHKELV-BVOYOSPQSA-N 1 0 415.877 2.494 50 0 biogenic HEAARO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000009528426 571266227 /nfs/dbraw/zinc/26/62/27/571266227.db2.gz ZSMOLEJEXNURTP-GOSISDBHSA-N 1 0 409.577 2.299 50 0 HEAARO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009577143 571269943 /nfs/dbraw/zinc/26/99/43/571269943.db2.gz DHXRIQYETKUKIY-UHFFFAOYSA-N 1 0 422.529 2.200 50 0 HEAARO O=C(CN1C(=O)NC2(CCCC2)C1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009596738 571272401 /nfs/dbraw/zinc/27/24/01/571272401.db2.gz OGVKNHZZKZHAFO-UHFFFAOYSA-N 1 0 418.925 2.285 50 0 HEAARO Cc1nn(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)c2c1C(=O)CCC2 ZINC000021163537 571315033 /nfs/dbraw/zinc/31/50/33/571315033.db2.gz QCCRFDGQYJHWMA-UHFFFAOYSA-N 1 0 409.534 2.067 50 0 HEAARO CCNC(=O)N1CCC[C@@H]1c1noc(CCC(=O)N2CC[NH+](C(CC)CC)CC2)n1 ZINC000581785644 1078764867 /nfs/dbraw/zinc/76/48/67/1078764867.db2.gz KHDZMHQHEMWANO-QGZVFWFLSA-N 1 0 420.558 2.201 50 0 HEAARO O=C(C[NH+]1CCCCCC1)N1CC[C@@H](c2nc(CCOCC3CCOCC3)no2)C1 ZINC000581798088 1078768772 /nfs/dbraw/zinc/76/87/72/1078768772.db2.gz DKNWIUAHBQISGB-LJQANCHMSA-N 1 0 420.554 2.247 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)CN2C(=O)C3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000581803872 1078779871 /nfs/dbraw/zinc/77/98/71/1078779871.db2.gz ZIYIZSQCTDEJHA-JOCHJYFZSA-N 1 0 412.578 2.274 50 0 HEAARO C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CCN(C(=O)c1nccc3ccccc31)CC2 ZINC000581802672 1078772447 /nfs/dbraw/zinc/77/24/47/1078772447.db2.gz MOILPBIZXCMKSG-HXUWFJFHSA-N 1 0 422.529 2.020 50 0 HEAARO O=C(CN1C(=O)[C@@H](Oc2ccc(F)cc2)C12CCCCC2)NCC[NH+]1CCCC1 ZINC000581803479 1078779920 /nfs/dbraw/zinc/77/99/20/1078779920.db2.gz VGWDQTXOCDRQJE-HXUWFJFHSA-N 1 0 403.498 2.330 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)CC2=C3CCCC[C@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581792372 1078774959 /nfs/dbraw/zinc/77/49/59/1078774959.db2.gz FKQVDDULUUKEIQ-HSZRJFAPSA-N 1 0 424.589 2.412 50 0 HEAARO O=C(c1cccs1)N1CCC(N2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000581814197 1078794202 /nfs/dbraw/zinc/79/42/02/1078794202.db2.gz BCKQWYLSWDJJOP-KDURUIRLSA-N 1 0 423.538 2.470 50 0 HEAARO C[NH+]1CCN(c2ccccc2NC(=O)Cn2ncc3c4ccccc4[nH]c3c2=O)CC1 ZINC000006900196 132320105 /nfs/dbraw/zinc/32/01/05/132320105.db2.gz RCIWXGIKAFWPIP-UHFFFAOYSA-N 1 0 416.485 2.268 50 0 HEAARO CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)ccc21 ZINC000007325426 132323839 /nfs/dbraw/zinc/32/38/39/132323839.db2.gz ZEXWWYQHFQCWIN-UHFFFAOYSA-N 1 0 414.531 2.148 50 0 HEAARO CC(C)CC[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCCCN1CCCc2ccccc21 ZINC000011937789 132352418 /nfs/dbraw/zinc/35/24/18/132352418.db2.gz KZBQXKZOZPZMCS-OAQYLSRUSA-N 1 0 400.567 2.182 50 0 HEAARO CCCC[N@H+](CC)CCNC(=O)Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574332 520476570 /nfs/dbraw/zinc/47/65/70/520476570.db2.gz YDEZEARREVRCQS-UHFFFAOYSA-N 1 0 415.469 2.429 50 0 HEAARO CCCC1N=NC(=S)N1CC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000032830671 521567619 /nfs/dbraw/zinc/56/76/19/521567619.db2.gz INQYBQIKAORRJZ-IYBDPMFKSA-N 1 0 417.579 2.445 50 0 HEAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000032795855 524026850 /nfs/dbraw/zinc/02/68/50/524026850.db2.gz NHUZJSYMSCPVRM-FQEVSTJZSA-N 1 0 409.534 2.436 50 0 HEAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000032930730 524236758 /nfs/dbraw/zinc/23/67/58/524236758.db2.gz RCVLKBVDVNZVMF-QGZVFWFLSA-N 1 0 405.502 2.340 50 0 HEAARO Cc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(CC[NH+](C)C)CC2)cs1 ZINC000040355415 525065154 /nfs/dbraw/zinc/06/51/54/525065154.db2.gz WEZNPMWSGCPVDI-UHFFFAOYSA-N 1 0 401.536 2.023 50 0 HEAARO Cc1ccccc1S(=O)(=O)N(CCCc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000045974662 525327830 /nfs/dbraw/zinc/32/78/30/525327830.db2.gz UESJUWOKPOSTDE-UHFFFAOYSA-N 1 0 415.559 2.050 50 0 HEAARO O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400507 526479193 /nfs/dbraw/zinc/47/91/93/526479193.db2.gz OQIGMBPIVDWGPJ-UHFFFAOYSA-N 1 0 412.534 2.196 50 0 HEAARO C[NH+](C)CCNC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000034669052 557362704 /nfs/dbraw/zinc/36/27/04/557362704.db2.gz MRIIHIQCZRPKPG-UHFFFAOYSA-N 1 0 407.971 2.410 50 0 HEAARO Cc1cc(Cl)cc(Br)c1OC[C@@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000004324459 557541654 /nfs/dbraw/zinc/54/16/54/557541654.db2.gz CWEUAOIUQXXEJP-ZDUSSCGKSA-N 1 0 405.720 2.348 50 0 HEAARO COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022767164 557815084 /nfs/dbraw/zinc/81/50/84/557815084.db2.gz BJAFGWQLDKRVHW-KRWDZBQOSA-N 1 0 409.577 2.332 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)cc2C)N2CC[NH+](C)CC2)cc1 ZINC000022778562 557821469 /nfs/dbraw/zinc/82/14/69/557821469.db2.gz SHZCUHHOCXMYKQ-JOCHJYFZSA-N 1 0 424.545 2.355 50 0 HEAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)c(C)c2)N2CC[NH+](C)CC2)cc1 ZINC000022795056 557822363 /nfs/dbraw/zinc/82/23/63/557822363.db2.gz UOZZMIUCBWJGOE-OAQYLSRUSA-N 1 0 421.538 2.410 50 0 HEAARO CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022796084 557822847 /nfs/dbraw/zinc/82/28/47/557822847.db2.gz NJPJMZQJTUEDBM-NRFANRHFSA-N 1 0 412.509 2.432 50 0 HEAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C)cc1 ZINC000022822076 557832929 /nfs/dbraw/zinc/83/29/29/557832929.db2.gz OLPJFDHUURHXPS-UHFFFAOYSA-N 1 0 423.517 2.347 50 0 HEAARO COc1ccc(CN(C)Cc2cnccn2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011753936 558272774 /nfs/dbraw/zinc/27/27/74/558272774.db2.gz ZZNTUOOQRLEJED-FQEVSTJZSA-N 1 0 400.523 2.343 50 0 HEAARO C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@@H+](Cc1cccc(F)c1)CC2 ZINC000011872318 558290446 /nfs/dbraw/zinc/29/04/46/558290446.db2.gz QMRLKRRPUAORKB-HNNXBMFYSA-N 1 0 401.486 2.079 50 0 HEAARO COc1cc(C)c(C[N@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1C ZINC000019885281 558302164 /nfs/dbraw/zinc/30/21/64/558302164.db2.gz HOUZWBRFDTVFFR-UHFFFAOYSA-N 1 0 420.517 2.287 50 0 HEAARO CCOC(=O)C1=C(O)NC(N2CCN(Cc3ccccc3)CC2)=[NH+][C@@H]1c1ccccc1 ZINC000019899522 558304872 /nfs/dbraw/zinc/30/48/72/558304872.db2.gz ZRXWWPWDHIPZAG-NHCUHLMSSA-N 1 0 420.513 2.211 50 0 HEAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011978325 558305874 /nfs/dbraw/zinc/30/58/74/558305874.db2.gz STJFWMUEKGFAJP-CQSZACIVSA-N 1 0 409.446 2.149 50 0 HEAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(C)=O)CC2)cc1Cn1cncn1 ZINC000012055777 558315917 /nfs/dbraw/zinc/31/59/17/558315917.db2.gz AHCRVDBDOMBLLR-UHFFFAOYSA-N 1 0 409.494 2.327 50 0 HEAARO CC[NH+]1CCN(CCOCCOc2ccc(I)cc2)CC1 ZINC000020406270 558360165 /nfs/dbraw/zinc/36/01/65/558360165.db2.gz HSYXVTIOUZWKIV-UHFFFAOYSA-N 1 0 404.292 2.324 50 0 HEAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)C1=NN(C)C(=O)CC1 ZINC000012300269 558370078 /nfs/dbraw/zinc/37/00/78/558370078.db2.gz WSFDREIIIJQZTO-UHFFFAOYSA-N 1 0 418.513 2.121 50 0 HEAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(-n4cncn4)cc3)on2)C1 ZINC000012386299 558395039 /nfs/dbraw/zinc/39/50/39/558395039.db2.gz ZNLBJKFMRGRIOK-KRWDZBQOSA-N 1 0 410.478 2.391 50 0 HEAARO COc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000020783832 558413506 /nfs/dbraw/zinc/41/35/06/558413506.db2.gz SGGYUNDUVJADJR-OAQYLSRUSA-N 1 0 418.509 2.239 50 0 HEAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]C[C@H]1COCCO1 ZINC000012446805 558414259 /nfs/dbraw/zinc/41/42/59/558414259.db2.gz GMTYWGSATNYVHW-KRWDZBQOSA-N 1 0 414.531 2.216 50 0 HEAARO Cn1c(=O)c2c(SCC[NH+]3CCCC3)nc(-c3ccccc3F)nc2n(C)c1=O ZINC000004341377 558424957 /nfs/dbraw/zinc/42/49/57/558424957.db2.gz HIORXGZRSXFUAV-UHFFFAOYSA-N 1 0 415.494 2.021 50 0 HEAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CN1CC[NH+](C2CCCC2)CC1 ZINC000020993914 558426428 /nfs/dbraw/zinc/42/64/28/558426428.db2.gz UKRNFLWJYRVAIR-QFIPXVFZSA-N 1 0 407.505 2.379 50 0 HEAARO COc1cccc(OC)c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020999210 558427707 /nfs/dbraw/zinc/42/77/07/558427707.db2.gz WPFATBLXOKXAKK-FQEVSTJZSA-N 1 0 405.583 2.445 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)o1 ZINC000020999896 558428253 /nfs/dbraw/zinc/42/82/53/558428253.db2.gz FNRGOXVFBOCRON-KRWDZBQOSA-N 1 0 409.490 2.494 50 0 HEAARO COC[C@@H](O)CNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012708963 558451310 /nfs/dbraw/zinc/45/13/10/558451310.db2.gz XCFHEAQIDYFTCU-SFHVURJKSA-N 1 0 406.523 2.218 50 0 HEAARO COc1ccc(-c2nn(CN3CC[NH+](C)CC3)c(=S)n2C[C@@H]2CCCO2)cc1 ZINC000022037072 558459297 /nfs/dbraw/zinc/45/92/97/558459297.db2.gz NVDDDUBLQDIDPK-SFHVURJKSA-N 1 0 403.552 2.474 50 0 HEAARO COc1ccc([C@@H](C[NH2+]C[C@H](O)COc2ccc(C)cc2)N2CCOCC2)cc1 ZINC000022038264 558459444 /nfs/dbraw/zinc/45/94/44/558459444.db2.gz OXBVTFZPCZPEAI-NZQKXSOJSA-N 1 0 400.519 2.406 50 0 HEAARO OCC[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000022851359 558516788 /nfs/dbraw/zinc/51/67/88/558516788.db2.gz OBKOWGRKLCCTQM-UHFFFAOYSA-N 1 0 420.513 2.437 50 0 HEAARO CC[NH+](CC)CCN(C)Cc1cnc(S(=O)(=O)CCC(C)C)n1CCOC ZINC000022913363 558520261 /nfs/dbraw/zinc/52/02/61/558520261.db2.gz NJFDHKNFMOWEDA-UHFFFAOYSA-N 1 0 402.605 2.123 50 0 HEAARO CC[NH+]1CCN(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)CC1 ZINC000022919795 558522594 /nfs/dbraw/zinc/52/25/94/558522594.db2.gz JGSIRIBRAQVNPR-GOSISDBHSA-N 1 0 403.477 2.282 50 0 HEAARO COc1ccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc1Cn1cncn1 ZINC000022932845 558525270 /nfs/dbraw/zinc/52/52/70/558525270.db2.gz RACWOMFJTAVWMV-NRFANRHFSA-N 1 0 401.555 2.250 50 0 HEAARO CNS(=O)(=O)Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000026252135 558657919 /nfs/dbraw/zinc/65/79/19/558657919.db2.gz AWZMGLBLDVTXSP-UHFFFAOYSA-N 1 0 410.584 2.190 50 0 HEAARO COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014733600 558666321 /nfs/dbraw/zinc/66/63/21/558666321.db2.gz GNIYXEPFMQNQIE-UHFFFAOYSA-N 1 0 423.517 2.312 50 0 HEAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cnn(C)c1)CC2 ZINC000014740987 558666885 /nfs/dbraw/zinc/66/68/85/558666885.db2.gz UMMWKARCHJSZRU-UHFFFAOYSA-N 1 0 410.522 2.067 50 0 HEAARO O=C(NCCc1nnc2n1CC[N@@H+](Cc1ccc3ncccc3c1)CC2)C1CCC1 ZINC000014887471 558677844 /nfs/dbraw/zinc/67/78/44/558677844.db2.gz MAHXDDASJFQDEQ-UHFFFAOYSA-N 1 0 404.518 2.343 50 0 HEAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000072272387 558691326 /nfs/dbraw/zinc/69/13/26/558691326.db2.gz YCABGISCFZPBPO-VLFNSIGCSA-N 1 0 417.550 2.241 50 0 HEAARO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)n1 ZINC000028891251 558706721 /nfs/dbraw/zinc/70/67/21/558706721.db2.gz BYIBFAGEJOZFQQ-UHFFFAOYSA-N 1 0 410.522 2.158 50 0 HEAARO O=C(c1cccc(OC2CC[NH+](C3CCCC3)CC2)c1)N1CCN(CCO)CC1 ZINC000015065567 558708405 /nfs/dbraw/zinc/70/84/05/558708405.db2.gz YWOIOPADMVAYRZ-UHFFFAOYSA-N 1 0 401.551 2.223 50 0 HEAARO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCC(=O)N1C(=O)[C@H]1CCC[NH2+]1 ZINC000015108595 558723468 /nfs/dbraw/zinc/72/34/68/558723468.db2.gz TYIUACDVEQXMMP-CVEARBPZSA-N 1 0 413.474 2.326 50 0 HEAARO CCOC(=O)C1=C(N)Oc2cc(C)n(CC[NH+](C)C)c(=O)c2[C@H]1c1ccccc1F ZINC000004570640 558742796 /nfs/dbraw/zinc/74/27/96/558742796.db2.gz YJWQSLMCWMFPNM-QGZVFWFLSA-N 1 0 415.465 2.115 50 0 HEAARO CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016024487 558768666 /nfs/dbraw/zinc/76/86/66/558768666.db2.gz HLDAZIGKCCKODR-JVTRTEKTSA-N 1 0 403.482 2.448 50 0 HEAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[NH2+][C@H](C)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000016024872 558768851 /nfs/dbraw/zinc/76/88/51/558768851.db2.gz NTYZDXDWZHLFJP-PAXILDSZSA-N 1 0 403.482 2.286 50 0 HEAARO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000072308354 558770504 /nfs/dbraw/zinc/77/05/04/558770504.db2.gz MARNCYZREXQRJP-IBGZPJMESA-N 1 0 416.547 2.263 50 0 HEAARO Cc1ccc(S(=O)(=O)N2CCCN(C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1 ZINC000016427496 558790615 /nfs/dbraw/zinc/79/06/15/558790615.db2.gz IOSCWJMKROTXTO-FQEVSTJZSA-N 1 0 409.596 2.048 50 0 HEAARO O=C(C[NH2+]CCOc1ccccc1F)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000016695508 558801062 /nfs/dbraw/zinc/80/10/62/558801062.db2.gz YCQTVALKMACZIU-SFHVURJKSA-N 1 0 420.506 2.010 50 0 HEAARO CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000016972099 558810760 /nfs/dbraw/zinc/81/07/60/558810760.db2.gz NEOVVIVDFOKJHO-KKSFZXQISA-N 1 0 418.925 2.270 50 0 HEAARO COc1cccc(C[N@H+](C)CCC2CCOCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039353964 558820180 /nfs/dbraw/zinc/82/01/80/558820180.db2.gz XYTLGQKJYINABY-NRFANRHFSA-N 1 0 422.566 2.016 50 0 HEAARO Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)N3CC[NH+](C(C)C)CC3)c2=O)cc1 ZINC000097938371 558824737 /nfs/dbraw/zinc/82/47/37/558824737.db2.gz CDSTXAGKUOKPQP-UHFFFAOYSA-N 1 0 410.518 2.270 50 0 HEAARO CCn1ccnc1CN1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019228406 558852972 /nfs/dbraw/zinc/85/29/72/558852972.db2.gz HQUBHYKOONBLDT-HXUWFJFHSA-N 1 0 411.550 2.414 50 0 HEAARO COc1cccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)Cc2ccccc2Cl)c1 ZINC000033032431 558856832 /nfs/dbraw/zinc/85/68/32/558856832.db2.gz DBXFSOIXJPCEJK-UHFFFAOYSA-N 1 0 401.894 2.423 50 0 HEAARO O=C(C1CC[NH+](C2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1)N1CCOCC1 ZINC000055196966 558875496 /nfs/dbraw/zinc/87/54/96/558875496.db2.gz UDGBPFKJRTYXJS-UHFFFAOYSA-N 1 0 413.562 2.157 50 0 HEAARO CC[NH+](CC)CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl ZINC000033131447 558887899 /nfs/dbraw/zinc/88/78/99/558887899.db2.gz ONSOGCQUOIPCDT-UHFFFAOYSA-N 1 0 420.000 2.149 50 0 HEAARO CC(C)CN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071405708 558897723 /nfs/dbraw/zinc/89/77/23/558897723.db2.gz YLENJRYMBBYWGA-OAQYLSRUSA-N 1 0 402.583 2.235 50 0 HEAARO COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058158675 558903887 /nfs/dbraw/zinc/90/38/87/558903887.db2.gz LJTMJYSRAXZRKG-IAGOWNOFSA-N 1 0 417.550 2.351 50 0 HEAARO O=C(c1cn2ccccc2n1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751465 558908983 /nfs/dbraw/zinc/90/89/83/558908983.db2.gz FOARXEJXSBVDAR-GOSISDBHSA-N 1 0 409.534 2.273 50 0 HEAARO COc1ccnc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1OC ZINC000071760348 558910022 /nfs/dbraw/zinc/91/00/22/558910022.db2.gz KFAHGVFLSAOWAU-SFHVURJKSA-N 1 0 416.566 2.398 50 0 HEAARO COCC[N@H+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000058306889 558918407 /nfs/dbraw/zinc/91/84/07/558918407.db2.gz BNNLIOFONAPYEK-ZDUSSCGKSA-N 1 0 421.357 2.189 50 0 HEAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000060100465 558941001 /nfs/dbraw/zinc/94/10/01/558941001.db2.gz PCZYVMQINQFHCU-UHFFFAOYSA-N 1 0 421.485 2.179 50 0 HEAARO Cc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(N2CCCC2)[nH+]1 ZINC000064814547 558966081 /nfs/dbraw/zinc/96/60/81/558966081.db2.gz KQVKYJCJXIXZAP-UHFFFAOYSA-N 1 0 423.489 2.174 50 0 HEAARO Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000072437704 558981024 /nfs/dbraw/zinc/98/10/24/558981024.db2.gz AWWCOYDAEJHTEH-SFHVURJKSA-N 1 0 421.607 2.385 50 0 HEAARO CCOC(=O)c1c2c(sc1NC(=O)CN1CCN(C)CC1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000022037439 558985564 /nfs/dbraw/zinc/98/55/64/558985564.db2.gz JECVBRUYUSLWPR-UHFFFAOYSA-N 1 0 422.595 2.270 50 0 HEAARO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](Cc1cnn(C)c1)C(N)=O ZINC000097139555 558996799 /nfs/dbraw/zinc/99/67/99/558996799.db2.gz QITJCDXIIJWWHG-TZMCWYRMSA-N 1 0 411.428 2.090 50 0 HEAARO CC(C)[NH+]1CCN(CCCN2CC3(CCN(C(=O)C4(C)CC4)CC3)OC2=O)CC1 ZINC000077287099 559000402 /nfs/dbraw/zinc/00/04/02/559000402.db2.gz YMPWAELCSBRGRV-UHFFFAOYSA-N 1 0 406.571 2.016 50 0 HEAARO C[N@H+](CCCN1CC2(CCN(C(=O)[C@H]3CCOC3)CC2)OC1=O)C1CCCCC1 ZINC000077299875 559000705 /nfs/dbraw/zinc/00/07/05/559000705.db2.gz IDOIFTFWNSZRBT-SFHVURJKSA-N 1 0 407.555 2.491 50 0 HEAARO C[NH+](C)[C@@H]1CCN(CCCN2CC3(CCN(C(=O)c4ccccc4)CC3)OC2=O)C1 ZINC000077388529 559003389 /nfs/dbraw/zinc/00/33/89/559003389.db2.gz HBLRDEMEOVFBHW-HXUWFJFHSA-N 1 0 414.550 2.140 50 0 HEAARO C[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1)C[C@H]1CCCCO1 ZINC000077489621 559007307 /nfs/dbraw/zinc/00/73/07/559007307.db2.gz IKVIGOAMNSLMJZ-QGZVFWFLSA-N 1 0 413.474 2.035 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccc(CO)o3)CC2)C1 ZINC000082107133 559038375 /nfs/dbraw/zinc/03/83/75/559038375.db2.gz UOEUYIAUMVZHMQ-SFHVURJKSA-N 1 0 412.534 2.160 50 0 HEAARO Cc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082108008 559038541 /nfs/dbraw/zinc/03/85/41/559038541.db2.gz ZTXUERZRKGFQCK-FQEVSTJZSA-N 1 0 410.566 2.116 50 0 HEAARO COCC1(N(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082108602 559038601 /nfs/dbraw/zinc/03/86/01/559038601.db2.gz IYQRYSKOEDXMNR-FQEVSTJZSA-N 1 0 400.567 2.395 50 0 HEAARO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)c3cscn3)CC2)C1 ZINC000082125930 559039656 /nfs/dbraw/zinc/03/96/56/559039656.db2.gz AGEOCZKKJFOZDF-QGZVFWFLSA-N 1 0 413.547 2.171 50 0 HEAARO Cc1ccn(CCNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000082136943 559040314 /nfs/dbraw/zinc/04/03/14/559040314.db2.gz MDXUFWJUOONCII-NRFANRHFSA-N 1 0 410.566 2.079 50 0 HEAARO Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)n1 ZINC000082139190 559040663 /nfs/dbraw/zinc/04/06/63/559040663.db2.gz YVSHVKRFECMLLZ-HXUWFJFHSA-N 1 0 410.566 2.448 50 0 HEAARO CC[C@@H](C)n1c(C)c(C)n2c3c(nc21)n(C)c(=O)n(CC[NH+]1CCCCC1)c3=O ZINC000008704226 559064522 /nfs/dbraw/zinc/06/45/22/559064522.db2.gz SVOMYBQCZQAKKE-CQSZACIVSA-N 1 0 400.527 2.223 50 0 HEAARO NC(=O)c1ccc2[nH]c(C[N@@H+]3CCC[C@]4(C3)c3ccccc3NC4=O)cc(=O)c2c1 ZINC000091645186 559072609 /nfs/dbraw/zinc/07/26/09/559072609.db2.gz HGTUHCPEBNRZCJ-QHCPKHFHSA-N 1 0 402.454 2.113 50 0 HEAARO C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095388454 559080873 /nfs/dbraw/zinc/08/08/73/559080873.db2.gz OYJBYSGDPYSHOJ-WOUAJJJCSA-N 1 0 402.514 2.365 50 0 HEAARO COc1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095498723 559081965 /nfs/dbraw/zinc/08/19/65/559081965.db2.gz GEFNPKJGTYDRBW-MRXNPFEDSA-N 1 0 401.511 2.357 50 0 HEAARO COc1ccc(CN(C)Cc2nccn2C)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095529066 559086488 /nfs/dbraw/zinc/08/64/88/559086488.db2.gz ZDIYEPLFXZUPKY-IBGZPJMESA-N 1 0 402.539 2.286 50 0 HEAARO CC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1 ZINC000004851681 559191212 /nfs/dbraw/zinc/19/12/12/559191212.db2.gz DUEPZCMRDQTGAW-UHFFFAOYSA-N 1 0 414.531 2.227 50 0 HEAARO CC[NH+](CC)CCCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000004941604 559213720 /nfs/dbraw/zinc/21/37/20/559213720.db2.gz BJMGNSAGAVKMLJ-UHFFFAOYSA-N 1 0 401.536 2.406 50 0 HEAARO Cc1oc(-c2ccccc2C)nc1CS(=O)(=O)CC(=O)NCCC[NH+]1CCCC1 ZINC000005058499 559238758 /nfs/dbraw/zinc/23/87/58/559238758.db2.gz KFJXYAFIMZQKDN-UHFFFAOYSA-N 1 0 419.547 2.475 50 0 HEAARO Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000011898734 559265501 /nfs/dbraw/zinc/26/55/01/559265501.db2.gz QHZFJTFJAWGROV-SFHVURJKSA-N 1 0 412.490 2.426 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)[NH2+][C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345748 560569967 /nfs/dbraw/zinc/56/99/67/560569967.db2.gz RGQPXDXCEJXXTL-DLRJPAPCSA-N 1 0 419.909 2.143 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2c1cccc2Cl ZINC000005345816 560569988 /nfs/dbraw/zinc/56/99/88/560569988.db2.gz KYZBMKUVKDJACM-YUWJWYLASA-N 1 0 419.909 2.143 50 0 HEAARO COc1cccc([C@@H](CNC(=O)Nc2ccc(S(N)(=O)=O)cc2)[NH+]2CCCC2)c1 ZINC000018180649 560781679 /nfs/dbraw/zinc/78/16/79/560781679.db2.gz XXTPRJUWHHTUAK-LJQANCHMSA-N 1 0 418.519 2.301 50 0 HEAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000101373660 560793474 /nfs/dbraw/zinc/79/34/74/560793474.db2.gz SBYUXGGRFDJVNP-UHFFFAOYSA-N 1 0 405.539 2.018 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000024443771 560819758 /nfs/dbraw/zinc/81/97/58/560819758.db2.gz UYAMNWDMXWUSSK-FQEVSTJZSA-N 1 0 401.532 2.179 50 0 HEAARO CN(CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)[C@H](CCO)c1ccccc1 ZINC000107064511 560895181 /nfs/dbraw/zinc/89/51/81/560895181.db2.gz IUALBJSYERBZKF-NHCUHLMSSA-N 1 0 416.543 2.262 50 0 HEAARO O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000048300027 568437247 /nfs/dbraw/zinc/43/72/47/568437247.db2.gz PTNJPCIQRHHZPL-QGZVFWFLSA-N 1 0 404.308 2.392 50 0 HEAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)Cc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000048843691 568443495 /nfs/dbraw/zinc/44/34/95/568443495.db2.gz BVVWDPDHZULIPO-UHFFFAOYSA-N 1 0 409.530 2.454 50 0 HEAARO Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000049543992 568451225 /nfs/dbraw/zinc/45/12/25/568451225.db2.gz YLXBTJUVWFHKAD-LJQANCHMSA-N 1 0 419.485 2.009 50 0 HEAARO Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1C ZINC000008431137 568500978 /nfs/dbraw/zinc/50/09/78/568500978.db2.gz ONDOFNRFXDGFCH-UHFFFAOYSA-N 1 0 403.548 2.350 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284058 568596887 /nfs/dbraw/zinc/59/68/87/568596887.db2.gz RLQHEAKHHIFDLV-OXQOHEQNSA-N 1 0 400.523 2.274 50 0 HEAARO CC[NH+]1CCN(CCNC(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)CC1 ZINC000020514653 568622420 /nfs/dbraw/zinc/62/24/20/568622420.db2.gz KGMFOCBEUNCUGW-NDEPHWFRSA-N 1 0 403.548 2.263 50 0 HEAARO CCOC(=O)c1oc2ccc(S(=O)(=O)NCC3(COC)CC[NH2+]CC3)cc2c1C ZINC000225428704 568637311 /nfs/dbraw/zinc/63/73/11/568637311.db2.gz JPYHSGXMURYABD-UHFFFAOYSA-N 1 0 424.519 2.212 50 0 HEAARO COc1ccc(-c2coc3cc(OCCN4CC[NH+](CCO)CC4)ccc3c2=O)cc1 ZINC000020621913 568638312 /nfs/dbraw/zinc/63/83/12/568638312.db2.gz IESPVSPGTXANQQ-UHFFFAOYSA-N 1 0 424.497 2.457 50 0 biogenic HEAARO C[NH+]1CCN(CCCNC(=O)c2cnn(-c3cccc(F)c3)c2-n2cccc2)CC1 ZINC000020980616 568654531 /nfs/dbraw/zinc/65/45/31/568654531.db2.gz WSYCGIFGIXMOAL-UHFFFAOYSA-N 1 0 410.497 2.169 50 0 HEAARO C[C@H](C[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1)Cc1ccccc1 ZINC000096013617 568685376 /nfs/dbraw/zinc/68/53/76/568685376.db2.gz PKKLOEZGSQXPHV-IBGZPJMESA-N 1 0 402.564 2.002 50 0 HEAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2C)N2CC[NH+](C)CC2)cc1 ZINC000022579359 568770525 /nfs/dbraw/zinc/77/05/25/568770525.db2.gz UPGVPXZNYMESBT-FQEVSTJZSA-N 1 0 421.538 2.410 50 0 HEAARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582853 568770931 /nfs/dbraw/zinc/77/09/31/568770931.db2.gz OOJPWIUEDBXIRV-QFIPXVFZSA-N 1 0 424.545 2.437 50 0 HEAARO Cc1ccn(CC[NH+]2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299760275 568873048 /nfs/dbraw/zinc/87/30/48/568873048.db2.gz IRHRLTNENBIIBT-OAQYLSRUSA-N 1 0 416.497 2.101 50 0 HEAARO O=c1c(C[NH2+]CCn2cncn2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000299767432 568873953 /nfs/dbraw/zinc/87/39/53/568873953.db2.gz RQAWFFORAVAPNN-UHFFFAOYSA-N 1 0 421.432 2.299 50 0 HEAARO O=C(c1cn2cc(Cl)ccc2n1)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299769590 568874134 /nfs/dbraw/zinc/87/41/34/568874134.db2.gz OAPXWXJKRKHVFG-UHFFFAOYSA-N 1 0 403.914 2.148 50 0 HEAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccccc1Cl ZINC000299786825 568875524 /nfs/dbraw/zinc/87/55/24/568875524.db2.gz NXPFSKZYBRQFDY-KRWDZBQOSA-N 1 0 405.926 2.314 50 0 HEAARO COCCN1C[C@@H](C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC1=O ZINC000299791164 568875876 /nfs/dbraw/zinc/87/58/76/568875876.db2.gz CRVVCLUPSYLSPB-OAHLLOKOSA-N 1 0 400.441 2.484 50 0 HEAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ccc(Cl)o1 ZINC000299798703 568876487 /nfs/dbraw/zinc/87/64/87/568876487.db2.gz SAZXNLGLIRARKV-MRXNPFEDSA-N 1 0 409.914 2.012 50 0 HEAARO CS(=O)(=O)c1ccc(C2(C(=O)NCC[N@@H+]3CCCC[C@H]3CO)CCCCC2)cc1 ZINC000670439268 568882749 /nfs/dbraw/zinc/88/27/49/568882749.db2.gz PPEQLDZZSORWBK-IBGZPJMESA-N 1 0 422.591 2.255 50 0 HEAARO COc1cccc(N2C[C@@H](C(=O)N3CCC(CC[NH+]4CCOCC4)CC3)CC2=O)c1 ZINC000058439892 568918873 /nfs/dbraw/zinc/91/88/73/568918873.db2.gz MYYVSJNMCLVPQI-IBGZPJMESA-N 1 0 415.534 2.009 50 0 HEAARO O=C(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3)c1cccc(-c2ncc[nH]2)c1 ZINC000670455393 568931474 /nfs/dbraw/zinc/93/14/74/568931474.db2.gz RLFXILMSMGNZCJ-YAQMXYOYSA-N 1 0 413.525 2.374 50 0 HEAARO COc1cc(C(=O)NCCC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1OC ZINC000004111953 568944137 /nfs/dbraw/zinc/94/41/37/568944137.db2.gz SQXDINGGQNEVQW-MRXNPFEDSA-N 1 0 421.538 2.213 50 0 HEAARO CC[NH+](CC)CCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000015674898 568962926 /nfs/dbraw/zinc/96/29/26/568962926.db2.gz SZJKLHPFTCWVPW-UHFFFAOYSA-N 1 0 401.511 2.420 50 0 HEAARO COc1cccc(CN2CCN(Cc3cccc(OCCO)c3)C[C@H]2CCO)c1 ZINC000104372627 569008421 /nfs/dbraw/zinc/00/84/21/569008421.db2.gz CBGCVDFOWMJGGN-OAQYLSRUSA-N 1 0 400.519 2.135 50 0 HEAARO C[C@H](CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(N(C)C)c1)c1ccccc1 ZINC000015864121 569016328 /nfs/dbraw/zinc/01/63/28/569016328.db2.gz FWRCQONHRVVCON-LJQANCHMSA-N 1 0 408.546 2.430 50 0 HEAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]([C@@H](C)O)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000016026638 569026591 /nfs/dbraw/zinc/02/65/91/569026591.db2.gz QMLNGBPKBHKELV-MJEGUIRGSA-N 1 0 415.877 2.494 50 0 HEAARO C[N@H+](CCCNC(=O)c1nc(CS(=O)(=O)c2ccccc2)no1)C1CCCCC1 ZINC000035562484 569045147 /nfs/dbraw/zinc/04/51/47/569045147.db2.gz TWAJNSHTUHJKPF-UHFFFAOYSA-N 1 0 420.535 2.428 50 0 HEAARO CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)NC)ccc2C)[NH+](C)C)cc1 ZINC000013015651 569050873 /nfs/dbraw/zinc/05/08/73/569050873.db2.gz CWKKTMFWTUIZEN-HXUWFJFHSA-N 1 0 403.548 2.498 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)c2ccn3c(c2)nnc3-c2cccc(Cl)c2)CC1 ZINC000064459964 569063063 /nfs/dbraw/zinc/06/30/63/569063063.db2.gz MBHXIUKTXXDKMV-UHFFFAOYSA-N 1 0 412.925 2.417 50 0 HEAARO COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)NCC[NH+](C)C)cc1OC ZINC000027018237 569070423 /nfs/dbraw/zinc/07/04/23/569070423.db2.gz DKYYAJRAWBFMIK-XMHGGMMESA-N 1 0 411.502 2.461 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+](CC)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000035991426 569074567 /nfs/dbraw/zinc/07/45/67/569074567.db2.gz JTWJSAAUKDOEGV-FQEVSTJZSA-N 1 0 400.523 2.228 50 0 HEAARO COCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015392 569076558 /nfs/dbraw/zinc/07/65/58/569076558.db2.gz ISTNXWPWNZVQAO-UHFFFAOYSA-N 1 0 416.522 2.115 50 0 HEAARO COc1cccc(-c2nc3cnccn3c2NCCC(=O)NC2CC[NH+](C)CC2)c1 ZINC000064759195 569090586 /nfs/dbraw/zinc/09/05/86/569090586.db2.gz NLWNTZIFVBJNNG-UHFFFAOYSA-N 1 0 408.506 2.417 50 0 HEAARO COc1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000006712081 569097218 /nfs/dbraw/zinc/09/72/18/569097218.db2.gz XGFOGZUESGTPRY-UHFFFAOYSA-N 1 0 411.911 2.327 50 0 HEAARO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1C[NH+]1CCCCCC1 ZINC000006908096 569178743 /nfs/dbraw/zinc/17/87/43/569178743.db2.gz IHEFVTGXKWXUJN-UHFFFAOYSA-N 1 0 406.552 2.453 50 0 HEAARO Cc1c2c(nn1-c1ccccc1)c(=O)n(CC(=O)NCC[N@H+]1CCCC[C@H]1C)nc2C ZINC000006943729 569186948 /nfs/dbraw/zinc/18/69/48/569186948.db2.gz YTRRBOPLEJVXIL-MRXNPFEDSA-N 1 0 422.533 2.190 50 0 HEAARO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000006974117 569193018 /nfs/dbraw/zinc/19/30/18/569193018.db2.gz KBJKXUAMAHTVPO-UHFFFAOYSA-N 1 0 418.544 2.251 50 0 HEAARO CC(C)[NH+]1CCN(C(=O)c2ccc(-n3cc(CNC(=O)C4CCC4)cn3)cc2)CC1 ZINC000065213288 569197403 /nfs/dbraw/zinc/19/74/03/569197403.db2.gz REFFHYBUHBHZCL-UHFFFAOYSA-N 1 0 409.534 2.455 50 0 HEAARO CC(C)C[NH+]1CCN(C(=O)c2cn(-c3cc(N4CCC(C)CC4)ncn3)cn2)CC1 ZINC000065239821 569203465 /nfs/dbraw/zinc/20/34/65/569203465.db2.gz KLTOGGGTRJDHPD-UHFFFAOYSA-N 1 0 411.554 2.312 50 0 HEAARO CCOC(=O)N1CCN(C(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000065255746 569207920 /nfs/dbraw/zinc/20/79/20/569207920.db2.gz DSWYDQNWRUOSOZ-FQEVSTJZSA-N 1 0 423.517 2.147 50 0 HEAARO CC(C)Cn1c(=O)c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)nc2cccnc21 ZINC000065282924 569216354 /nfs/dbraw/zinc/21/63/54/569216354.db2.gz SDGSUIKKQPUQJL-UHFFFAOYSA-N 1 0 405.502 2.236 50 0 HEAARO O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000065499464 569232609 /nfs/dbraw/zinc/23/26/09/569232609.db2.gz DQPUICHZYFTAJX-IAGOWNOFSA-N 1 0 406.324 2.499 50 0 HEAARO Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)N(C)CC[N@H+](C)C2CC2)c(C)c1C ZINC000170598376 569242392 /nfs/dbraw/zinc/24/23/92/569242392.db2.gz RKBZHTDXGSMKOP-UHFFFAOYSA-N 1 0 409.596 2.450 50 0 HEAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520398 569260290 /nfs/dbraw/zinc/26/02/90/569260290.db2.gz ZZXVTAOFUCETEJ-HXUWFJFHSA-N 1 0 413.497 2.366 50 0 HEAARO Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000017012735 569271612 /nfs/dbraw/zinc/27/16/12/569271612.db2.gz VDAIINBATIYHAN-UHFFFAOYSA-N 1 0 405.499 2.035 50 0 HEAARO Cc1cc(C)n(CCC(=O)N2C[C@@H](c3nc(C4CC4)no3)C3(C2)CC[NH+](C)CC3)n1 ZINC000097086969 569279597 /nfs/dbraw/zinc/27/95/97/569279597.db2.gz QAYMMUQMORCESF-SFHVURJKSA-N 1 0 412.538 2.488 50 0 HEAARO O=C([C@@H]1CCN(c2ccccc2Br)C1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252467431 569287131 /nfs/dbraw/zinc/28/71/31/569287131.db2.gz KNNBOSIAGUCNBE-GJZGRUSLSA-N 1 0 406.324 2.499 50 0 HEAARO CC(C)c1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000002131908 569287170 /nfs/dbraw/zinc/28/71/70/569287170.db2.gz OQGAUEAFOSLNDR-JXFKEZNVSA-N 1 0 416.566 2.475 50 0 biogenic HEAARO O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000252539875 569293322 /nfs/dbraw/zinc/29/33/22/569293322.db2.gz OPJCKHVDTAHVAZ-OAQYLSRUSA-N 1 0 420.513 2.482 50 0 HEAARO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000252550796 569294139 /nfs/dbraw/zinc/29/41/39/569294139.db2.gz SXUHDMPPIKFTCN-SJORKVTESA-N 1 0 423.355 2.381 50 0 HEAARO O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000252570583 569294332 /nfs/dbraw/zinc/29/43/32/569294332.db2.gz WVJJWTZEDHNRFR-BPQIPLTHSA-N 1 0 402.495 2.065 50 0 HEAARO COc1ccc(CN2C(=O)N[C@H](CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2=O)cc1 ZINC000252572572 569294492 /nfs/dbraw/zinc/29/44/92/569294492.db2.gz ZKYRGLSMIXUZLN-QGZVFWFLSA-N 1 0 416.522 2.136 50 0 HEAARO CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000170676611 569297937 /nfs/dbraw/zinc/29/79/37/569297937.db2.gz UMSWQBBIUCAKMD-XJKSGUPXSA-N 1 0 421.485 2.206 50 0 HEAARO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000007683563 569300546 /nfs/dbraw/zinc/30/05/46/569300546.db2.gz VUBOAJSBIILNOJ-INIZCTEOSA-N 1 0 423.966 2.493 50 0 HEAARO CCn1nccc1C(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCN(C(C)C)CC1)CCO2 ZINC000581820207 569321050 /nfs/dbraw/zinc/32/10/50/569321050.db2.gz XYJUJOBKWSITEC-IBGZPJMESA-N 1 0 403.571 2.083 50 0 HEAARO COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCC2(CC1)OCCO2 ZINC000002261687 569325305 /nfs/dbraw/zinc/32/53/05/569325305.db2.gz ADHUVMWOLLHDOM-UHFFFAOYSA-N 1 0 405.426 2.261 50 0 HEAARO CCOc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[nH]c(=O)c3CC2)cc1OC ZINC000019533910 569326832 /nfs/dbraw/zinc/32/68/32/569326832.db2.gz CBMKUZXVKYNYMU-UHFFFAOYSA-N 1 0 414.506 2.027 50 0 HEAARO CC(C)[NH+](CCNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(C)C ZINC000013017643 569407407 /nfs/dbraw/zinc/40/74/07/569407407.db2.gz JWQSTVDZPFVFLR-UHFFFAOYSA-N 1 0 420.579 2.083 50 0 HEAARO Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)N[C@H]4CCCCNC4=O)C3)no2)cc1 ZINC000245238089 571219519 /nfs/dbraw/zinc/21/95/19/571219519.db2.gz QUGIGWWTDAMBGO-MSOLQXFVSA-N 1 0 411.506 2.042 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000009482290 571262166 /nfs/dbraw/zinc/26/21/66/571262166.db2.gz NLIDYBIGTXEDPV-IBGZPJMESA-N 1 0 422.529 2.198 50 0 HEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2[nH]nc3c2CCc2ccccc2-3)CC1 ZINC000009728146 571282683 /nfs/dbraw/zinc/28/26/83/571282683.db2.gz FAJUEZQQYYALQC-UHFFFAOYSA-N 1 0 407.518 2.121 50 0 HEAARO CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)n(Cc2ccccc2C)c(=O)n1C ZINC000010233405 571297615 /nfs/dbraw/zinc/29/76/15/571297615.db2.gz SJZYVPHBOINWOJ-UHFFFAOYSA-N 1 0 422.533 2.156 50 0 HEAARO COc1ccccc1CNC(=O)C(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104288 571311643 /nfs/dbraw/zinc/31/16/43/571311643.db2.gz XASCWIUAEHMIRV-UHFFFAOYSA-N 1 0 401.532 2.369 50 0 HEAARO COc1ccc(CCC(=O)N2CCC3(CC2)C[C@@H]([NH+]2CCN(C)CC2)CCO3)cc1 ZINC000581784157 1078763880 /nfs/dbraw/zinc/76/38/80/1078763880.db2.gz HKHFBWQDFMELGH-NRFANRHFSA-N 1 0 415.578 2.415 50 0 HEAARO O=C(CCc1nc2ccccc2[nH]1)N1CCC2(CC1)C[C@H]([NH+]1CCOCC1)CCO2 ZINC000581784013 1078763935 /nfs/dbraw/zinc/76/39/35/1078763935.db2.gz WTOWMPPYQBJDNQ-GOSISDBHSA-N 1 0 412.534 2.368 50 0 HEAARO C[N@@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CCN(C(=O)Nc1ccccc1F)CC2 ZINC000581802263 1078771673 /nfs/dbraw/zinc/77/16/73/1078771673.db2.gz CPJBHUKDMLFPRP-SFHVURJKSA-N 1 0 404.486 2.003 50 0 HEAARO COCCO[C@H]1C[N@H+](C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C12CCCCC2 ZINC000581802465 1078772469 /nfs/dbraw/zinc/77/24/69/1078772469.db2.gz KPSDMTXPZKXBIS-FQEVSTJZSA-N 1 0 404.555 2.383 50 0 HEAARO C[NH+](C)CC1(O)CCC2(CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000581791326 1078774594 /nfs/dbraw/zinc/77/45/94/1078774594.db2.gz YWDCFLVCEUOFRY-UHFFFAOYSA-N 1 0 424.592 2.329 50 0 HEAARO C[NH+]1CCN(CCCNC(=O)CC2=C3CCCC[C@@H]3N(Cc3ccccc3)C2=O)CC1 ZINC000581793362 1078776152 /nfs/dbraw/zinc/77/61/52/1078776152.db2.gz XAUIMIOWWGOFLB-QHCPKHFHSA-N 1 0 424.589 2.412 50 0 HEAARO CN(C)C(=O)c1ccc(N2CCC([N@@H+]3CCCN(c4ncccn4)CC3)CC2)cc1 ZINC000011790346 132350762 /nfs/dbraw/zinc/35/07/62/132350762.db2.gz IIUBKNRKKUSCQL-UHFFFAOYSA-N 1 0 408.550 2.360 50 0 HEAARO COc1cccc(C(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)c1OC ZINC000017012512 132464691 /nfs/dbraw/zinc/46/46/91/132464691.db2.gz JVKXOAGYQDYCNU-UHFFFAOYSA-N 1 0 411.506 2.365 50 0 HEAARO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC[C@H](c3ccc(CC)cc3)[NH+](C)C)cnc21 ZINC000032734773 521614846 /nfs/dbraw/zinc/61/48/46/521614846.db2.gz KYFZRHAYDKPZND-LJQANCHMSA-N 1 0 423.517 2.090 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000032974387 521679500 /nfs/dbraw/zinc/67/95/00/521679500.db2.gz VMPSLCNLENBVBL-UHFFFAOYSA-N 1 0 406.615 2.339 50 0 HEAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(I)cc2)CC1 ZINC000041443470 521681528 /nfs/dbraw/zinc/68/15/28/521681528.db2.gz VBEMQGHMDUZARN-UHFFFAOYSA-N 1 0 401.292 2.049 50 0 HEAARO COCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966855 523239478 /nfs/dbraw/zinc/23/94/78/523239478.db2.gz BTJHUZFLRWNNDC-UHFFFAOYSA-N 1 0 401.429 2.006 50 0 HEAARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766361 524268461 /nfs/dbraw/zinc/26/84/61/524268461.db2.gz CXJQJLUDIRIYMS-SFHVURJKSA-N 1 0 400.548 2.408 50 0 HEAARO C[C@H]1NC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000032655464 525007867 /nfs/dbraw/zinc/00/78/67/525007867.db2.gz PROZCSZSWXDMTO-QGZVFWFLSA-N 1 0 405.502 2.106 50 0 HEAARO O=C(CC(F)(F)F)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020600334 526322229 /nfs/dbraw/zinc/32/22/29/526322229.db2.gz OGAKWSOHRGMKEH-MRXNPFEDSA-N 1 0 413.440 2.476 50 0 HEAARO O=C(CCN(CCc1ccccc1)C(=O)c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000045966662 526475821 /nfs/dbraw/zinc/47/58/21/526475821.db2.gz BDHGXOXYAPDTTF-UHFFFAOYSA-N 1 0 401.457 2.472 50 0 HEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O ZINC000009917360 536048360 /nfs/dbraw/zinc/04/83/60/536048360.db2.gz YMDTUYRHLNFZSI-UHFFFAOYSA-N 1 0 401.532 2.390 50 0 HEAARO CCn1cc(C[NH2+]C2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)cn1 ZINC000011786002 536070374 /nfs/dbraw/zinc/07/03/74/536070374.db2.gz FEARHQGXYFMNNG-JOCHJYFZSA-N 1 0 411.550 2.259 50 0 HEAARO CCCC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)NCc3ccccc3)co2)CC1 ZINC000034677083 557364100 /nfs/dbraw/zinc/36/41/00/557364100.db2.gz QHLCSWHAUUJEIQ-LJQANCHMSA-N 1 0 400.523 2.273 50 0 HEAARO CCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1 ZINC000034912256 557486856 /nfs/dbraw/zinc/48/68/56/557486856.db2.gz OUCBTVDTHZORLY-UHFFFAOYSA-N 1 0 413.562 2.424 50 0 HEAARO O[C@H](C[NH2+]C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000004213946 557529184 /nfs/dbraw/zinc/52/91/84/557529184.db2.gz KOHIRBRYDXPAMZ-UDKICSLYSA-N 1 0 405.441 2.364 50 0 fda HEAARO COCCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c1=O ZINC000022697632 557784285 /nfs/dbraw/zinc/78/42/85/557784285.db2.gz CALDGEUJFQPAGP-HXUWFJFHSA-N 1 0 405.926 2.499 50 0 HEAARO COc1ccc([C@H](CNS(=O)(=O)c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794984 557822261 /nfs/dbraw/zinc/82/22/61/557822261.db2.gz CSLHDJKUBBKKPT-FQEVSTJZSA-N 1 0 407.511 2.101 50 0 HEAARO COc1ccc([C@@H](CNS(=O)(=O)c2ccc(F)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794992 557822388 /nfs/dbraw/zinc/82/23/88/557822388.db2.gz CSLHDJKUBBKKPT-HXUWFJFHSA-N 1 0 407.511 2.101 50 0 HEAARO COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022795390 557822554 /nfs/dbraw/zinc/82/25/54/557822554.db2.gz DVNDYLIAXASXDZ-NRFANRHFSA-N 1 0 410.518 2.047 50 0 HEAARO COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2C)N2CC[NH+](C)CC2)cc1 ZINC000022795457 557822566 /nfs/dbraw/zinc/82/25/66/557822566.db2.gz RJBFDGCELYGYSW-OAQYLSRUSA-N 1 0 410.518 2.047 50 0 HEAARO Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000022796134 557823005 /nfs/dbraw/zinc/82/30/05/557823005.db2.gz WNYBUMOVALHFQG-HXUWFJFHSA-N 1 0 412.509 2.486 50 0 HEAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1OC ZINC000011762943 558273661 /nfs/dbraw/zinc/27/36/61/558273661.db2.gz QBMFZALGAXZALU-GOSISDBHSA-N 1 0 404.507 2.447 50 0 HEAARO COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1OC1CCN(C(C)=O)CC1 ZINC000019841342 558294244 /nfs/dbraw/zinc/29/42/44/558294244.db2.gz FJNVWNVWACVBLD-HXUWFJFHSA-N 1 0 417.550 2.497 50 0 HEAARO COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000011911534 558296858 /nfs/dbraw/zinc/29/68/58/558296858.db2.gz USDHNGNERPWZBT-MRXNPFEDSA-N 1 0 413.522 2.202 50 0 HEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CN1CCC(O)CC1 ZINC000011996695 558306928 /nfs/dbraw/zinc/30/69/28/558306928.db2.gz UZBTXGNANGUCPF-HXUWFJFHSA-N 1 0 405.558 2.385 50 0 HEAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CCn1cnnn1 ZINC000012029686 558311045 /nfs/dbraw/zinc/31/10/45/558311045.db2.gz MBGCBPVMSZTUQU-KRWDZBQOSA-N 1 0 424.471 2.495 50 0 HEAARO CN(CC[NH+](C)C)C(=O)c1cccc(OC2CCN(C(=O)c3cscn3)CC2)c1 ZINC000012112010 558326352 /nfs/dbraw/zinc/32/63/52/558326352.db2.gz YIOMWUXXOWCSDT-UHFFFAOYSA-N 1 0 416.547 2.460 50 0 HEAARO CC(C)C[C@H](NC(=O)C[NH+](C)C)c1nnc2n1CCN(C(=O)C1CCCCC1)CC2 ZINC000012154966 558339873 /nfs/dbraw/zinc/33/98/73/558339873.db2.gz NGGKGPYUWQDKNK-SFHVURJKSA-N 1 0 418.586 2.008 50 0 HEAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccs3)[N@@H+](C3CCCC3)C2)nn1 ZINC000012164854 558342224 /nfs/dbraw/zinc/34/22/24/558342224.db2.gz OFJLBVUOVQPJKU-PBHICJAKSA-N 1 0 403.508 2.001 50 0 HEAARO COc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000020208670 558347159 /nfs/dbraw/zinc/34/71/59/558347159.db2.gz JTMNIXJMAGCICP-IBGZPJMESA-N 1 0 422.472 2.335 50 0 HEAARO C[C@@H](c1ccon1)N(C)Cc1c(C(=O)N2CCC[N@H+](C)CC2)nc2sccn12 ZINC000012301691 558371449 /nfs/dbraw/zinc/37/14/49/558371449.db2.gz FFMNVIYFPXMFGW-AWEZNQCLSA-N 1 0 402.524 2.355 50 0 HEAARO Cc1n[nH]cc1C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1 ZINC000012302567 558372385 /nfs/dbraw/zinc/37/23/85/558372385.db2.gz FZSBIUKLFIOPJQ-LJQANCHMSA-N 1 0 409.534 2.351 50 0 HEAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccc(F)cc32)[C@@H]2C(=O)N(C3CCCC3)C(=O)[C@@H]21 ZINC000020517771 558383092 /nfs/dbraw/zinc/38/30/92/558383092.db2.gz KRMINIISJISQMD-DLRJPAPCSA-N 1 0 417.506 2.242 50 0 HEAARO Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000021793836 558449236 /nfs/dbraw/zinc/44/92/36/558449236.db2.gz FMYUYSRZBXFQQN-UHFFFAOYSA-N 1 0 401.898 2.237 50 0 HEAARO C[NH+](C)CCCN(C(=O)CN1C(=O)CCC1=O)c1nc2c(cc(F)cc2F)s1 ZINC000004359818 558457039 /nfs/dbraw/zinc/45/70/39/558457039.db2.gz ABQRTFNTXVZKLS-UHFFFAOYSA-N 1 0 410.446 2.008 50 0 HEAARO CCOC(=O)N1CCN(Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000012725578 558457173 /nfs/dbraw/zinc/45/71/73/558457173.db2.gz GHTYYFHWUZRTGZ-FQEVSTJZSA-N 1 0 405.539 2.186 50 0 HEAARO CCOC(=O)N1CCN(Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)CC1 ZINC000012725580 558457197 /nfs/dbraw/zinc/45/71/97/558457197.db2.gz GHTYYFHWUZRTGZ-HXUWFJFHSA-N 1 0 405.539 2.186 50 0 HEAARO O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012938159 558486860 /nfs/dbraw/zinc/48/68/60/558486860.db2.gz DOLJJAJHUNBOIQ-QGZVFWFLSA-N 1 0 412.515 2.095 50 0 HEAARO CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000022938860 558527786 /nfs/dbraw/zinc/52/77/86/558527786.db2.gz GOAAUPBHWVHEHC-HXUWFJFHSA-N 1 0 413.518 2.446 50 0 HEAARO C[C@@H]1Cc2cc(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)ccc2N1S(C)(=O)=O ZINC000023133192 558537346 /nfs/dbraw/zinc/53/73/46/558537346.db2.gz AJAHPHLUQWPGFC-FZKQIMNGSA-N 1 0 407.561 2.491 50 0 HEAARO Cc1ncc(CN2CCC([NH+]3CCC(C(=O)NC[C@@H]4CCCO4)CC3)CC2)s1 ZINC000023214984 558542790 /nfs/dbraw/zinc/54/27/90/558542790.db2.gz LHMLZFRHACEVDT-IBGZPJMESA-N 1 0 406.596 2.423 50 0 HEAARO Cn1c(=O)c2c(SCC[NH+](C)C)nc(-c3ccc(Cl)cc3)nc2n(C)c1=O ZINC000013732698 558587189 /nfs/dbraw/zinc/58/71/89/558587189.db2.gz USGPMLYAZPFTMX-UHFFFAOYSA-N 1 0 405.911 2.001 50 0 HEAARO O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc(O)cc2)C1 ZINC000014534541 558657622 /nfs/dbraw/zinc/65/76/22/558657622.db2.gz LFQONOWKCKXBRU-SJBKTWHCSA-N 1 0 401.551 2.221 50 0 HEAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(=O)OC)C(=O)N2CCc1ccccc1 ZINC000014748305 558670044 /nfs/dbraw/zinc/67/00/44/558670044.db2.gz HTSMODGGUFFKOC-QGZVFWFLSA-N 1 0 401.507 2.299 50 0 HEAARO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(SC)cc1)CC2 ZINC000014882731 558676612 /nfs/dbraw/zinc/67/66/12/558676612.db2.gz DWJFRBCABIMMMI-OAHLLOKOSA-N 1 0 403.552 2.272 50 0 HEAARO Cc1ccsc1C[N@H+]1CCc2nnc(CNC(=O)COc3ccccc3)n2CC1 ZINC000014995308 558696063 /nfs/dbraw/zinc/69/60/63/558696063.db2.gz XNTJUOBCFKDZGR-UHFFFAOYSA-N 1 0 411.531 2.402 50 0 HEAARO Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000015671283 558748455 /nfs/dbraw/zinc/74/84/55/558748455.db2.gz KPMHZIYXYUNFKD-UHFFFAOYSA-N 1 0 419.526 2.425 50 0 HEAARO CC[NH+](CC)CCSc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cn1 ZINC000033115257 558761288 /nfs/dbraw/zinc/76/12/88/558761288.db2.gz JEBHOCWYTBSHLP-UHFFFAOYSA-N 1 0 400.552 2.268 50 0 HEAARO COCC[N@@H+]1CCc2nc3sc(SCC(=O)c4ccccc4)nn3c(=O)c2C1 ZINC000015922221 558762200 /nfs/dbraw/zinc/76/22/00/558762200.db2.gz JTZFRBRQJWUMIJ-UHFFFAOYSA-N 1 0 416.528 2.131 50 0 HEAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@]21C(=O)Nc2ccccc21 ZINC000016024724 558768688 /nfs/dbraw/zinc/76/86/88/558768688.db2.gz ILADSGPWFWVNAD-VKDGWMQASA-N 1 0 419.481 2.155 50 0 HEAARO O[C@H](C[NH2+]C[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1 ZINC000000607986 558827729 /nfs/dbraw/zinc/82/77/29/558827729.db2.gz KOHIRBRYDXPAMZ-GMQQQROESA-N 1 0 405.441 2.364 50 0 fda HEAARO COc1cccnc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071721692 558908036 /nfs/dbraw/zinc/90/80/36/558908036.db2.gz GFSWOPWEYLMPPO-KRWDZBQOSA-N 1 0 400.523 2.029 50 0 HEAARO O=C([C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)c3ccccc3)CC2)C1)N1CCCC1 ZINC000071751809 558909265 /nfs/dbraw/zinc/90/92/65/558909265.db2.gz HYTQXQRRBBQALM-GOSISDBHSA-N 1 0 405.564 2.174 50 0 HEAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c(C)c1 ZINC000019608379 558946617 /nfs/dbraw/zinc/94/66/17/558946617.db2.gz KWWHCYWNVHGLRC-LJQANCHMSA-N 1 0 405.568 2.200 50 0 HEAARO Cc1nonc1CN1C(=O)c2cccc(N3CC[NH+](Cc4ccccc4)CC3)c2C1=O ZINC000064103480 558962263 /nfs/dbraw/zinc/96/22/63/558962263.db2.gz GRAYXNOEOCOOSQ-UHFFFAOYSA-N 1 0 417.469 2.496 50 0 HEAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000064800242 558966115 /nfs/dbraw/zinc/96/61/15/558966115.db2.gz KTEPNUGRAZGILZ-UHFFFAOYSA-N 1 0 414.485 2.423 50 0 HEAARO Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)[nH+]1 ZINC000065364519 558975624 /nfs/dbraw/zinc/97/56/24/558975624.db2.gz HODNBTYOIWFWFT-UHFFFAOYSA-N 1 0 400.458 2.115 50 0 HEAARO Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH+]1 ZINC000065365138 558976178 /nfs/dbraw/zinc/97/61/78/558976178.db2.gz OURUWVSIDBMEGN-UHFFFAOYSA-N 1 0 415.563 2.427 50 0 HEAARO Cc1nc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(N2CCCC2)[nH+]1 ZINC000072434108 558979649 /nfs/dbraw/zinc/97/96/49/558979649.db2.gz RCTUZGWUGIRFQP-UHFFFAOYSA-N 1 0 410.478 2.468 50 0 HEAARO Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC[C@@H](C)C[NH+]3CCCC3)CC2)cc1 ZINC000072437286 558980681 /nfs/dbraw/zinc/98/06/81/558980681.db2.gz UHQSREPCUZPZQV-LJQANCHMSA-N 1 0 421.607 2.385 50 0 HEAARO COc1ccc(CNC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127522 559015872 /nfs/dbraw/zinc/01/58/72/559015872.db2.gz UIWDAJGJEFSDDX-UHFFFAOYSA-N 1 0 401.532 2.401 50 0 HEAARO Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(c3c[nH]c4ccccc43)CC1)c(=O)n2C ZINC000023185524 559030841 /nfs/dbraw/zinc/03/08/41/559030841.db2.gz OGWTZTFYHLNBKW-UHFFFAOYSA-N 1 0 420.517 2.185 50 0 HEAARO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082091465 559036988 /nfs/dbraw/zinc/03/69/88/559036988.db2.gz WXFQOBCPIBALEP-NRFANRHFSA-N 1 0 410.566 2.150 50 0 HEAARO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CCO1 ZINC000082121959 559039745 /nfs/dbraw/zinc/03/97/45/559039745.db2.gz JWFSIDUJSBITGU-HXUWFJFHSA-N 1 0 400.567 2.395 50 0 HEAARO CCN(CC)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000082138299 559040444 /nfs/dbraw/zinc/04/04/44/559040444.db2.gz YSGFDSORLVMIPN-LJQANCHMSA-N 1 0 401.555 2.336 50 0 HEAARO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCN(C(=O)N3CCCCC3)CC2)C1 ZINC000082147158 559040880 /nfs/dbraw/zinc/04/08/80/559040880.db2.gz GAJJFJGAWYPAOE-IBGZPJMESA-N 1 0 413.566 2.480 50 0 HEAARO Cc1ocnc1C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000082157296 559041510 /nfs/dbraw/zinc/04/15/10/559041510.db2.gz YGKXKPFQTAXFBS-KRWDZBQOSA-N 1 0 411.506 2.011 50 0 HEAARO Cc1ncn(-c2cc(NCCNS(=O)(=O)c3ccc(C)cc3)[nH+]c(C)n2)c1C ZINC000082230561 559042815 /nfs/dbraw/zinc/04/28/15/559042815.db2.gz LEUGPAKJDFLZQN-UHFFFAOYSA-N 1 0 400.508 2.286 50 0 HEAARO CN(Cc1cnccn1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000092062096 559075303 /nfs/dbraw/zinc/07/53/03/559075303.db2.gz MKRAQPMZZCNZEI-FQEVSTJZSA-N 1 0 408.550 2.207 50 0 HEAARO O=C(C[NH+]1CCCCCC1)N1CCC2(CCC(=O)N(CCc3c[nH]cn3)C2)CC1 ZINC000092097902 559075548 /nfs/dbraw/zinc/07/55/48/559075548.db2.gz VZXPLWZRKZESAL-UHFFFAOYSA-N 1 0 401.555 2.059 50 0 HEAARO COc1ccc(C(=O)N2CCCC2)c(OC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000095512386 559084257 /nfs/dbraw/zinc/08/42/57/559084257.db2.gz OTWVUNSVYVLVIW-IBGZPJMESA-N 1 0 401.507 2.053 50 0 HEAARO COc1ccc(CN(C)Cc2nccn2C)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095529065 559086435 /nfs/dbraw/zinc/08/64/35/559086435.db2.gz ZDIYEPLFXZUPKY-LJQANCHMSA-N 1 0 402.539 2.286 50 0 HEAARO COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCCCC2)cc1 ZINC000024023446 559187961 /nfs/dbraw/zinc/18/79/61/559187961.db2.gz MIFYANMQCOETCT-UHFFFAOYSA-N 1 0 413.474 2.268 50 0 HEAARO COC(=O)c1sccc1S(=O)(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225573807 559189243 /nfs/dbraw/zinc/18/92/43/559189243.db2.gz QGZDSOQEXVWPIX-CYBMUJFWSA-N 1 0 404.579 2.031 50 0 HEAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@H+](CCO)C[C@@H]12 ZINC000033428960 559190841 /nfs/dbraw/zinc/19/08/41/559190841.db2.gz BKTKCSYTIZBPQN-ISKFKSNPSA-N 1 0 404.514 2.443 50 0 HEAARO Cc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](C)C)c3c2CCC3)cc1F ZINC000004851733 559191203 /nfs/dbraw/zinc/19/12/03/559191203.db2.gz PNVHBDPYHNOXIL-UHFFFAOYSA-N 1 0 404.511 2.472 50 0 HEAARO C[NH+](C)CCCNC(=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000004941800 559213139 /nfs/dbraw/zinc/21/31/39/559213139.db2.gz KWRJGWZJTIWLFZ-UHFFFAOYSA-N 1 0 407.927 2.279 50 0 HEAARO CCc1nn(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c(=O)c2cc3sccc3n21 ZINC000005109021 559246836 /nfs/dbraw/zinc/24/68/36/559246836.db2.gz ASKXGWIBEWNKLT-AWEZNQCLSA-N 1 0 401.536 2.264 50 0 HEAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000409413197 559250558 /nfs/dbraw/zinc/25/05/58/559250558.db2.gz FPAIKKOANXNREN-LEWJYISDSA-N 1 0 412.538 2.075 50 0 HEAARO Cc1c(C)n(C2CCCC2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n12 ZINC000005252182 560551660 /nfs/dbraw/zinc/55/16/60/560551660.db2.gz LGEDWYHNZRLCNM-UHFFFAOYSA-N 1 0 412.538 2.367 50 0 HEAARO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)[NH2+][C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005345749 560569971 /nfs/dbraw/zinc/56/99/71/560569971.db2.gz RGQPXDXCEJXXTL-PZTGFMGMSA-N 1 0 419.909 2.143 50 0 HEAARO CN(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000010814703 560770745 /nfs/dbraw/zinc/77/07/45/560770745.db2.gz MPPXLLNEDXTNIX-UHFFFAOYSA-N 1 0 401.960 2.386 50 0 HEAARO COCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cn2cnnn2)cc1 ZINC000583648144 560778952 /nfs/dbraw/zinc/77/89/52/560778952.db2.gz FPAIKKOANXNREN-RTWAWAEBSA-N 1 0 412.538 2.075 50 0 HEAARO CN(C)[C@@H](CNc1c(=O)c(=O)c1N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000101696641 560798249 /nfs/dbraw/zinc/79/82/49/560798249.db2.gz KEOMFCGDGULYNF-FQEVSTJZSA-N 1 0 404.514 2.324 50 0 HEAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2N2CCN(c3ccc(F)cc3)CC2)CCCCC1 ZINC000101690873 560799362 /nfs/dbraw/zinc/79/93/62/560799362.db2.gz QSBQPBNNPRAQBK-UHFFFAOYSA-N 1 0 414.525 2.425 50 0 HEAARO CSc1cccc(N2C[C@@H](C(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000105653900 560876748 /nfs/dbraw/zinc/87/67/48/560876748.db2.gz USNCGMBRXBULGC-BBWFWOEESA-N 1 0 405.564 2.377 50 0 HEAARO Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCC[N@@H+](C)CC4)nc3)cn2)n1 ZINC000048248030 568433233 /nfs/dbraw/zinc/43/32/33/568433233.db2.gz NUKDQLAGOIFJJP-UHFFFAOYSA-N 1 0 419.533 2.351 50 0 HEAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000048265260 568433886 /nfs/dbraw/zinc/43/38/86/568433886.db2.gz SFQXDKSKLLVNDO-OXJNMPFZSA-N 1 0 403.548 2.368 50 0 HEAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCNC(=O)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000048332006 568439858 /nfs/dbraw/zinc/43/98/58/568439858.db2.gz ZOCBTAFRCADCIU-INMHGKMJSA-N 1 0 409.477 2.185 50 0 HEAARO Cc1nc(-n2cccc2)sc1C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000049006232 568444673 /nfs/dbraw/zinc/44/46/73/568444673.db2.gz LNWTUDXTRJIPSZ-UHFFFAOYSA-N 1 0 401.536 2.188 50 0 HEAARO Cn1c(=O)cc(SCC(=O)NCCCN2CC[NH+](C)CC2)c2cc(Cl)ccc21 ZINC000020280274 568596726 /nfs/dbraw/zinc/59/67/26/568596726.db2.gz JGHUEFYWRRTXLR-UHFFFAOYSA-N 1 0 422.982 2.038 50 0 HEAARO CCOC(=O)C1=C(CN2CC[NH+]([C@@H](C)CC)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020284055 568596916 /nfs/dbraw/zinc/59/69/16/568596916.db2.gz RLQHEAKHHIFDLV-OXJNMPFZSA-N 1 0 400.523 2.274 50 0 HEAARO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020379677 568602547 /nfs/dbraw/zinc/60/25/47/568602547.db2.gz VFONFGSEMATNSU-JOCHJYFZSA-N 1 0 422.529 2.100 50 0 HEAARO CCOC(=O)c1cc(C)sc1NC(=O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000095449873 568614135 /nfs/dbraw/zinc/61/41/35/568614135.db2.gz TYTHSCYEJUUBHO-QAPCUYQASA-N 1 0 422.595 2.130 50 0 HEAARO CCOC(=O)C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000020532081 568627802 /nfs/dbraw/zinc/62/78/02/568627802.db2.gz VKPOLAYMRWORLN-HXUWFJFHSA-N 1 0 403.523 2.435 50 0 HEAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(C)C)[NH2+][C@]21c2ccccc2NC1=O ZINC000020610793 568636951 /nfs/dbraw/zinc/63/69/51/568636951.db2.gz GWRJPJGBVZPRFD-AZXNSQLWSA-N 1 0 419.481 2.272 50 0 biogenic HEAARO C[NH+]1CCN([C@H](CNC(=O)c2c(F)cccc2F)c2ccc3c(c2)OCO3)CC1 ZINC000020614275 568637925 /nfs/dbraw/zinc/63/79/25/568637925.db2.gz RUQOIRPIKHMHJM-QGZVFWFLSA-N 1 0 403.429 2.412 50 0 HEAARO CCc1n[nH]c(=O)c(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1CC ZINC000225444194 568638445 /nfs/dbraw/zinc/63/84/45/568638445.db2.gz KYZWBBFXGSLUSF-INIZCTEOSA-N 1 0 400.548 2.242 50 0 HEAARO CCc1nn(CCCC(=O)NCC[NH+](CC)CC)c(=O)c2cc3oc(C)cc3n21 ZINC000020862382 568646295 /nfs/dbraw/zinc/64/62/95/568646295.db2.gz COWYMBXEVSRAOO-UHFFFAOYSA-N 1 0 401.511 2.351 50 0 HEAARO Cc1cc2c(cc1S(=O)(=O)N(CC[NH+](C)C)Cc1cccs1)OCC(=O)N2 ZINC000021108558 568667740 /nfs/dbraw/zinc/66/77/40/568667740.db2.gz ZPSFKLITMFHSAG-UHFFFAOYSA-N 1 0 409.533 2.140 50 0 HEAARO C[NH+](C)CCNC(=O)Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000096115846 568695418 /nfs/dbraw/zinc/69/54/18/568695418.db2.gz APNOFGWPFRPADX-UHFFFAOYSA-N 1 0 415.497 2.252 50 0 biogenic HEAARO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000021650731 568729069 /nfs/dbraw/zinc/72/90/69/568729069.db2.gz QKJNNYMLJKZHFA-UHFFFAOYSA-N 1 0 423.922 2.423 50 0 HEAARO O=C(NCC[NH+]1CCCC1)c1cc2n(n1)CCCN(Cc1ccc(Cl)cc1)C2=O ZINC000021934016 568762011 /nfs/dbraw/zinc/76/20/11/568762011.db2.gz FLCQFOZKVWDGMJ-UHFFFAOYSA-N 1 0 415.925 2.408 50 0 HEAARO CC(C)N1c2ccccc2[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1=O ZINC000096791762 568764814 /nfs/dbraw/zinc/76/48/14/568764814.db2.gz YTTHBHUULYGIOJ-QGZVFWFLSA-N 1 0 400.523 2.024 50 0 HEAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022582656 568770681 /nfs/dbraw/zinc/77/06/81/568770681.db2.gz SRHZQUAOJNAUQZ-NRFANRHFSA-N 1 0 410.518 2.047 50 0 HEAARO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C)c(F)c2)N2CC[NH+](C)CC2)cc1 ZINC000022582871 568770977 /nfs/dbraw/zinc/77/09/77/568770977.db2.gz CLWLDWOTUNLQGS-OAQYLSRUSA-N 1 0 412.509 2.486 50 0 HEAARO O=C1COc2ccc(S(=O)(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2N1 ZINC000029349930 568824848 /nfs/dbraw/zinc/82/48/48/568824848.db2.gz FMIBQVZDZKLXBM-UHFFFAOYSA-N 1 0 415.515 2.482 50 0 HEAARO CCOC(=O)c1c2c(sc1NCC(=O)N1CCOCC1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000003278420 568871369 /nfs/dbraw/zinc/87/13/69/568871369.db2.gz KRGJBWDDNHKIOW-UHFFFAOYSA-N 1 0 409.552 2.355 50 0 HEAARO O=C(NCc1cccs1)[C@@H]1C[C@@H](n2cnnn2)C[N@@H+]1C1C2CC3CC(C2)CC1C3 ZINC000299771730 568874420 /nfs/dbraw/zinc/87/44/20/568874420.db2.gz VZZRZMGEBJWEAO-XPRXYUEOSA-N 1 0 412.563 2.491 50 0 HEAARO CC(C)c1nnc(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)s1 ZINC000299779993 568875022 /nfs/dbraw/zinc/87/50/22/568875022.db2.gz OOGMFPVRJMGIKI-QGZVFWFLSA-N 1 0 407.584 2.423 50 0 HEAARO Cc1nccn1CC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299795399 568876208 /nfs/dbraw/zinc/87/62/08/568876208.db2.gz LHTSYFIRSAQOLF-OAQYLSRUSA-N 1 0 416.497 2.101 50 0 HEAARO O=C(NC[C@H]1CN(C2CC[NH+](C3CCC3)CC2)C(=O)CO1)c1ccc(Cl)cc1 ZINC000299797379 568876317 /nfs/dbraw/zinc/87/63/17/568876317.db2.gz ORAYAZCYYNHOMY-IBGZPJMESA-N 1 0 405.926 2.314 50 0 HEAARO Cc1ccc(C(=O)NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)s1 ZINC000299803045 568876710 /nfs/dbraw/zinc/87/67/10/568876710.db2.gz VIGGKHVAXVGMKZ-GOSISDBHSA-N 1 0 405.564 2.136 50 0 HEAARO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cc2ccccc2[nH]1 ZINC000299802162 568876712 /nfs/dbraw/zinc/87/67/12/568876712.db2.gz XZBGBYAZBACVRR-HXUWFJFHSA-N 1 0 424.545 2.247 50 0 HEAARO CC(=O)NCc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000003349215 568885158 /nfs/dbraw/zinc/88/51/58/568885158.db2.gz KQHCABZREKOCDJ-UHFFFAOYSA-N 1 0 401.532 2.266 50 0 HEAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000004101525 568942819 /nfs/dbraw/zinc/94/28/19/568942819.db2.gz FURGNSVWVPRYDK-HNNXBMFYSA-N 1 0 424.592 2.264 50 0 HEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272378 568957324 /nfs/dbraw/zinc/95/73/24/568957324.db2.gz YELZHZPQUNMNIF-GOSISDBHSA-N 1 0 424.545 2.437 50 0 HEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 ZINC000004272380 568957343 /nfs/dbraw/zinc/95/73/43/568957343.db2.gz YELZHZPQUNMNIF-SFHVURJKSA-N 1 0 424.545 2.437 50 0 HEAARO C[NH+](C)CCNC(=O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000008091165 568973422 /nfs/dbraw/zinc/97/34/22/568973422.db2.gz RQQIBTZTKFVMAB-UHFFFAOYSA-N 1 0 422.573 2.378 50 0 HEAARO COc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)[NH+](C)C)cc1 ZINC000008391361 568998277 /nfs/dbraw/zinc/99/82/77/568998277.db2.gz GTOKFCBZOYAXFZ-HXUWFJFHSA-N 1 0 419.547 2.287 50 0 HEAARO CCC[NH+]1CCN(CCCNC(=O)CCc2[nH]c(C)c(C(=O)OCC)c2C)CC1 ZINC000085698068 569007039 /nfs/dbraw/zinc/00/70/39/569007039.db2.gz AGZGDDDPBAPYMY-UHFFFAOYSA-N 1 0 406.571 2.275 50 0 HEAARO Cc1cccc(NC(=O)N2CCN(c3nc(N4CCN(C)CC4)cc(C)[nH+]3)CC2)c1 ZINC000015825181 569011389 /nfs/dbraw/zinc/01/13/89/569011389.db2.gz BXKGLQBHQLXORZ-UHFFFAOYSA-N 1 0 409.538 2.199 50 0 HEAARO COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCC[NH+](C)C)CC3)[nH]c2c1 ZINC000015868598 569017388 /nfs/dbraw/zinc/01/73/88/569017388.db2.gz RSQOXCOHJKGWIF-OAHLLOKOSA-N 1 0 400.523 2.343 50 0 HEAARO C[NH+](C)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 ZINC000012927874 569024083 /nfs/dbraw/zinc/02/40/83/569024083.db2.gz INGAEXNNEXXKFU-UHFFFAOYSA-N 1 0 407.580 2.468 50 0 HEAARO CCN(CC)C(=O)[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1OC(C)=O ZINC000000607730 569032869 /nfs/dbraw/zinc/03/28/69/569032869.db2.gz JSZILQVIPPROJI-GUDVDZBRSA-N 1 0 404.507 2.423 50 0 world HEAARO COc1cccc(C[C@H](C(=O)NCCC[N@@H+]2CCCC[C@H]2C)n2nnnc2C)c1 ZINC000241644518 569054913 /nfs/dbraw/zinc/05/49/13/569054913.db2.gz PRLNSIINHHTVHG-OXQOHEQNSA-N 1 0 400.527 2.155 50 0 HEAARO C[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000244594173 569056087 /nfs/dbraw/zinc/05/60/87/569056087.db2.gz DHTQHYOARHEAEV-IRXDYDNUSA-N 1 0 413.609 2.387 50 0 HEAARO COc1cccc(CN(C)CN2C(=O)NC3(CC(C)(C)[NH2+]C(C)(C)C3)C2=O)c1OC ZINC000006552271 569065262 /nfs/dbraw/zinc/06/52/62/569065262.db2.gz UGTUBMXHDKFYGK-UHFFFAOYSA-N 1 0 418.538 2.324 50 0 HEAARO CCc1ccc(CN2CCc3c(C(=O)N4CCO[C@@H](C[NH3+])C4)csc3C2)nc1 ZINC000426396044 569072696 /nfs/dbraw/zinc/07/26/96/569072696.db2.gz XUQBZIZVKIVZDU-KRWDZBQOSA-N 1 0 400.548 2.064 50 0 HEAARO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCCC2)c1=O)CCCC3 ZINC000006661382 569085365 /nfs/dbraw/zinc/08/53/65/569085365.db2.gz FOQMCHVSQJCOOI-UHFFFAOYSA-N 1 0 419.547 2.153 50 0 HEAARO Cn1c2c(C(=O)NCc3ccco3)cnn2c(=O)c2c1CC[N@H+](Cc1ccccc1)C2 ZINC000064836094 569104573 /nfs/dbraw/zinc/10/45/73/569104573.db2.gz IIDQHBAZZOVTRE-UHFFFAOYSA-N 1 0 417.469 2.114 50 0 HEAARO CCn1c2c(C(=O)Nc3cc(Cl)ccc3OC)cnn2c(=O)c2c1CC[NH2+]C2 ZINC000064966191 569137362 /nfs/dbraw/zinc/13/73/62/569137362.db2.gz APVYQIMDBUYBDL-UHFFFAOYSA-N 1 0 401.854 2.076 50 0 HEAARO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)S(=O)(=O)c1ccc(Cl)s1 ZINC000036394773 569168541 /nfs/dbraw/zinc/16/85/41/569168541.db2.gz QKMUCZJGBINJLU-CQSZACIVSA-N 1 0 415.968 2.441 50 0 HEAARO CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036569396 569201383 /nfs/dbraw/zinc/20/13/83/569201383.db2.gz ZVVINHNERSCXLG-RLLQIKCJSA-N 1 0 407.580 2.370 50 0 HEAARO COc1cc(C[N@H+](C)C[C@H](O)CN2CCOCC2)ccc1OCc1ccccc1 ZINC000013128346 569211371 /nfs/dbraw/zinc/21/13/71/569211371.db2.gz NRFKIBHWXYNZBB-NRFANRHFSA-N 1 0 400.519 2.399 50 0 HEAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000007109271 569221430 /nfs/dbraw/zinc/22/14/30/569221430.db2.gz BLIPMAVQRSTROG-UHFFFAOYSA-N 1 0 403.504 2.401 50 0 HEAARO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000036883723 569231456 /nfs/dbraw/zinc/23/14/56/569231456.db2.gz BUXLGLVGBALSKF-FQEVSTJZSA-N 1 0 419.522 2.400 50 0 HEAARO Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000017052500 569272617 /nfs/dbraw/zinc/27/26/17/569272617.db2.gz ZPUUAYKBOCDRSQ-UHFFFAOYSA-N 1 0 408.550 2.116 50 0 HEAARO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000007683564 569300517 /nfs/dbraw/zinc/30/05/17/569300517.db2.gz VUBOAJSBIILNOJ-MRXNPFEDSA-N 1 0 423.966 2.493 50 0 HEAARO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007718228 569302098 /nfs/dbraw/zinc/30/20/98/569302098.db2.gz QEWJQVOQUWXNMW-QGZVFWFLSA-N 1 0 401.532 2.266 50 0 HEAARO Cc1c(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cnn1-c1ccc(=O)[nH]n1 ZINC000027389767 569312305 /nfs/dbraw/zinc/31/23/05/569312305.db2.gz APSMIDLWJIPLSR-UHFFFAOYSA-N 1 0 406.490 2.333 50 0 HEAARO O=C(c1ccccn1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccn3)CC1)CCO2 ZINC000581819778 569320722 /nfs/dbraw/zinc/32/07/22/569320722.db2.gz KOTOULNNJFSCCB-FQEVSTJZSA-N 1 0 421.545 2.453 50 0 HEAARO O=C(c1cc[nH]n1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820118 569320929 /nfs/dbraw/zinc/32/09/29/569320929.db2.gz RVWUADPJACWWGR-HXUWFJFHSA-N 1 0 409.534 2.386 50 0 HEAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+]2CCN(C(C)C)CC2)CCO3)n1 ZINC000581819809 569320993 /nfs/dbraw/zinc/32/09/93/569320993.db2.gz MKPOTALDJLLXHJ-LJQANCHMSA-N 1 0 403.571 2.083 50 0 HEAARO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(OCCN2CCOCC2)CC1)c1ccc(F)cc1 ZINC000078972796 569422671 /nfs/dbraw/zinc/42/26/71/569422671.db2.gz FNXBHKZKWSKYRN-ROUUACIJSA-N 1 0 407.530 2.205 50 0 HEAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000008864232 571129077 /nfs/dbraw/zinc/12/90/77/571129077.db2.gz XGXVAJJFYBUXKB-INIZCTEOSA-N 1 0 401.488 2.411 50 0 HEAARO CSc1cccc(N2C[C@H](C(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2=O)c1 ZINC000040086626 571157067 /nfs/dbraw/zinc/15/70/67/571157067.db2.gz USNCGMBRXBULGC-YESZJQIVSA-N 1 0 405.564 2.377 50 0 HEAARO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1OC ZINC000009647394 571276529 /nfs/dbraw/zinc/27/65/29/571276529.db2.gz POPDUSTUEJMZBF-GOSISDBHSA-N 1 0 403.475 2.485 50 0 HEAARO