smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000001017527 194003838 /nfs/dbraw/zinc/00/38/38/194003838.db2.gz LZYVZYBEWRPHQB-FQEVSTJZSA-N 1 1 496.721 4.954 50 0 JJAAMO COC(CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)OC ZINC000001447710 194122900 /nfs/dbraw/zinc/12/29/00/194122900.db2.gz UMLZQACGTNICFD-UHFFFAOYSA-N 1 1 453.340 4.881 50 0 JJAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCc3ccccc3Cl)CC23CCCCC3)cc1 ZINC000002944254 194175812 /nfs/dbraw/zinc/17/58/12/194175812.db2.gz MKTDORNQVRMURM-UHFFFAOYSA-N 1 1 499.124 4.660 50 0 JJAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000003213699 194239979 /nfs/dbraw/zinc/23/99/79/194239979.db2.gz RHKYCUPTMVZYSS-UHFFFAOYSA-N 1 1 468.575 4.680 50 0 JJAAMO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000003213699 194239981 /nfs/dbraw/zinc/23/99/81/194239981.db2.gz RHKYCUPTMVZYSS-UHFFFAOYSA-N 1 1 468.575 4.680 50 0 JJAAMO CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000003284983 194264092 /nfs/dbraw/zinc/26/40/92/194264092.db2.gz WAFNEIBSUVQFSJ-UHFFFAOYSA-N 1 1 480.586 4.623 50 0 JJAAMO CCOC(=O)c1c(C)c(Cc2ccc3c(c2)OCO3)sc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000003284983 194264093 /nfs/dbraw/zinc/26/40/93/194264093.db2.gz WAFNEIBSUVQFSJ-UHFFFAOYSA-N 1 1 480.586 4.623 50 0 JJAAMO CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)ccc1C ZINC000003432044 194322700 /nfs/dbraw/zinc/32/27/00/194322700.db2.gz YZBSFPPQGRTSGU-DEOSSOPVSA-N 1 1 495.645 4.760 50 0 JJAAMO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(Br)cc1 ZINC000003540535 194336325 /nfs/dbraw/zinc/33/63/25/194336325.db2.gz YHVHYIDRYZNWBP-UHFFFAOYSA-N 1 1 452.352 4.772 50 0 JJAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(Br)cc1 ZINC000003540535 194336328 /nfs/dbraw/zinc/33/63/28/194336328.db2.gz YHVHYIDRYZNWBP-UHFFFAOYSA-N 1 1 452.352 4.772 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757259 194394809 /nfs/dbraw/zinc/39/48/09/194394809.db2.gz AKOLLWXEYMJPOJ-AZGAKELHSA-N 1 1 469.601 4.557 50 0 JJAAMO COc1ccccc1[C@@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)[NH+]1CCCC1 ZINC000009945366 195030570 /nfs/dbraw/zinc/03/05/70/195030570.db2.gz DUFNLFXLHKJPRJ-GOSISDBHSA-N 1 1 493.917 4.557 50 0 JJAAMO O=C(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCN(c2ccc(F)cc2)CC1)OCCO3 ZINC000009969421 195042549 /nfs/dbraw/zinc/04/25/49/195042549.db2.gz UEXGAMMPWAIPPX-UHFFFAOYSA-N 1 1 469.516 4.703 50 0 JJAAMO COc1ccc(C[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)[C@@H](C)Cc2cccs2)cc1 ZINC000012768188 195115689 /nfs/dbraw/zinc/11/56/89/195115689.db2.gz XTIPOXSCHQGXIH-IBGZPJMESA-N 1 1 468.619 4.524 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(=O)n1Cc1cc(Br)ccc1OC ZINC000012777467 195121926 /nfs/dbraw/zinc/12/19/26/195121926.db2.gz HZIDCCVXUPQSGI-UHFFFAOYSA-N 1 1 464.429 4.736 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(I)cc1 ZINC000012782229 195125217 /nfs/dbraw/zinc/12/52/17/195125217.db2.gz DPBYTSSOVCIIHP-IBGZPJMESA-N 1 1 466.319 4.810 50 0 JJAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000012820584 195149134 /nfs/dbraw/zinc/14/91/34/195149134.db2.gz WUMJQFNJNSLKOB-UHFFFAOYSA-N 1 1 473.198 4.963 50 0 JJAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000012820584 195149136 /nfs/dbraw/zinc/14/91/36/195149136.db2.gz WUMJQFNJNSLKOB-UHFFFAOYSA-N 1 1 473.198 4.963 50 0 JJAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012846633 195152708 /nfs/dbraw/zinc/15/27/08/195152708.db2.gz WDXCXHJGTHVUJU-XMMPIXPASA-N 1 1 466.585 4.611 50 0 JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000012866877 195161637 /nfs/dbraw/zinc/16/16/37/195161637.db2.gz KRSBANZBOANWDS-CAVYSCNFSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000012866877 195161640 /nfs/dbraw/zinc/16/16/40/195161640.db2.gz KRSBANZBOANWDS-CAVYSCNFSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012872868 195164455 /nfs/dbraw/zinc/16/44/55/195164455.db2.gz NFJUWKAUKUSRDP-OAHLLOKOSA-N 1 1 467.919 4.714 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012906145 195179838 /nfs/dbraw/zinc/17/98/38/195179838.db2.gz YTOVPSGSZSIOPN-DEOSSOPVSA-N 1 1 451.567 4.877 50 0 JJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000020761895 195218338 /nfs/dbraw/zinc/21/83/38/195218338.db2.gz AJFJWQWWHGSNKL-RRPNLBNLSA-N 1 1 459.634 4.587 50 0 biogenic JJAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000020904350 195244374 /nfs/dbraw/zinc/24/43/74/195244374.db2.gz FOCFZJIGBFDPMI-KAYWLYCHSA-N 1 1 487.669 4.859 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000020904403 195244611 /nfs/dbraw/zinc/24/46/11/195244611.db2.gz LIGYPBGXMHTTCT-YNJKOYDBSA-N 1 1 467.679 4.923 50 0 JJAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)C2)cc1 ZINC000020978075 195258588 /nfs/dbraw/zinc/25/85/88/195258588.db2.gz VVMWVYCADZBQDZ-INIZCTEOSA-N 1 1 485.553 4.531 50 0 JJAAMO CCc1cc2c(cc1S(=O)(=O)N1CC[NH+](C3CCCCC3)CC1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990365 195262227 /nfs/dbraw/zinc/26/22/27/195262227.db2.gz HLXMZDWNYCMKKA-UHFFFAOYSA-N 1 1 471.667 4.524 50 0 JJAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)c(=O)[nH]2)cc1OC ZINC000020992990 195262719 /nfs/dbraw/zinc/26/27/19/195262719.db2.gz ITFXZADGEOIALO-FQEVSTJZSA-N 1 1 499.611 4.711 50 0 JJAAMO Cc1cc(NCCC[NH+]2CCOCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021150399 195282443 /nfs/dbraw/zinc/28/24/43/195282443.db2.gz UFXAGWLJGAYANQ-UHFFFAOYSA-N 1 1 453.896 4.511 50 0 JJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000021367931 195300094 /nfs/dbraw/zinc/30/00/94/195300094.db2.gz PSFGQFXWDLOIRE-LJQANCHMSA-N 1 1 467.953 4.561 50 0 JJAAMO O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021400400 195301045 /nfs/dbraw/zinc/30/10/45/195301045.db2.gz FRERLZDBMGQXCS-UHFFFAOYSA-N 1 1 474.388 4.730 50 0 JJAAMO C[N@@H+](CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526725 195305420 /nfs/dbraw/zinc/30/54/20/195305420.db2.gz OHXFAQDBVLANHY-MHZLTWQESA-N 1 1 468.642 4.552 50 0 JJAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794851 195322186 /nfs/dbraw/zinc/32/21/86/195322186.db2.gz PXATUNOVKGZAMS-UHFFFAOYSA-N 1 1 467.595 4.718 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C)cc2)CC1 ZINC000021914275 195331715 /nfs/dbraw/zinc/33/17/15/195331715.db2.gz JIXMXVIPCUHPFG-UHFFFAOYSA-N 1 1 486.595 4.542 50 0 JJAAMO Cc1cccc(C[N@@H+]2CC=C(c3noc(CCC(=O)N4CCN(c5cccc(C)c5C)CC4)n3)CC2)c1 ZINC000021944978 195340191 /nfs/dbraw/zinc/34/01/91/195340191.db2.gz ZOSMXQGJVKWFGO-UHFFFAOYSA-N 1 1 499.659 4.566 50 0 JJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036309760 519636001 /nfs/dbraw/zinc/63/60/01/519636001.db2.gz WLYHIYICMQQRGF-OZXSUGGESA-N 1 1 496.648 4.706 50 0 JJAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)Cc1ccccc1 ZINC000036161462 519652352 /nfs/dbraw/zinc/65/23/52/519652352.db2.gz LYGLZGJXFZAWCO-UYAOXDASSA-N 1 1 453.652 4.561 50 0 JJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036149175 519717645 /nfs/dbraw/zinc/71/76/45/519717645.db2.gz DNCFBJSHZFZPON-RUZDIDTESA-N 1 1 463.622 4.978 50 0 JJAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1F ZINC000036249343 519717731 /nfs/dbraw/zinc/71/77/31/519717731.db2.gz XIVHQPBEGXPUJS-UHFFFAOYSA-N 1 1 468.548 4.670 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308298 519771561 /nfs/dbraw/zinc/77/15/61/519771561.db2.gz RSYVSFBVHDATSC-ZCYQVOJMSA-N 1 1 479.621 4.646 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146073 519771580 /nfs/dbraw/zinc/77/15/80/519771580.db2.gz ZTJDULXERPKFLT-PMACEKPBSA-N 1 1 451.394 4.775 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146033 519773866 /nfs/dbraw/zinc/77/38/66/519773866.db2.gz PBUHDAYBEHVKPZ-UXHICEINSA-N 1 1 451.394 4.775 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307233 519773912 /nfs/dbraw/zinc/77/39/12/519773912.db2.gz ZOVBCGWOCXYJEF-NOZRDPDXSA-N 1 1 497.611 4.785 50 0 JJAAMO CC(C)c1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012218745 519830630 /nfs/dbraw/zinc/83/06/30/519830630.db2.gz ISYZDPJTCIGUMB-OAQYLSRUSA-N 1 1 484.579 4.596 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036248932 519880770 /nfs/dbraw/zinc/88/07/70/519880770.db2.gz BYTDJOSZRMBVFO-QFIPXVFZSA-N 1 1 459.631 4.740 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036248931 519881422 /nfs/dbraw/zinc/88/14/22/519881422.db2.gz BYTDJOSZRMBVFO-JOCHJYFZSA-N 1 1 459.631 4.740 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302417 520093428 /nfs/dbraw/zinc/09/34/28/520093428.db2.gz CBHHFPGJVZUEPY-QHCPKHFHSA-N 1 1 467.610 4.837 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000036303183 520093460 /nfs/dbraw/zinc/09/34/60/520093460.db2.gz OMUPCLKZZHPLQY-XZOQPEGZSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000036303183 520093471 /nfs/dbraw/zinc/09/34/71/520093471.db2.gz OMUPCLKZZHPLQY-XZOQPEGZSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307822 520155934 /nfs/dbraw/zinc/15/59/34/520155934.db2.gz JXOPOUCCRWKCBZ-JOCHJYFZSA-N 1 1 453.558 4.628 50 0 JJAAMO CCCC[N@H+](C)CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000009731729 520401485 /nfs/dbraw/zinc/40/14/85/520401485.db2.gz OKORSONWISOPPX-UHFFFAOYSA-N 1 1 461.050 4.754 50 0 JJAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000009731729 520401494 /nfs/dbraw/zinc/40/14/94/520401494.db2.gz OKORSONWISOPPX-UHFFFAOYSA-N 1 1 461.050 4.754 50 0 JJAAMO CC1(C)Cc2cccc(OCc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)c2O1 ZINC000022713969 520584153 /nfs/dbraw/zinc/58/41/53/520584153.db2.gz ZXDJOOFBJVBRFM-UHFFFAOYSA-N 1 1 456.586 4.937 50 0 JJAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014748469 520664318 /nfs/dbraw/zinc/66/43/18/520664318.db2.gz NIBJVFRHJNVWAV-WIOPSUGQSA-N 1 1 480.649 4.626 50 0 JJAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428972 520895436 /nfs/dbraw/zinc/89/54/36/520895436.db2.gz CGWGCMAVZSROKA-XRKRLSELSA-N 1 1 450.586 4.651 50 0 JJAAMO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1OC ZINC000022920956 521230945 /nfs/dbraw/zinc/23/09/45/521230945.db2.gz QWLJPFJWZINQGA-DEOSSOPVSA-N 1 1 483.634 4.954 50 0 JJAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)[C@@H](C)C(C)(C)O ZINC000036310283 521534845 /nfs/dbraw/zinc/53/48/45/521534845.db2.gz QKKIBLLNTBFVAE-UNMCSNQZSA-N 1 1 458.668 4.741 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004147850 521656012 /nfs/dbraw/zinc/65/60/12/521656012.db2.gz QWAOVVDXYJPXGJ-HJANBMFISA-N 1 1 465.682 4.509 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036302826 521680218 /nfs/dbraw/zinc/68/02/18/521680218.db2.gz MVGRUZNVCYTVTA-QFIPXVFZSA-N 1 1 467.610 4.845 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036303386 521680625 /nfs/dbraw/zinc/68/06/25/521680625.db2.gz OZBRFWWTUKXIOF-QFIPXVFZSA-N 1 1 497.636 4.854 50 0 JJAAMO CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068987 521681786 /nfs/dbraw/zinc/68/17/86/521681786.db2.gz YLPLNVDANOVAMW-UHFFFAOYSA-N 1 1 479.602 4.861 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)CC1 ZINC000033279082 521688696 /nfs/dbraw/zinc/68/86/96/521688696.db2.gz IXPFTSGITADDEM-UHFFFAOYSA-N 1 1 485.563 4.933 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(-c4nc(-c5ccccc5)no4)cc3)cc2)CC1 ZINC000033278938 521688851 /nfs/dbraw/zinc/68/88/51/521688851.db2.gz HRSWHJUQQKGPMD-UHFFFAOYSA-N 1 1 467.573 4.793 50 0 JJAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000022784380 521692938 /nfs/dbraw/zinc/69/29/38/521692938.db2.gz OPNZEGJRNNIVKK-DNVCBOLYSA-N 1 1 467.502 4.564 50 0 JJAAMO COc1cc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)ccc1O ZINC000034683937 522368408 /nfs/dbraw/zinc/36/84/08/522368408.db2.gz MXDDABREBGOCHK-UHFFFAOYSA-N 1 1 484.593 4.708 50 0 JJAAMO COC(=O)c1sc2nc(C[N@@H+](C)CCc3ccccn3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000014985562 522433366 /nfs/dbraw/zinc/43/33/66/522433366.db2.gz LLFHPISAERANFR-UHFFFAOYSA-N 1 1 480.615 4.775 50 0 JJAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697281 523138796 /nfs/dbraw/zinc/13/87/96/523138796.db2.gz WHWUCVZHONMQDM-RUZDIDTESA-N 1 1 467.610 4.655 50 0 JJAAMO CCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697022 523141711 /nfs/dbraw/zinc/14/17/11/523141711.db2.gz NFVICDVJBNJDSW-DEOSSOPVSA-N 1 1 455.961 4.586 50 0 JJAAMO C[N@@H+](Cc1[nH]nc2c1CCCCC2)C1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000012242607 523542317 /nfs/dbraw/zinc/54/23/17/523542317.db2.gz BLDIWPGZINZJQO-UHFFFAOYSA-N 1 1 489.639 4.849 50 0 JJAAMO CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCC[NH+]4CCOCC4)c23)CO1 ZINC000020461197 523599462 /nfs/dbraw/zinc/59/94/62/523599462.db2.gz HLQNDXWCYGOHLH-JOCHJYFZSA-N 1 1 450.674 4.567 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COC(C)C ZINC000036304953 523734780 /nfs/dbraw/zinc/73/47/80/523734780.db2.gz UFNSEYAARKUABD-NRFANRHFSA-N 1 1 488.028 4.767 50 0 JJAAMO COc1ccc(C)cc1NC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069219 523823014 /nfs/dbraw/zinc/82/30/14/523823014.db2.gz IGNYMEFUPMTSMX-UHFFFAOYSA-N 1 1 466.969 4.901 50 0 JJAAMO COc1ccc(C)cc1NC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069219 523823024 /nfs/dbraw/zinc/82/30/24/523823024.db2.gz IGNYMEFUPMTSMX-UHFFFAOYSA-N 1 1 466.969 4.901 50 0 JJAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000036309418 523873313 /nfs/dbraw/zinc/87/33/13/523873313.db2.gz CUNNTYHKLGTTOF-ZEYPLWLESA-N 1 1 458.668 4.599 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COc3ccccc3)C2)cc1 ZINC000036146647 523880183 /nfs/dbraw/zinc/88/01/83/523880183.db2.gz XJNCLNOQQDUOSG-JYFHCDHNSA-N 1 1 480.992 4.784 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COc3ccccc3)C2)cc1 ZINC000036146647 523880188 /nfs/dbraw/zinc/88/01/88/523880188.db2.gz XJNCLNOQQDUOSG-JYFHCDHNSA-N 1 1 480.992 4.784 50 0 JJAAMO COc1cccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036345685 524114674 /nfs/dbraw/zinc/11/46/74/524114674.db2.gz ZKWFLFZCECNTKH-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456587 524139849 /nfs/dbraw/zinc/13/98/49/524139849.db2.gz DKOYJBIUYBMXNB-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccc(C)c(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456587 524139860 /nfs/dbraw/zinc/13/98/60/524139860.db2.gz DKOYJBIUYBMXNB-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c1 ZINC000036064023 524381620 /nfs/dbraw/zinc/38/16/20/524381620.db2.gz IDZQIVOTITXRTH-QHCPKHFHSA-N 1 1 472.589 4.618 50 0 JJAAMO Cc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c1 ZINC000036064023 524381626 /nfs/dbraw/zinc/38/16/26/524381626.db2.gz IDZQIVOTITXRTH-QHCPKHFHSA-N 1 1 472.589 4.618 50 0 JJAAMO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302108 524695324 /nfs/dbraw/zinc/69/53/24/524695324.db2.gz RXMBKRNZXPRYDZ-QHCPKHFHSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302108 524695335 /nfs/dbraw/zinc/69/53/35/524695335.db2.gz RXMBKRNZXPRYDZ-QHCPKHFHSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305829 524695586 /nfs/dbraw/zinc/69/55/86/524695586.db2.gz OSMJARFQOUIRQG-QFIPXVFZSA-N 1 1 465.594 4.638 50 0 JJAAMO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302119 524695759 /nfs/dbraw/zinc/69/57/59/524695759.db2.gz DHXJPRZFOFXMCB-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COCC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302119 524695770 /nfs/dbraw/zinc/69/57/70/524695770.db2.gz DHXJPRZFOFXMCB-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000046053268 525323515 /nfs/dbraw/zinc/32/35/15/525323515.db2.gz GXMJCKNSQKEWTA-UHFFFAOYSA-N 1 1 455.484 4.818 50 0 JJAAMO COc1ccc([C@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447009 525444855 /nfs/dbraw/zinc/44/48/55/525444855.db2.gz DDDBZNUCIWOQOM-VPUSJEBWSA-N 1 1 467.993 4.709 50 0 JJAAMO CSCCC[N@H+]1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000014977176 525450465 /nfs/dbraw/zinc/45/04/65/525450465.db2.gz CLGHXEOPQLEZJW-MJGOQNOKSA-N 1 1 458.678 4.927 50 0 JJAAMO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)c1 ZINC000012371612 525705787 /nfs/dbraw/zinc/70/57/87/525705787.db2.gz DDTOXYXZWVFIFO-LAUBAEHRSA-N 1 1 488.510 4.845 50 0 JJAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)c1 ZINC000014992502 525825886 /nfs/dbraw/zinc/82/58/86/525825886.db2.gz SUOLYEGGMFNHSH-NRFANRHFSA-N 1 1 481.600 4.503 50 0 JJAAMO Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008618236 525886755 /nfs/dbraw/zinc/88/67/55/525886755.db2.gz NNTFCTBZVUVGPR-UHFFFAOYSA-N 1 1 489.062 4.937 50 0 JJAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@@H](C)Oc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000012453755 525952220 /nfs/dbraw/zinc/95/22/20/525952220.db2.gz HNHKKUOSKFQGJX-QGZVFWFLSA-N 1 1 480.012 4.693 50 0 JJAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@@H](C)Oc1cccc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000012453755 525952229 /nfs/dbraw/zinc/95/22/29/525952229.db2.gz HNHKKUOSKFQGJX-QGZVFWFLSA-N 1 1 480.012 4.693 50 0 JJAAMO C[C@@H](c1cccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCC[NH+](C)C ZINC000014879330 526142711 /nfs/dbraw/zinc/14/27/11/526142711.db2.gz MJOLEKBPBPXRPG-FQEVSTJZSA-N 1 1 451.636 4.665 50 0 JJAAMO CSc1ccccc1C(=O)NCc1nc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+](C)C3)c2)oc1C ZINC000012245004 526151938 /nfs/dbraw/zinc/15/19/38/526151938.db2.gz UFARZPXSSMNQDK-IBGZPJMESA-N 1 1 478.618 4.582 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147161 526285006 /nfs/dbraw/zinc/28/50/06/526285006.db2.gz FCLDFVNKIDREPH-LADGPHEKSA-N 1 1 454.954 4.506 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146689 526290462 /nfs/dbraw/zinc/29/04/62/526290462.db2.gz LOOJVVAKQXTBNJ-ZCYQVOJMSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146689 526290466 /nfs/dbraw/zinc/29/04/66/526290466.db2.gz LOOJVVAKQXTBNJ-ZCYQVOJMSA-N 1 1 468.956 4.914 50 0 JJAAMO O=C(C1CCCCC1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020449604 526298990 /nfs/dbraw/zinc/29/89/90/526298990.db2.gz KESKPTDHECZWNA-MHZLTWQESA-N 1 1 490.692 4.597 50 0 JJAAMO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000014879218 526576514 /nfs/dbraw/zinc/57/65/14/526576514.db2.gz MHLONQFOXOFIRB-PMERELPUSA-N 1 1 487.619 4.685 50 0 JJAAMO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000014879218 526576524 /nfs/dbraw/zinc/57/65/24/526576524.db2.gz MHLONQFOXOFIRB-PMERELPUSA-N 1 1 487.619 4.685 50 0 JJAAMO O=C(C[N@@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309649 526697608 /nfs/dbraw/zinc/69/76/08/526697608.db2.gz JWRVLCRQHWDRQV-UIOOFZCWSA-N 1 1 494.632 4.838 50 0 JJAAMO Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000046141509 526864277 /nfs/dbraw/zinc/86/42/77/526864277.db2.gz SVSNKANADNROCZ-UHFFFAOYSA-N 1 1 490.626 4.552 50 0 JJAAMO Cc1sc2[nH]c(C[NH2+][C@@H](CN3CCOCC3)c3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000022788890 526894264 /nfs/dbraw/zinc/89/42/64/526894264.db2.gz VNLXSAFVGNFSQB-QHCPKHFHSA-N 1 1 488.657 4.740 50 0 JJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000033318623 527002936 /nfs/dbraw/zinc/00/29/36/527002936.db2.gz MJSVMYIOUGOXOG-UHFFFAOYSA-N 1 1 460.538 4.934 50 0 JJAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318623 527002941 /nfs/dbraw/zinc/00/29/41/527002941.db2.gz MJSVMYIOUGOXOG-UHFFFAOYSA-N 1 1 460.538 4.934 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)c2C(=O)N1CCc1cccc(F)c1 ZINC000014975353 527125518 /nfs/dbraw/zinc/12/55/18/527125518.db2.gz DYYZQSJRYFTIQY-UHFFFAOYSA-N 1 1 477.967 4.640 50 0 JJAAMO O=C(Nc1ccc(N2CCC([N@H+]3CCC[C@H](c4ccccc4)CC3)CC2)cc1)c1cnccn1 ZINC000039356555 527221245 /nfs/dbraw/zinc/22/12/45/527221245.db2.gz RYKGRNYJLHZBKH-QHCPKHFHSA-N 1 1 455.606 4.967 50 0 JJAAMO O=S1(=O)CC[C@H]([NH2+]Cc2cc3cc4c(cc3nc2OCc2cccc(C(F)(F)F)c2)CCC4)C1 ZINC000014986166 527313164 /nfs/dbraw/zinc/31/31/64/527313164.db2.gz XXBLHGHGPWNXAJ-QFIPXVFZSA-N 1 1 490.547 4.598 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002316008 554145781 /nfs/dbraw/zinc/14/57/81/554145781.db2.gz YVZSDIFENZKOCZ-CLJLJLNGSA-N 1 1 451.530 4.565 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002395445 554182193 /nfs/dbraw/zinc/18/21/93/554182193.db2.gz WVCQTKVTKZRGET-UIOOFZCWSA-N 1 1 452.514 4.816 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000002404719 554187733 /nfs/dbraw/zinc/18/77/33/554187733.db2.gz AMAFLDGMNODAAX-RPWUZVMVSA-N 1 1 470.916 4.931 50 0 JJAAMO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-c1ccccc1)[NH+](C)C ZINC000002618839 554243297 /nfs/dbraw/zinc/24/32/97/554243297.db2.gz MGQBPMFGJWODSH-SFHVURJKSA-N 1 1 492.418 4.912 50 0 JJAAMO O=C(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCN(Cc2ccccc2)CC1)OCCO3 ZINC000002693613 554290927 /nfs/dbraw/zinc/29/09/27/554290927.db2.gz LFKLWERRNLCGDK-UHFFFAOYSA-N 1 1 465.553 4.559 50 0 JJAAMO CCn1c(SCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000008744871 554647944 /nfs/dbraw/zinc/64/79/44/554647944.db2.gz YDBDWWFLRIEPIE-SFHVURJKSA-N 1 1 494.448 4.910 50 0 JJAAMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1F ZINC000008772443 554672304 /nfs/dbraw/zinc/67/23/04/554672304.db2.gz ZSWNGVKHZXIQND-KRWDZBQOSA-N 1 1 465.525 4.554 50 0 JJAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1F ZINC000008772443 554672307 /nfs/dbraw/zinc/67/23/07/554672307.db2.gz ZSWNGVKHZXIQND-KRWDZBQOSA-N 1 1 465.525 4.554 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000008912809 554803493 /nfs/dbraw/zinc/80/34/93/554803493.db2.gz IHYDDBVYUNOGKR-HDICACEKSA-N 1 1 483.657 4.969 50 0 JJAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(Br)c1OC ZINC000008923433 554820602 /nfs/dbraw/zinc/82/06/02/554820602.db2.gz WSUZAAXSJQWSDN-SFHVURJKSA-N 1 1 466.401 4.723 50 0 JJAAMO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000009115556 554902438 /nfs/dbraw/zinc/90/24/38/554902438.db2.gz PITDZRVVRALJTE-XIFFEERXSA-N 1 1 485.049 4.925 50 0 JJAAMO Cn1c2ccccc2nc1-n1ncc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c(Cl)c1=O ZINC000009130574 554930342 /nfs/dbraw/zinc/93/03/42/554930342.db2.gz DVEKWBRUYUJOMP-OAQYLSRUSA-N 1 1 483.403 4.675 50 0 JJAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000009228215 555001941 /nfs/dbraw/zinc/00/19/41/555001941.db2.gz LJMZXASFCUIIRJ-UHFFFAOYSA-N 1 1 455.580 4.754 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1 ZINC000009265181 555040870 /nfs/dbraw/zinc/04/08/70/555040870.db2.gz PUHHIIYKLUSLLJ-UHFFFAOYSA-N 1 1 481.568 4.787 50 0 JJAAMO Cc1nn([C@H](C)C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2c3ccccc3sc21 ZINC000009288980 555062954 /nfs/dbraw/zinc/06/29/54/555062954.db2.gz UPBDGIIRYYVLTF-HXUWFJFHSA-N 1 1 476.646 4.898 50 0 JJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344500 555109854 /nfs/dbraw/zinc/10/98/54/555109854.db2.gz CMNXDOKZXKEOQO-AZGAKELHSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344498 555109860 /nfs/dbraw/zinc/10/98/60/555109860.db2.gz CMNXDOKZXKEOQO-AHWVRZQESA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000009345006 555110593 /nfs/dbraw/zinc/11/05/93/555110593.db2.gz WFINIUBSIDPZTK-UIOOFZCWSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000009345514 555111632 /nfs/dbraw/zinc/11/16/32/555111632.db2.gz LWZCZYMEOOGVPY-DQEYMECFSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009347752 555113789 /nfs/dbraw/zinc/11/37/89/555113789.db2.gz ZCWONBMRJSZABL-FTJBHMTQSA-N 1 1 452.514 4.816 50 0 JJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2Cl)CC1 ZINC000009433958 555204324 /nfs/dbraw/zinc/20/43/24/555204324.db2.gz WZGAVVGNWSBDNG-UHFFFAOYSA-N 1 1 452.780 4.505 50 0 JJAAMO O=C(c1cc(-c2ccccn2)nc2ccc(Cl)cc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013153093 555359485 /nfs/dbraw/zinc/35/94/85/555359485.db2.gz MOCGOOYPJSRPLE-UHFFFAOYSA-N 1 1 456.977 4.951 50 0 JJAAMO O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019893141 555531271 /nfs/dbraw/zinc/53/12/71/555531271.db2.gz JSVRKQLFKAAXEQ-UHFFFAOYSA-N 1 1 482.550 4.715 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1OC ZINC000013616268 555536326 /nfs/dbraw/zinc/53/63/26/555536326.db2.gz MBMCTHRJTSVSOJ-SVBPBHIXSA-N 1 1 498.539 4.525 50 0 JJAAMO Cc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000019908541 555536499 /nfs/dbraw/zinc/53/64/99/555536499.db2.gz LTHCIDUPZCANBE-IBGZPJMESA-N 1 1 482.694 4.646 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1 ZINC000009841111 555543861 /nfs/dbraw/zinc/54/38/61/555543861.db2.gz VMLMDIOVVBTYIN-HSZRJFAPSA-N 1 1 494.709 4.503 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+](CC)Cc4ccccc4)C3)sc2c1 ZINC000009848142 555549841 /nfs/dbraw/zinc/54/98/41/555549841.db2.gz NPRWQVHLSKVUNA-QFIPXVFZSA-N 1 1 480.678 4.940 50 0 JJAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000013660632 555556264 /nfs/dbraw/zinc/55/62/64/555556264.db2.gz JXSHHRALBBBLBK-FQEVSTJZSA-N 1 1 450.888 4.945 50 0 JJAAMO O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCN(C2CCCCC2)CC1 ZINC000019947049 555563473 /nfs/dbraw/zinc/56/34/73/555563473.db2.gz ZHIGFOFKDARGBJ-NRFANRHFSA-N 1 1 470.455 4.868 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000013811199 555627617 /nfs/dbraw/zinc/62/76/17/555627617.db2.gz LPVGFJHDJXLRJL-DQEYMECFSA-N 1 1 450.498 4.586 50 0 JJAAMO CN1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020107883 555642188 /nfs/dbraw/zinc/64/21/88/555642188.db2.gz VQPPZKQFBLBCCA-UHFFFAOYSA-N 1 1 456.603 4.603 50 0 JJAAMO COc1ccc(Nc2ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000020113962 555651466 /nfs/dbraw/zinc/65/14/66/555651466.db2.gz TYEFPKDQDVGYBI-UHFFFAOYSA-N 1 1 452.558 4.945 50 0 JJAAMO Cc1ncsc1CCCNC(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000020119006 555655210 /nfs/dbraw/zinc/65/52/10/555655210.db2.gz PZBDIWGQYVQSOC-HSZRJFAPSA-N 1 1 453.583 4.665 50 0 JJAAMO COc1ccccc1-c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000020137503 555660957 /nfs/dbraw/zinc/66/09/57/555660957.db2.gz YVVBLCDJOKMNTP-UHFFFAOYSA-N 1 1 453.542 4.898 50 0 JJAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccc(Br)cc21 ZINC000020178983 555684457 /nfs/dbraw/zinc/68/44/57/555684457.db2.gz OPISDYOQXZCADW-UHFFFAOYSA-N 1 1 488.451 4.897 50 0 JJAAMO COc1cccc(/C=C2\Sc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000020180407 555686681 /nfs/dbraw/zinc/68/66/81/555686681.db2.gz XDMBIYBMPJFGRW-IMRQLAEWSA-N 1 1 499.636 4.763 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214100 555708679 /nfs/dbraw/zinc/70/86/79/555708679.db2.gz OJWLGXLVDCZDFE-HSZRJFAPSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214100 555708681 /nfs/dbraw/zinc/70/86/81/555708681.db2.gz OJWLGXLVDCZDFE-HSZRJFAPSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214100 555708682 /nfs/dbraw/zinc/70/86/82/555708682.db2.gz OJWLGXLVDCZDFE-HSZRJFAPSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214100 555708685 /nfs/dbraw/zinc/70/86/85/555708685.db2.gz OJWLGXLVDCZDFE-HSZRJFAPSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214103 555708769 /nfs/dbraw/zinc/70/87/69/555708769.db2.gz OJWLGXLVDCZDFE-QHCPKHFHSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214103 555708772 /nfs/dbraw/zinc/70/87/72/555708772.db2.gz OJWLGXLVDCZDFE-QHCPKHFHSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214103 555708773 /nfs/dbraw/zinc/70/87/73/555708773.db2.gz OJWLGXLVDCZDFE-QHCPKHFHSA-N 1 1 471.985 4.939 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214103 555708777 /nfs/dbraw/zinc/70/87/77/555708777.db2.gz OJWLGXLVDCZDFE-QHCPKHFHSA-N 1 1 471.985 4.939 50 0 JJAAMO O=C(C[NH+]1CCCC1)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010435191 555710045 /nfs/dbraw/zinc/71/00/45/555710045.db2.gz IRMBVIODJYATEA-RUZDIDTESA-N 1 1 465.557 4.906 50 0 JJAAMO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000010461028 555717855 /nfs/dbraw/zinc/71/78/55/555717855.db2.gz NSCIJJKEIRWXCY-UHFFFAOYSA-N 1 1 459.571 4.744 50 0 JJAAMO COc1cc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000020228330 555719034 /nfs/dbraw/zinc/71/90/34/555719034.db2.gz RJLFKTAQMNIYHR-UHFFFAOYSA-N 1 1 477.630 4.816 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(/C=C3/Oc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1 ZINC000020355218 555782796 /nfs/dbraw/zinc/78/27/96/555782796.db2.gz HLLMGJGOHCWEKT-VFCFBJKWSA-N 1 1 481.596 4.739 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000020532229 555801309 /nfs/dbraw/zinc/80/13/09/555801309.db2.gz KXBYMPFDCKEDQN-MRXNPFEDSA-N 1 1 454.596 4.817 50 0 JJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)C1 ZINC000014529827 555816931 /nfs/dbraw/zinc/81/69/31/555816931.db2.gz DSKBECRHPYNPKR-IAGOWNOFSA-N 1 1 453.612 4.617 50 0 JJAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000015023245 555864358 /nfs/dbraw/zinc/86/43/58/555864358.db2.gz VCOSMFDYDVSERY-HRFSGMKKSA-N 1 1 473.573 4.552 50 0 JJAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000015023245 555864362 /nfs/dbraw/zinc/86/43/62/555864362.db2.gz VCOSMFDYDVSERY-HRFSGMKKSA-N 1 1 473.573 4.552 50 0 JJAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030658 555865377 /nfs/dbraw/zinc/86/53/77/555865377.db2.gz MAYXZFYQTUWRPP-HNNXBMFYSA-N 1 1 470.923 4.610 50 0 JJAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030658 555865380 /nfs/dbraw/zinc/86/53/80/555865380.db2.gz MAYXZFYQTUWRPP-HNNXBMFYSA-N 1 1 470.923 4.610 50 0 JJAAMO O[C@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039049 555865575 /nfs/dbraw/zinc/86/55/75/555865575.db2.gz DIFYWVGMEXSQHY-YTMVLYRLSA-N 1 1 456.630 4.849 50 0 JJAAMO Cc1ccc([C@H](C)CC[N@@H+]2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039595 555892366 /nfs/dbraw/zinc/89/23/66/555892366.db2.gz TZMJRXYFZNDVQP-JOCHJYFZSA-N 1 1 475.633 4.855 50 0 JJAAMO Cc1ccc([C@H](C)CC[N@H+]2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039595 555892371 /nfs/dbraw/zinc/89/23/71/555892371.db2.gz TZMJRXYFZNDVQP-JOCHJYFZSA-N 1 1 475.633 4.855 50 0 JJAAMO Cc1ccc([C@H](C)CCN2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039595 555892374 /nfs/dbraw/zinc/89/23/74/555892374.db2.gz TZMJRXYFZNDVQP-JOCHJYFZSA-N 1 1 475.633 4.855 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319706 555897570 /nfs/dbraw/zinc/89/75/70/555897570.db2.gz NFAWVCDHKYVBKD-UTKZUKDTSA-N 1 1 488.510 4.845 50 0 JJAAMO O=c1c2c(nc3sc(SCc4ccccc4Cl)nn31)CC[N@@H+](Cc1ccccc1)C2 ZINC000015414239 555905583 /nfs/dbraw/zinc/90/55/83/555905583.db2.gz VYSJIBPSDYJQSL-UHFFFAOYSA-N 1 1 455.008 4.655 50 0 JJAAMO O=c1c2c(nc3sc(SCc4ccccc4Cl)nn31)CC[N@H+](Cc1ccccc1)C2 ZINC000015414239 555905586 /nfs/dbraw/zinc/90/55/86/555905586.db2.gz VYSJIBPSDYJQSL-UHFFFAOYSA-N 1 1 455.008 4.655 50 0 JJAAMO O=C(c1ccccc1OC[C@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022870072 555962782 /nfs/dbraw/zinc/96/27/82/555962782.db2.gz CANRRNNCDKWZQT-RUZDIDTESA-N 1 1 456.586 4.792 50 0 JJAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000012376172 555963392 /nfs/dbraw/zinc/96/33/92/555963392.db2.gz VCOSMFDYDVSERY-CCLHPLFOSA-N 1 1 473.573 4.552 50 0 JJAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000012376172 555963395 /nfs/dbraw/zinc/96/33/95/555963395.db2.gz VCOSMFDYDVSERY-CCLHPLFOSA-N 1 1 473.573 4.552 50 0 JJAAMO CCCN(C(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1ccccc1C ZINC000015726352 555964360 /nfs/dbraw/zinc/96/43/60/555964360.db2.gz BJTYZZYVUYBVFV-UHFFFAOYSA-N 1 1 478.593 4.717 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)n2)cc1OC ZINC000015726495 555965186 /nfs/dbraw/zinc/96/51/86/555965186.db2.gz HDLAKNKRBAIFDF-UHFFFAOYSA-N 1 1 470.957 4.566 50 0 JJAAMO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022919743 555973632 /nfs/dbraw/zinc/97/36/32/555973632.db2.gz GGXPHAGGUYAWPM-UHFFFAOYSA-N 1 1 477.630 4.657 50 0 JJAAMO CNC(=O)c1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000023042925 556001816 /nfs/dbraw/zinc/00/18/16/556001816.db2.gz UIXYRORUJWDIOI-AREMUKBSSA-N 1 1 470.569 4.748 50 0 JJAAMO CNC(=O)c1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000023042925 556001819 /nfs/dbraw/zinc/00/18/19/556001819.db2.gz UIXYRORUJWDIOI-AREMUKBSSA-N 1 1 470.569 4.748 50 0 JJAAMO COc1ccc(CC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023181478 556027867 /nfs/dbraw/zinc/02/78/67/556027867.db2.gz YDZRGINZHUQZKC-SIBVEZHUSA-N 1 1 467.610 4.507 50 0 JJAAMO COc1ccc(CC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023181471 556027961 /nfs/dbraw/zinc/02/79/61/556027961.db2.gz YDZRGINZHUQZKC-AFMDSPMNSA-N 1 1 467.610 4.507 50 0 JJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)CC2)cc1 ZINC000023244786 556033734 /nfs/dbraw/zinc/03/37/34/556033734.db2.gz ZIEJZVLALYCLQM-UHFFFAOYSA-N 1 1 454.574 4.691 50 0 JJAAMO C[N@@H+](CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12)Cc1ccccc1 ZINC000015863492 556037827 /nfs/dbraw/zinc/03/78/27/556037827.db2.gz CIWWBAVOFHVNDK-UHFFFAOYSA-N 1 1 454.596 4.714 50 0 JJAAMO CCN(CC)c1ccc(C(=O)NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012559284 556049677 /nfs/dbraw/zinc/04/96/77/556049677.db2.gz KMMYEOYVOZOZDJ-UHFFFAOYSA-N 1 1 486.685 4.955 50 0 JJAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cs1 ZINC000012570701 556073059 /nfs/dbraw/zinc/07/30/59/556073059.db2.gz FUTPDJYYEZVVJK-UHFFFAOYSA-N 1 1 450.608 4.946 50 0 JJAAMO CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](CC)C5)o2)cc1 ZINC000015947303 556085261 /nfs/dbraw/zinc/08/52/61/556085261.db2.gz INKYTCOXKZMSMS-OAQYLSRUSA-N 1 1 451.548 4.992 50 0 JJAAMO CCCn1c(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024601471 556138073 /nfs/dbraw/zinc/13/80/73/556138073.db2.gz FJOFPKKUSLXHEI-SFHVURJKSA-N 1 1 497.690 4.686 50 0 JJAAMO CCCn1c(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024601471 556138077 /nfs/dbraw/zinc/13/80/77/556138077.db2.gz FJOFPKKUSLXHEI-SFHVURJKSA-N 1 1 497.690 4.686 50 0 JJAAMO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000012946094 556157660 /nfs/dbraw/zinc/15/76/60/556157660.db2.gz XVLNEXVONDMJHI-WNCULLNHSA-N 1 1 456.590 4.600 50 0 JJAAMO COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000012946094 556157663 /nfs/dbraw/zinc/15/76/63/556157663.db2.gz XVLNEXVONDMJHI-WNCULLNHSA-N 1 1 456.590 4.600 50 0 JJAAMO COc1ccc(C[N@H+](Cc2nc(CNC(=O)c3ccccc3)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000024983310 556169013 /nfs/dbraw/zinc/16/90/13/556169013.db2.gz AWTNZXKLMXFREX-IBGZPJMESA-N 1 1 476.602 4.703 50 0 JJAAMO COc1ccc(C[N@@H+](Cc2nc(CNC(=O)c3ccccc3)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000024983310 556169017 /nfs/dbraw/zinc/16/90/17/556169017.db2.gz AWTNZXKLMXFREX-IBGZPJMESA-N 1 1 476.602 4.703 50 0 JJAAMO C[C@H](NC(=O)Cc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891016 556171731 /nfs/dbraw/zinc/17/17/31/556171731.db2.gz SBACLNAHGAEYAL-AVRWGWEMSA-N 1 1 455.574 4.637 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000016891045 556172028 /nfs/dbraw/zinc/17/20/28/556172028.db2.gz BLTUPTWIHLJRPZ-CJAUYULYSA-N 1 1 483.609 4.586 50 0 JJAAMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000025154956 556195828 /nfs/dbraw/zinc/19/58/28/556195828.db2.gz ATCBETLRKMBXDP-UHFFFAOYSA-N 1 1 474.531 4.706 50 0 JJAAMO O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000013010681 556202973 /nfs/dbraw/zinc/20/29/73/556202973.db2.gz IJRULZYFSHLOTI-FQEVSTJZSA-N 1 1 460.628 4.841 50 0 JJAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000013015103 556206230 /nfs/dbraw/zinc/20/62/30/556206230.db2.gz HBWNMPNBDZILQW-SFHVURJKSA-N 1 1 459.512 4.658 50 0 JJAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000013015103 556206232 /nfs/dbraw/zinc/20/62/32/556206232.db2.gz HBWNMPNBDZILQW-SFHVURJKSA-N 1 1 459.512 4.658 50 0 JJAAMO COc1cc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000025325771 556208745 /nfs/dbraw/zinc/20/87/45/556208745.db2.gz VUAIMRFACCVXMM-UHFFFAOYSA-N 1 1 461.562 4.652 50 0 JJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)C[C@H]3COc5ccccc5O3)n2)CCC4)CC1 ZINC000013041272 556246233 /nfs/dbraw/zinc/24/62/33/556246233.db2.gz JHPQIYJGJQUWHA-SFHVURJKSA-N 1 1 464.635 4.688 50 0 JJAAMO O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026155258 556250555 /nfs/dbraw/zinc/25/05/55/556250555.db2.gz LUIHYVQPRQSQRG-MHZLTWQESA-N 1 1 456.586 4.792 50 0 JJAAMO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013060472 556256320 /nfs/dbraw/zinc/25/63/20/556256320.db2.gz WAWVKKDGGLZHIY-RUZDIDTESA-N 1 1 461.993 4.546 50 0 JJAAMO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(C[NH+]3CCN(c4cccc(Cl)c4)CC3)cc(=O)c12 ZINC000013062941 556258589 /nfs/dbraw/zinc/25/85/89/556258589.db2.gz BBFXQWNVVSSJHX-UHFFFAOYSA-N 1 1 468.388 4.651 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000027373437 556277273 /nfs/dbraw/zinc/27/72/73/556277273.db2.gz KXPQUHHNPNEABT-LIONHTAISA-N 1 1 450.538 4.970 50 0 JJAAMO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCN(C2CCCCC2)CC1 ZINC000019372308 556347480 /nfs/dbraw/zinc/34/74/80/556347480.db2.gz ZHIGFOFKDARGBJ-OAQYLSRUSA-N 1 1 470.455 4.868 50 0 JJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019758808 556366413 /nfs/dbraw/zinc/36/64/13/556366413.db2.gz JTPFCOZPUOTQIG-UHFFFAOYSA-N 1 1 491.638 4.661 50 0 JJAAMO CCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000019758808 556366415 /nfs/dbraw/zinc/36/64/15/556366415.db2.gz JTPFCOZPUOTQIG-UHFFFAOYSA-N 1 1 491.638 4.661 50 0 JJAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000032751382 556485517 /nfs/dbraw/zinc/48/55/17/556485517.db2.gz FQQSDQVJPLNFBB-JOCHJYFZSA-N 1 1 471.557 4.681 50 0 JJAAMO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000032751382 556485520 /nfs/dbraw/zinc/48/55/20/556485520.db2.gz FQQSDQVJPLNFBB-JOCHJYFZSA-N 1 1 471.557 4.681 50 0 JJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)C1 ZINC000032885685 556522615 /nfs/dbraw/zinc/52/26/15/556522615.db2.gz GOSHZWVZYZSJKG-IRXDYDNUSA-N 1 1 475.058 4.765 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000008590254 562942597 /nfs/dbraw/zinc/94/25/97/562942597.db2.gz LHPPYLHMMDGYTL-MRXNPFEDSA-N 1 1 452.580 4.586 50 0 JJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000033024201 563110439 /nfs/dbraw/zinc/11/04/39/563110439.db2.gz DMDCVLRTPMANDI-JOCHJYFZSA-N 1 1 488.009 4.691 50 0 JJAAMO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000054360506 569589973 /nfs/dbraw/zinc/58/99/73/569589973.db2.gz YQCBRWLYAWEDPF-UHFFFAOYSA-N 1 1 453.377 4.504 50 0 JJAAMO COc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)c(Cl)c1OC ZINC000055166762 569591007 /nfs/dbraw/zinc/59/10/07/569591007.db2.gz SLXKJUXORDUISY-UHFFFAOYSA-N 1 1 456.892 4.611 50 0 JJAAMO COc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)c(Cl)c1OC ZINC000055166762 569591008 /nfs/dbraw/zinc/59/10/08/569591008.db2.gz SLXKJUXORDUISY-UHFFFAOYSA-N 1 1 456.892 4.611 50 0 JJAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000055183097 569591243 /nfs/dbraw/zinc/59/12/43/569591243.db2.gz KRLZCKIOQFQOII-SANMLTNESA-N 1 1 455.558 4.756 50 0 JJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000055183097 569591244 /nfs/dbraw/zinc/59/12/44/569591244.db2.gz KRLZCKIOQFQOII-SANMLTNESA-N 1 1 455.558 4.756 50 0 JJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc(Br)o1 ZINC000055545142 569592111 /nfs/dbraw/zinc/59/21/11/569592111.db2.gz WICLGZZCXDJTIL-UHFFFAOYSA-N 1 1 458.331 4.756 50 0 JJAAMO O=C1N[C@H](c2cccc(Br)c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722159 569598790 /nfs/dbraw/zinc/59/87/90/569598790.db2.gz HGOIQONIZSTFQQ-FQEVSTJZSA-N 1 1 454.393 4.923 50 0 JJAAMO O=C1N[C@H](c2cccc(Br)c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722159 569598791 /nfs/dbraw/zinc/59/87/91/569598791.db2.gz HGOIQONIZSTFQQ-FQEVSTJZSA-N 1 1 454.393 4.923 50 0 JJAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(C)cc2)[C@@]12c1ccccc1NC2=O ZINC000059485892 569605370 /nfs/dbraw/zinc/60/53/70/569605370.db2.gz VSTMDEBFCKYLRC-GLKSXAEWSA-N 1 1 491.591 4.572 50 0 biogenic JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983892 569607117 /nfs/dbraw/zinc/60/71/17/569607117.db2.gz OKKXZIVTTBLNFQ-HEQHKCQXSA-N 1 1 453.970 4.706 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983891 569607188 /nfs/dbraw/zinc/60/71/88/569607188.db2.gz OKKXZIVTTBLNFQ-CXJVOSNZSA-N 1 1 453.970 4.706 50 0 JJAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000063515020 569615364 /nfs/dbraw/zinc/61/53/64/569615364.db2.gz YAENXPMEAXUGOA-FCHUYYIVSA-N 1 1 482.477 4.714 50 0 JJAAMO CCC[NH+]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@H](c2ccsc2)Sc2ccccc2-3)CC1 ZINC000064006505 569615969 /nfs/dbraw/zinc/61/59/69/569615969.db2.gz PPJRPPQEEJWYQF-XMMPIXPASA-N 1 1 479.671 4.765 50 0 JJAAMO CCCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000033318446 569623160 /nfs/dbraw/zinc/62/31/60/569623160.db2.gz JFVAFWFCWNYEKZ-UHFFFAOYSA-N 1 1 455.584 4.574 50 0 JJAAMO COc1cccc(C[NH+]2CCN(c3nn4c(nc(-c5ccccc5)c4NC(C)(C)C)s3)CC2)c1 ZINC000064746800 569625869 /nfs/dbraw/zinc/62/58/69/569625869.db2.gz WGHBDWKWJCXJOY-UHFFFAOYSA-N 1 1 476.650 4.999 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1 ZINC000064801567 569631354 /nfs/dbraw/zinc/63/13/54/569631354.db2.gz OAFSKMJMMVRIMB-UHFFFAOYSA-N 1 1 468.945 4.671 50 0 JJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801341 569631374 /nfs/dbraw/zinc/63/13/74/569631374.db2.gz QWZGWKGYGHFCCF-UHFFFAOYSA-N 1 1 456.909 4.802 50 0 JJAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801604 569631398 /nfs/dbraw/zinc/63/13/98/569631398.db2.gz UVWGLFMCRRIGDX-UHFFFAOYSA-N 1 1 450.568 4.731 50 0 JJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801085 569631446 /nfs/dbraw/zinc/63/14/46/569631446.db2.gz IUXKKMQWHKXWLU-UHFFFAOYSA-N 1 1 458.349 4.924 50 0 JJAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1C ZINC000064801895 569631553 /nfs/dbraw/zinc/63/15/53/569631553.db2.gz NHXSCUHOISNBQD-UHFFFAOYSA-N 1 1 467.595 4.637 50 0 JJAAMO COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)cc1C ZINC000064802115 569631760 /nfs/dbraw/zinc/63/17/60/569631760.db2.gz MIHBLKSQWTYDMP-UHFFFAOYSA-N 1 1 467.595 4.555 50 0 JJAAMO Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3cccc(C[NH+]4CCCC4)c3)c2)c1C ZINC000064867371 569639940 /nfs/dbraw/zinc/63/99/40/569639940.db2.gz JNKXZPZRRFXMAR-UHFFFAOYSA-N 1 1 481.618 4.665 50 0 JJAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3ccsc3)CC2)nc1 ZINC000034681710 569643507 /nfs/dbraw/zinc/64/35/07/569643507.db2.gz LQQSLHNZHXJXEG-UHFFFAOYSA-N 1 1 456.999 4.526 50 0 JJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccc(F)cc1F ZINC000034681911 569643554 /nfs/dbraw/zinc/64/35/54/569643554.db2.gz RWLVZPPOUMPCFF-UHFFFAOYSA-N 1 1 458.459 4.603 50 0 JJAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1)c1ccc(F)cc1F ZINC000034681911 569643556 /nfs/dbraw/zinc/64/35/56/569643556.db2.gz RWLVZPPOUMPCFF-UHFFFAOYSA-N 1 1 458.459 4.603 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034787645 569659756 /nfs/dbraw/zinc/65/97/56/569659756.db2.gz VPJLWBMAVSLSNJ-SANMLTNESA-N 1 1 494.060 4.642 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034787645 569659757 /nfs/dbraw/zinc/65/97/57/569659757.db2.gz VPJLWBMAVSLSNJ-SANMLTNESA-N 1 1 494.060 4.642 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000034829627 569663165 /nfs/dbraw/zinc/66/31/65/569663165.db2.gz WJOQGJXXVVBICH-SIBVEZHUSA-N 1 1 494.060 4.722 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000034829627 569663167 /nfs/dbraw/zinc/66/31/67/569663167.db2.gz WJOQGJXXVVBICH-SIBVEZHUSA-N 1 1 494.060 4.722 50 0 JJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@H](C)C2)cc1 ZINC000034829737 569663357 /nfs/dbraw/zinc/66/33/57/569663357.db2.gz YKNPNLHFPDOZCI-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@H](C)C2)cc1 ZINC000034829737 569663358 /nfs/dbraw/zinc/66/33/58/569663358.db2.gz YKNPNLHFPDOZCI-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000034829804 569663375 /nfs/dbraw/zinc/66/33/75/569663375.db2.gz LDCWNCBLYGBSAA-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000034829804 569663376 /nfs/dbraw/zinc/66/33/76/569663376.db2.gz LDCWNCBLYGBSAA-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000034829816 569663426 /nfs/dbraw/zinc/66/34/26/569663426.db2.gz CJEXOCZIZAJQJT-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000034829816 569663428 /nfs/dbraw/zinc/66/34/28/569663428.db2.gz CJEXOCZIZAJQJT-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO CC(C)(C)CC(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034830052 569663542 /nfs/dbraw/zinc/66/35/42/569663542.db2.gz MROAUEMLTCCGFS-SANMLTNESA-N 1 1 467.679 4.583 50 0 JJAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034830055 569663664 /nfs/dbraw/zinc/66/36/64/569663664.db2.gz KXURGNWIFLIUAC-MUUNZHRXSA-N 1 1 487.669 4.769 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830398 569663801 /nfs/dbraw/zinc/66/38/01/569663801.db2.gz IACWTMTVMHYQCM-HFZDXXHNSA-N 1 1 481.706 4.890 50 0 JJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000034830530 569663886 /nfs/dbraw/zinc/66/38/86/569663886.db2.gz DKEHJRCHZHMYBD-BCHFMIIMSA-N 1 1 485.669 4.720 50 0 JJAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000034872254 569668488 /nfs/dbraw/zinc/66/84/88/569668488.db2.gz FGXCTOGPMWLOIZ-CPJSRVTESA-N 1 1 474.022 4.944 50 0 JJAAMO COc1cccc(Nc2nc(-c3ccc(Cl)cc3)ncc2C(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000034921890 569672633 /nfs/dbraw/zinc/67/26/33/569672633.db2.gz FUOZCOZSVWZOKV-HXUWFJFHSA-N 1 1 465.985 4.763 50 0 JJAAMO COc1ccc([C@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000035266950 569679113 /nfs/dbraw/zinc/67/91/13/569679113.db2.gz XVLNEXVONDMJHI-HOFKKMOUSA-N 1 1 456.590 4.600 50 0 JJAAMO COc1ccc([C@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000035266950 569679114 /nfs/dbraw/zinc/67/91/14/569679114.db2.gz XVLNEXVONDMJHI-HOFKKMOUSA-N 1 1 456.590 4.600 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000067695797 569690892 /nfs/dbraw/zinc/69/08/92/569690892.db2.gz CUQWFOODPWTPEZ-UHFFFAOYSA-N 1 1 497.492 4.963 50 0 JJAAMO CCOCCCNC(=O)C1CC[NH+]([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000069598785 569693382 /nfs/dbraw/zinc/69/33/82/569693382.db2.gz WBHUFZWTCDVUCQ-QHCPKHFHSA-N 1 1 492.447 4.928 50 0 JJAAMO Cc1noc(C)c1CCC(=O)N(C[C@H]1CCC[N@H+]1CC1CCCCC1)C(=O)CCc1c(C)noc1C ZINC000069841325 569693760 /nfs/dbraw/zinc/69/37/60/569693760.db2.gz WLLIUGDDQXABQA-XMMPIXPASA-N 1 1 498.668 4.862 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035426994 569693963 /nfs/dbraw/zinc/69/39/63/569693963.db2.gz SRDLWDJJEDMTSN-RUZDIDTESA-N 1 1 494.661 4.577 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035426994 569693964 /nfs/dbraw/zinc/69/39/64/569693964.db2.gz SRDLWDJJEDMTSN-RUZDIDTESA-N 1 1 494.661 4.577 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427055 569694237 /nfs/dbraw/zinc/69/42/37/569694237.db2.gz UPMQHMNCFMMCQW-XMMPIXPASA-N 1 1 482.625 4.707 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427055 569694238 /nfs/dbraw/zinc/69/42/38/569694238.db2.gz UPMQHMNCFMMCQW-XMMPIXPASA-N 1 1 482.625 4.707 50 0 JJAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000069950986 569694278 /nfs/dbraw/zinc/69/42/78/569694278.db2.gz NRGLZWVZNOCBPH-SFHVURJKSA-N 1 1 464.635 4.740 50 0 JJAAMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454165 569697386 /nfs/dbraw/zinc/69/73/86/569697386.db2.gz RDHGANXPSWXRPB-MOPGFXCFSA-N 1 1 473.061 4.690 50 0 JJAAMO COc1cc(C(=O)N(CC[C@@H]2CCC[N@H+]2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC ZINC000084615762 569709388 /nfs/dbraw/zinc/70/93/88/569709388.db2.gz JVRRRKAXHMGUHZ-SIWPHUPXSA-N 1 1 470.585 4.882 50 0 in-vitro JJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651196 569713085 /nfs/dbraw/zinc/71/30/85/569713085.db2.gz SKQOYFVRAQVGMZ-UHFFFAOYSA-N 1 1 491.542 4.792 50 0 JJAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](C)O ZINC000035842614 569714108 /nfs/dbraw/zinc/71/41/08/569714108.db2.gz DFSJDMWZYTUEFP-QHCPKHFHSA-N 1 1 493.692 4.756 50 0 JJAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C(C)(C)CO ZINC000035842652 569714136 /nfs/dbraw/zinc/71/41/36/569714136.db2.gz LALJTYKRLSMLMF-UHFFFAOYSA-N 1 1 486.056 4.502 50 0 JJAAMO CCOC(=O)CCC[N@@H+](CCC(C)C)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844980 569715613 /nfs/dbraw/zinc/71/56/13/569715613.db2.gz OYTWHGFWAXMMQF-UHFFFAOYSA-N 1 1 456.627 4.851 50 0 JJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000085875103 569715718 /nfs/dbraw/zinc/71/57/18/569715718.db2.gz TYHDBHAXQKOIHF-QFBILLFUSA-N 1 1 461.393 4.635 50 0 biogenic JJAAMO C[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997924 569716775 /nfs/dbraw/zinc/71/67/75/569716775.db2.gz ZFQWYXXFPIWSOT-MHECFPHRSA-N 1 1 455.574 4.704 50 0 JJAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@H]12 ZINC000035871543 569718728 /nfs/dbraw/zinc/71/87/28/569718728.db2.gz ILWGUXWWMDHOTC-JTHBVZDNSA-N 1 1 461.528 4.610 50 0 JJAAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871507 569718749 /nfs/dbraw/zinc/71/87/49/569718749.db2.gz KXICAUUNWVOIRH-UKILVPOCSA-N 1 1 471.567 4.670 50 0 JJAAMO CCn1cc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872391 569719366 /nfs/dbraw/zinc/71/93/66/569719366.db2.gz ISYALNNKGZQYBW-QHCPKHFHSA-N 1 1 454.014 4.675 50 0 JJAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908048 569723643 /nfs/dbraw/zinc/72/36/43/569723643.db2.gz VJSJAAOSEDNDGH-ISKFKSNPSA-N 1 1 477.546 4.870 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)c2)CC1 ZINC000095925553 569730188 /nfs/dbraw/zinc/73/01/88/569730188.db2.gz HTIMECRGKBBXQF-UHFFFAOYSA-N 1 1 487.629 4.656 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991398 569744466 /nfs/dbraw/zinc/74/44/66/569744466.db2.gz QCXBZDUJSACCBE-OAQYLSRUSA-N 1 1 462.377 4.639 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991398 569744468 /nfs/dbraw/zinc/74/44/68/569744468.db2.gz QCXBZDUJSACCBE-OAQYLSRUSA-N 1 1 462.377 4.639 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCN(CC(C)C)c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000036008171 569747848 /nfs/dbraw/zinc/74/78/48/569747848.db2.gz WIKYRUGXQGDEKT-UHFFFAOYSA-N 1 1 480.056 4.967 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043006 569754462 /nfs/dbraw/zinc/75/44/62/569754462.db2.gz FRHKGBAMJKIZDK-WINIVTDRSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043006 569754463 /nfs/dbraw/zinc/75/44/63/569754463.db2.gz FRHKGBAMJKIZDK-WINIVTDRSA-N 1 1 460.574 4.630 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301807 569759116 /nfs/dbraw/zinc/75/91/16/569759116.db2.gz VADCVBSPMFHWJA-JOCHJYFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301807 569759118 /nfs/dbraw/zinc/75/91/18/569759118.db2.gz VADCVBSPMFHWJA-JOCHJYFZSA-N 1 1 455.986 4.988 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccccc1C ZINC000036313023 569760642 /nfs/dbraw/zinc/76/06/42/569760642.db2.gz MHZAPNXHUNMKSH-VWLOTQADSA-N 1 1 493.648 4.919 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccccc1C ZINC000036313022 569760679 /nfs/dbraw/zinc/76/06/79/569760679.db2.gz MHZAPNXHUNMKSH-RUZDIDTESA-N 1 1 493.648 4.919 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316418 569762992 /nfs/dbraw/zinc/76/29/92/569762992.db2.gz UXKPZXXYORMCHW-QFIPXVFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316418 569762993 /nfs/dbraw/zinc/76/29/93/569762993.db2.gz UXKPZXXYORMCHW-QFIPXVFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC ZINC000036316481 569763054 /nfs/dbraw/zinc/76/30/54/569763054.db2.gz APRGMQIRNCHSDP-OAQYLSRUSA-N 1 1 455.574 4.976 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316419 569763145 /nfs/dbraw/zinc/76/31/45/569763145.db2.gz UXKPZXXYORMCHW-JOCHJYFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C1CC1 ZINC000036316419 569763146 /nfs/dbraw/zinc/76/31/46/569763146.db2.gz UXKPZXXYORMCHW-JOCHJYFZSA-N 1 1 465.594 4.597 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000036340945 569764200 /nfs/dbraw/zinc/76/42/00/569764200.db2.gz XGYGDXGOWRCFGQ-HHHXNRCGSA-N 1 1 491.010 4.975 50 0 JJAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3cc(OC)ccc3OC)C2)c1 ZINC000036341760 569764908 /nfs/dbraw/zinc/76/49/08/569764908.db2.gz DYTTZUOQIJROHY-AREMUKBSSA-N 1 1 473.573 4.522 50 0 JJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3cc(OC)ccc3OC)C2)c1 ZINC000036341760 569764910 /nfs/dbraw/zinc/76/49/10/569764910.db2.gz DYTTZUOQIJROHY-AREMUKBSSA-N 1 1 473.573 4.522 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342037 569765233 /nfs/dbraw/zinc/76/52/33/569765233.db2.gz JEPNHJWGMWYHGQ-QHCPKHFHSA-N 1 1 455.574 4.968 50 0 JJAAMO CCOc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344107 569766782 /nfs/dbraw/zinc/76/67/82/569766782.db2.gz PVZKMFIULVXVGL-SSEXGKCCSA-N 1 1 496.655 4.889 50 0 JJAAMO Cc1ccc(C)c([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344591 569767281 /nfs/dbraw/zinc/76/72/81/569767281.db2.gz HOMIPIQLUOAFEP-GDLZYMKVSA-N 1 1 466.629 4.799 50 0 JJAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2C)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036345333 569767797 /nfs/dbraw/zinc/76/77/97/569767797.db2.gz QKRZVDZSBBVMMD-LJAQVGFWSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346441 569769961 /nfs/dbraw/zinc/76/99/61/569769961.db2.gz ZIYHCLAJQJCYMV-HSZRJFAPSA-N 1 1 453.558 4.722 50 0 JJAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036346560 569770127 /nfs/dbraw/zinc/77/01/27/569770127.db2.gz HZFRMNIPCQEKSQ-UWJYYQICSA-N 1 1 459.537 4.859 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000037210656 569781776 /nfs/dbraw/zinc/78/17/76/569781776.db2.gz PEFBEEUTZQVFCX-AVRDEDQJSA-N 1 1 465.619 4.857 50 0 JJAAMO COc1cc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)cc1Cl ZINC000038729211 569806275 /nfs/dbraw/zinc/80/62/75/569806275.db2.gz LVXOLFUSYHHPAH-UHFFFAOYSA-N 1 1 485.934 4.522 50 0 JJAAMO c1ccc(CN2CCN(CCC[NH+]3CCC(Sc4ccc5ccccc5n4)CC3)CC2)cc1 ZINC000039145440 569809194 /nfs/dbraw/zinc/80/91/94/569809194.db2.gz FYXYTSMGEUZFCJ-UHFFFAOYSA-N 1 1 460.691 4.999 50 0 JJAAMO Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)[C@H]2c2cccs2)cc1 ZINC000039563898 569810808 /nfs/dbraw/zinc/81/08/08/569810808.db2.gz XEPAUBYDQBQTST-RDGATRHJSA-N 1 1 453.652 4.730 50 0 JJAAMO COc1cccc(-c2nc(C[N@@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)c1OC ZINC000039992462 569813379 /nfs/dbraw/zinc/81/33/79/569813379.db2.gz SKKAKPPRVNVCRZ-UHFFFAOYSA-N 1 1 478.540 4.953 50 0 JJAAMO COc1cccc(-c2nc(C[N@H+]3CCCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)c1OC ZINC000039992462 569813381 /nfs/dbraw/zinc/81/33/81/569813381.db2.gz SKKAKPPRVNVCRZ-UHFFFAOYSA-N 1 1 478.540 4.953 50 0 JJAAMO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104982965 569848082 /nfs/dbraw/zinc/84/80/82/569848082.db2.gz CXRMFFBPHLGXKU-DNQXCXABSA-N 1 1 454.492 4.703 50 0 JJAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104982965 569848083 /nfs/dbraw/zinc/84/80/83/569848083.db2.gz CXRMFFBPHLGXKU-DNQXCXABSA-N 1 1 454.492 4.703 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983653 569848302 /nfs/dbraw/zinc/84/83/02/569848302.db2.gz KUGYQGVEARKLOY-RBUKOAKNSA-N 1 1 497.394 4.832 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983653 569848304 /nfs/dbraw/zinc/84/83/04/569848304.db2.gz KUGYQGVEARKLOY-RBUKOAKNSA-N 1 1 497.394 4.832 50 0 JJAAMO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000105780063 569853380 /nfs/dbraw/zinc/85/33/80/569853380.db2.gz VMRBFEVPGQPSCR-APWZRJJASA-N 1 1 461.400 4.764 50 0 JJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984355 569848477 /nfs/dbraw/zinc/84/84/77/569848477.db2.gz GPYJUVQIMRCONY-CLJLJLNGSA-N 1 1 464.993 4.913 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984377 569848493 /nfs/dbraw/zinc/84/84/93/569848493.db2.gz BIGGIJGOPQQQFP-FCHUYYIVSA-N 1 1 479.404 4.693 50 0 JJAAMO O=C(C[N@@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000105003967 569849500 /nfs/dbraw/zinc/84/95/00/569849500.db2.gz JWRVLCRQHWDRQV-FTJBHMTQSA-N 1 1 494.632 4.838 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009455 569850485 /nfs/dbraw/zinc/85/04/85/569850485.db2.gz VXNUMECSIIJYMM-ZEQKJWHPSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009455 569850486 /nfs/dbraw/zinc/85/04/86/569850486.db2.gz VXNUMECSIIJYMM-ZEQKJWHPSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009478 569850502 /nfs/dbraw/zinc/85/05/02/569850502.db2.gz GMBQITFTEISVRF-HYBUGGRVSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009478 569850503 /nfs/dbraw/zinc/85/05/03/569850503.db2.gz GMBQITFTEISVRF-HYBUGGRVSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009989 569850559 /nfs/dbraw/zinc/85/05/59/569850559.db2.gz ONHBUFLKENXNKR-NBGIEHNGSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009989 569850560 /nfs/dbraw/zinc/85/05/60/569850560.db2.gz ONHBUFLKENXNKR-NBGIEHNGSA-N 1 1 482.024 4.910 50 0 JJAAMO Cc1cc(Br)ccc1NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317164 569851333 /nfs/dbraw/zinc/85/13/33/569851333.db2.gz GLCWIMFZPUDKLC-UHFFFAOYSA-N 1 1 455.356 4.658 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000105060995 569852603 /nfs/dbraw/zinc/85/26/03/569852603.db2.gz CJEXOCZIZAJQJT-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000105060995 569852604 /nfs/dbraw/zinc/85/26/04/569852604.db2.gz CJEXOCZIZAJQJT-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)c(F)c3)nc3[nH]ccc32)c1 ZINC000142081723 569867566 /nfs/dbraw/zinc/86/75/66/569867566.db2.gz UOFYSRZSLXWIQB-UHFFFAOYSA-N 1 1 487.539 4.509 50 0 in-vitro JJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677307 569868624 /nfs/dbraw/zinc/86/86/24/569868624.db2.gz GPYJUVQIMRCONY-FTJBHMTQSA-N 1 1 464.993 4.913 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000169677634 569868801 /nfs/dbraw/zinc/86/88/01/569868801.db2.gz QJGVQPAASSNLOY-RPLLCQBOSA-N 1 1 494.010 4.667 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000169677632 569868837 /nfs/dbraw/zinc/86/88/37/569868837.db2.gz BJBXHKUAPONEOC-AZGAKELHSA-N 1 1 496.076 4.632 50 0 JJAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677744 569868967 /nfs/dbraw/zinc/86/89/67/569868967.db2.gz JJZBCNJDHMORGL-GGAORHGYSA-N 1 1 477.596 4.731 50 0 JJAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)Cc1ccccc1 ZINC000169679027 569869366 /nfs/dbraw/zinc/86/93/66/569869366.db2.gz LYGLZGJXFZAWCO-QUCCMNQESA-N 1 1 453.652 4.561 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000169679874 569869999 /nfs/dbraw/zinc/86/99/99/569869999.db2.gz LPEJPJMUSSTXMG-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000169679874 569870000 /nfs/dbraw/zinc/87/00/00/569870000.db2.gz LPEJPJMUSSTXMG-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680119 569870229 /nfs/dbraw/zinc/87/02/29/569870229.db2.gz JFDGWYCSRWECLC-NZQKXSOJSA-N 1 1 467.610 4.980 50 0 JJAAMO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)CO4)cc1 ZINC000229704815 570040918 /nfs/dbraw/zinc/04/09/18/570040918.db2.gz DUNRUTJASQTNJK-BWKNWUBXSA-N 1 1 460.574 4.885 50 0 JJAAMO CCCC[N@@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230075924 570044302 /nfs/dbraw/zinc/04/43/02/570044302.db2.gz XBGKNLSIKIWAAN-ZEQRLZLVSA-N 1 1 465.619 4.670 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245234904 570056995 /nfs/dbraw/zinc/05/69/95/570056995.db2.gz GANQGTIVFYPHNC-NFQMXDRXSA-N 1 1 468.642 4.552 50 0 JJAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000245281247 570062125 /nfs/dbraw/zinc/06/21/25/570062125.db2.gz WSLXXLUDWZREKZ-RPLLCQBOSA-N 1 1 459.634 4.934 50 0 JJAAMO CCC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327487 570065323 /nfs/dbraw/zinc/06/53/23/570065323.db2.gz JQUYVJWCCSVASF-XUZZJYLKSA-N 1 1 476.658 4.901 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245328866 570066072 /nfs/dbraw/zinc/06/60/72/570066072.db2.gz QHUDANASTXZVHR-ILBGXUMGSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245328866 570066074 /nfs/dbraw/zinc/06/60/74/570066074.db2.gz QHUDANASTXZVHR-ILBGXUMGSA-N 1 1 497.611 4.745 50 0 JJAAMO O=C(Nc1ccncc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247522445 570068471 /nfs/dbraw/zinc/06/84/71/570068471.db2.gz YAEBOBBCTQCDCY-FQEVSTJZSA-N 1 1 459.981 4.984 50 0 JJAAMO O=C(Nc1ccncc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247522445 570068472 /nfs/dbraw/zinc/06/84/72/570068472.db2.gz YAEBOBBCTQCDCY-FQEVSTJZSA-N 1 1 459.981 4.984 50 0 JJAAMO O=C(C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000247734658 570068934 /nfs/dbraw/zinc/06/89/34/570068934.db2.gz JWRVLCRQHWDRQV-CLJLJLNGSA-N 1 1 494.632 4.838 50 0 JJAAMO CCCN(CCC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)CC1 ZINC000247880997 570070660 /nfs/dbraw/zinc/07/06/60/570070660.db2.gz JASKEQRUVPAYAU-UHFFFAOYSA-N 1 1 462.638 4.954 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000247903055 570070977 /nfs/dbraw/zinc/07/09/77/570070977.db2.gz JAAKVDVILGRSSK-VWLOTQADSA-N 1 1 482.628 4.930 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4)CC3)nc3ccccc32)cc1 ZINC000247924509 570071394 /nfs/dbraw/zinc/07/13/94/570071394.db2.gz ZBOOBKUCQJTNHA-UHFFFAOYSA-N 1 1 468.601 4.622 50 0 JJAAMO CC(C)N(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247950717 570071493 /nfs/dbraw/zinc/07/14/93/570071493.db2.gz BZCAWUCFAGFLLM-UHFFFAOYSA-N 1 1 469.427 4.867 50 0 JJAAMO CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247958889 570071722 /nfs/dbraw/zinc/07/17/22/570071722.db2.gz DRPNFWDWERFZKA-GOSISDBHSA-N 1 1 469.427 4.868 50 0 JJAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248033196 570073117 /nfs/dbraw/zinc/07/31/17/570073117.db2.gz YFIQNTVWYPJEKX-DEOSSOPVSA-N 1 1 473.665 4.795 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(C)cc4)CC3)nc3ccccc32)cc1 ZINC000248114825 570074303 /nfs/dbraw/zinc/07/43/03/570074303.db2.gz SBGVGZDTNOELGP-UHFFFAOYSA-N 1 1 482.628 4.930 50 0 JJAAMO CCN(CC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248232334 570076394 /nfs/dbraw/zinc/07/63/94/570076394.db2.gz CCPIMFXUFHSOEY-UHFFFAOYSA-N 1 1 469.427 4.868 50 0 JJAAMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248268453 570077289 /nfs/dbraw/zinc/07/72/89/570077289.db2.gz YQYIWBRRLBETBL-SFHVURJKSA-N 1 1 469.427 4.916 50 0 JJAAMO Cc1cc2oc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)cc(=O)c2cc1Cl ZINC000252499453 570082254 /nfs/dbraw/zinc/08/22/54/570082254.db2.gz SAUXKYKODVAREE-QGZVFWFLSA-N 1 1 452.860 4.806 50 0 JJAAMO Cc1oc2cc3oc(=O)c(CC(=O)N(C)C[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(C)c3cc2c1C ZINC000253407390 570097236 /nfs/dbraw/zinc/09/72/36/570097236.db2.gz JVMVWVXRFNTOQS-WMZHIEFXSA-N 1 1 450.579 4.730 50 0 JJAAMO Cc1cc(=O)oc2cc(OCC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c(Cl)cc12 ZINC000257198707 570107378 /nfs/dbraw/zinc/10/73/78/570107378.db2.gz GOWOSOWXNODCBF-VDCVCMFOSA-N 1 1 483.008 4.555 50 0 JJAAMO Cc1ccc2nc([C@H](C)[NH2+]C3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)[nH]c2c1 ZINC000299802307 570177542 /nfs/dbraw/zinc/17/75/42/570177542.db2.gz YRFXKSAVVKKHLO-IBGZPJMESA-N 1 1 454.578 4.838 50 0 JJAAMO NS(=O)(=O)c1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000001109349 194026655 /nfs/dbraw/zinc/02/66/55/194026655.db2.gz GGLCAUQNESACJK-UHFFFAOYSA-N 1 1 487.560 4.529 50 0 JJAAMO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000001448837 194123106 /nfs/dbraw/zinc/12/31/06/194123106.db2.gz YRLRKOSBTQXEFW-QHCPKHFHSA-N 1 1 453.608 4.946 50 0 JJAAMO COc1ccc(Nc2cc(C(=O)NCC[N@@H+](C)CCc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000003056872 194221265 /nfs/dbraw/zinc/22/12/65/194221265.db2.gz WTDFQNHKFALAHW-UHFFFAOYSA-N 1 1 484.600 4.900 50 0 JJAAMO CC(C)[N@H+](CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000003057318 194221538 /nfs/dbraw/zinc/22/15/38/194221538.db2.gz YONSYIUWGZLRBM-UHFFFAOYSA-N 1 1 489.037 4.688 50 0 JJAAMO CC(C)[N@@H+](CCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000003057318 194221541 /nfs/dbraw/zinc/22/15/41/194221541.db2.gz YONSYIUWGZLRBM-UHFFFAOYSA-N 1 1 489.037 4.688 50 0 JJAAMO COc1ccc(-c2c(C)oc3cc(OC[C@H](O)C[N@@H+]4CCc5ccccc5C4)ccc3c2=O)cc1 ZINC000003227708 194244613 /nfs/dbraw/zinc/24/46/13/194244613.db2.gz WXRMWFYQGHVVSO-HSZRJFAPSA-N 1 1 471.553 4.575 50 0 JJAAMO COc1ccc(-c2c(C)oc3cc(OC[C@H](O)C[N@H+]4CCc5ccccc5C4)ccc3c2=O)cc1 ZINC000003227708 194244616 /nfs/dbraw/zinc/24/46/16/194244616.db2.gz WXRMWFYQGHVVSO-HSZRJFAPSA-N 1 1 471.553 4.575 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c2c1C ZINC000003433741 194323383 /nfs/dbraw/zinc/32/33/83/194323383.db2.gz PVOAEWVWEGXMHH-NRFANRHFSA-N 1 1 469.630 4.528 50 0 JJAAMO Brc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000009309605 194682394 /nfs/dbraw/zinc/68/23/94/194682394.db2.gz PMPNBUHTEGUAMW-FCHUYYIVSA-N 1 1 458.319 4.648 50 0 JJAAMO COc1ccc(CCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1OC ZINC000012628651 195060948 /nfs/dbraw/zinc/06/09/48/195060948.db2.gz VVAKBOVNQPIZGM-UHFFFAOYSA-N 1 1 451.394 4.582 50 0 JJAAMO CC(C)Cn1c(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)nnc1-c1ccccc1F ZINC000012782913 195125508 /nfs/dbraw/zinc/12/55/08/195125508.db2.gz AGYRRDPPNWZYFJ-FQEVSTJZSA-N 1 1 481.641 4.738 50 0 JJAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Cl ZINC000012788353 195129747 /nfs/dbraw/zinc/12/97/47/195129747.db2.gz SJONNZVWNJEBMX-XMMPIXPASA-N 1 1 470.013 4.753 50 0 JJAAMO COc1ccccc1[C@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)[NH+](C)C ZINC000012802286 195139978 /nfs/dbraw/zinc/13/99/78/195139978.db2.gz RBXCGEGOYRMGOS-VWLOTQADSA-N 1 1 454.574 4.640 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000012815267 195146586 /nfs/dbraw/zinc/14/65/86/195146586.db2.gz KUMVCZJGQYHKEK-XMMPIXPASA-N 1 1 487.625 4.923 50 0 JJAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012846641 195152626 /nfs/dbraw/zinc/15/26/26/195152626.db2.gz WDXCXHJGTHVUJU-DEOSSOPVSA-N 1 1 466.585 4.611 50 0 JJAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CC2)cc1 ZINC000012852836 195155578 /nfs/dbraw/zinc/15/55/78/195155578.db2.gz BJAYKOJQTRPUIL-UHFFFAOYSA-N 1 1 492.620 4.950 50 0 JJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)CC2)cc1 ZINC000012852836 195155581 /nfs/dbraw/zinc/15/55/81/195155581.db2.gz BJAYKOJQTRPUIL-UHFFFAOYSA-N 1 1 492.620 4.950 50 0 JJAAMO Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c3ccccc32)c1 ZINC000012872293 195164120 /nfs/dbraw/zinc/16/41/20/195164120.db2.gz QFSNPCHPNBFXQQ-HSZRJFAPSA-N 1 1 480.612 4.586 50 0 JJAAMO COc1cc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc(OC)c1Br ZINC000012883599 195169709 /nfs/dbraw/zinc/16/97/09/195169709.db2.gz DPHQUTCUDHQEIH-STQMWFEESA-N 1 1 468.417 4.653 50 0 JJAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC[NH+]1CCOCC1)occ3-c1ccc(Cl)cc1 ZINC000020623951 195190873 /nfs/dbraw/zinc/19/08/73/195190873.db2.gz RXONLOUHUTVRNJ-UHFFFAOYSA-N 1 1 494.975 4.549 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC23CCCCC3)cc1 ZINC000020687985 195205477 /nfs/dbraw/zinc/20/54/77/195205477.db2.gz HTTKUAUQGQVBGE-VDKIKQQVSA-N 1 1 484.754 4.631 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902844 195241950 /nfs/dbraw/zinc/24/19/50/195241950.db2.gz UVCLAYHRSLJRSQ-GIGWZHCTSA-N 1 1 478.681 4.959 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000020902854 195242254 /nfs/dbraw/zinc/24/22/54/195242254.db2.gz ZKCJKRTWSPWVTD-LJAQVGFWSA-N 1 1 478.681 4.959 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902858 195242330 /nfs/dbraw/zinc/24/23/30/195242330.db2.gz WOCXAGNYWXPBCP-KERYWQKISA-N 1 1 478.681 4.958 50 0 JJAAMO Cc1ccc2c(CC(=O)NCC[N@H+]3Cc4ccccc4O[C@@H](c4ccccc4F)C3)cc(=O)oc2c1 ZINC000020905466 195244956 /nfs/dbraw/zinc/24/49/56/195244956.db2.gz ZDUZWAPMYHSPAC-HHHXNRCGSA-N 1 1 486.543 4.535 50 0 JJAAMO Cc1ccc2c(CC(=O)NCC[N@@H+]3Cc4ccccc4O[C@@H](c4ccccc4F)C3)cc(=O)oc2c1 ZINC000020905466 195244958 /nfs/dbraw/zinc/24/49/58/195244958.db2.gz ZDUZWAPMYHSPAC-HHHXNRCGSA-N 1 1 486.543 4.535 50 0 JJAAMO O=C(COCc1cc(-c2cccs2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020925873 195249312 /nfs/dbraw/zinc/24/93/12/195249312.db2.gz REFWHTUZOCYHHE-UHFFFAOYSA-N 1 1 473.598 4.854 50 0 JJAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000020998760 195265429 /nfs/dbraw/zinc/26/54/29/195265429.db2.gz ASKXAZRFZMKJQQ-YADARESESA-N 1 1 477.983 4.560 50 0 JJAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000020998760 195265431 /nfs/dbraw/zinc/26/54/31/195265431.db2.gz ASKXAZRFZMKJQQ-YADARESESA-N 1 1 477.983 4.560 50 0 JJAAMO O=C(CCc1nc(-c2cccs2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004400 195265782 /nfs/dbraw/zinc/26/57/82/195265782.db2.gz LTWCABKTVNBMRV-UHFFFAOYSA-N 1 1 458.587 4.665 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccc(SC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098315 195275906 /nfs/dbraw/zinc/27/59/06/195275906.db2.gz OASVFVOPJXGMRO-RUZDIDTESA-N 1 1 496.629 4.590 50 0 aggregator JJAAMO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000021160357 195287210 /nfs/dbraw/zinc/28/72/10/195287210.db2.gz SZNZWSLOCOHPAQ-XMMPIXPASA-N 1 1 487.692 4.990 50 0 JJAAMO COc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000021169353 195289106 /nfs/dbraw/zinc/28/91/06/195289106.db2.gz WPPRCLLWSQWXMJ-SVBPBHIXSA-N 1 1 451.994 4.895 50 0 JJAAMO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)c2)c1 ZINC000021224247 195291476 /nfs/dbraw/zinc/29/14/76/195291476.db2.gz HZIQMUUYQBTWTC-XMMPIXPASA-N 1 1 481.618 4.654 50 0 JJAAMO O=C(c1ccco1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796481 195322440 /nfs/dbraw/zinc/32/24/40/195322440.db2.gz SYLRTBOAJBHYAF-UHFFFAOYSA-N 1 1 467.504 4.782 50 0 JJAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CC[N@@H+](C)C2CCCCC2)CC1 ZINC000021808733 195324192 /nfs/dbraw/zinc/32/41/92/195324192.db2.gz UYOHYYXUXABTDA-HRYTWTRCSA-N 1 1 484.710 4.877 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000058173593 195371068 /nfs/dbraw/zinc/37/10/68/195371068.db2.gz QVWGFKHPACJVJW-NRFANRHFSA-N 1 1 457.481 4.665 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c3cc(Cl)c(Cl)cc3nc2Cc2ccc(C)cc2)CC1 ZINC000096289515 130036282 /nfs/dbraw/zinc/03/62/82/130036282.db2.gz IHXCXSSLLMCMFG-KRWDZBQOSA-N 1 1 459.421 4.967 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000096290479 130040039 /nfs/dbraw/zinc/04/00/39/130040039.db2.gz XUQMEUGLNHWHRG-HNNXBMFYSA-N 1 1 463.384 4.798 50 0 JJAAMO CC(C)c1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036049785 519833044 /nfs/dbraw/zinc/83/30/44/519833044.db2.gz SQISAVPNZLIPQS-UHFFFAOYSA-N 1 1 489.689 4.916 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307812 519881479 /nfs/dbraw/zinc/88/14/79/519881479.db2.gz JNTLSKWNYWFSLN-HSZRJFAPSA-N 1 1 495.595 4.935 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305313 520091497 /nfs/dbraw/zinc/09/14/97/520091497.db2.gz AFVKQNIELBXATK-QFIPXVFZSA-N 1 1 467.610 4.743 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306690 520093594 /nfs/dbraw/zinc/09/35/94/520093594.db2.gz ZKEAWRPXUYHGPJ-NRFANRHFSA-N 1 1 455.574 4.874 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036303264 520094468 /nfs/dbraw/zinc/09/44/68/520094468.db2.gz QHUDANASTXZVHR-UKILVPOCSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000036303264 520094478 /nfs/dbraw/zinc/09/44/78/520094478.db2.gz QHUDANASTXZVHR-UKILVPOCSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036303780 520095287 /nfs/dbraw/zinc/09/52/87/520095287.db2.gz IGEWYQVBHCJCSX-QFIPXVFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036303780 520095296 /nfs/dbraw/zinc/09/52/96/520095296.db2.gz IGEWYQVBHCJCSX-QFIPXVFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000036302802 520155195 /nfs/dbraw/zinc/15/51/95/520155195.db2.gz SESGJUBKCNUQIU-JOCHJYFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000036302802 520155205 /nfs/dbraw/zinc/15/52/05/520155205.db2.gz SESGJUBKCNUQIU-JOCHJYFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cccc4cccnc42)CCO3)C1 ZINC000014991562 520539687 /nfs/dbraw/zinc/53/96/87/520539687.db2.gz PWAASNKCAHDZNL-SANMLTNESA-N 1 1 486.660 4.710 50 0 JJAAMO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(C[N@@H+]1CC[C@H](c3ccccc3)C1)C2=O ZINC000014943615 520784397 /nfs/dbraw/zinc/78/43/97/520784397.db2.gz LVXXXMGOJFEHDB-SAVAPUMLSA-N 1 1 454.570 4.638 50 0 JJAAMO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(C[N@H+]1CC[C@H](c3ccccc3)C1)C2=O ZINC000014943615 520784403 /nfs/dbraw/zinc/78/44/03/520784403.db2.gz LVXXXMGOJFEHDB-SAVAPUMLSA-N 1 1 454.570 4.638 50 0 JJAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302427 520797117 /nfs/dbraw/zinc/79/71/17/520797117.db2.gz GAXSOTVDJLZNEO-JOCHJYFZSA-N 1 1 453.583 4.591 50 0 JJAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302427 520797121 /nfs/dbraw/zinc/79/71/21/520797121.db2.gz GAXSOTVDJLZNEO-JOCHJYFZSA-N 1 1 453.583 4.591 50 0 JJAAMO CCOc1ccc(-c2nc(CSc3nc4c(c(=O)[nH]3)C[N@H+](C(C)C)CC4)c(C)o2)cc1OC ZINC000033287199 520816876 /nfs/dbraw/zinc/81/68/76/520816876.db2.gz DMNZHHVYDDOJQI-UHFFFAOYSA-N 1 1 470.595 4.612 50 0 JJAAMO CCCCOc1ccc(-c2cc3c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)nccn3n2)cc1 ZINC000033266282 520850825 /nfs/dbraw/zinc/85/08/25/520850825.db2.gz XPXUVYMKTBSFPP-UHFFFAOYSA-N 1 1 485.588 4.626 50 0 JJAAMO CCCCOc1ccc(C(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000021793985 520865297 /nfs/dbraw/zinc/86/52/97/520865297.db2.gz YOXGZYWHTMDLKP-UHFFFAOYSA-N 1 1 459.594 4.978 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(OCC)cc3)[C@@H](C)C(C)C)n2)C1 ZINC000036063958 521295294 /nfs/dbraw/zinc/29/52/94/521295294.db2.gz VDSDWQAENIKMIG-UNMCSNQZSA-N 1 1 485.625 4.535 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(OCC)cc3)[C@@H](C)C(C)C)n2)C1 ZINC000036063958 521295304 /nfs/dbraw/zinc/29/53/04/521295304.db2.gz VDSDWQAENIKMIG-UNMCSNQZSA-N 1 1 485.625 4.535 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)CC ZINC000036309238 521534677 /nfs/dbraw/zinc/53/46/77/521534677.db2.gz FHYRAIYUBUFYMA-URXFXBBRSA-N 1 1 458.668 4.859 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036309615 521537266 /nfs/dbraw/zinc/53/72/66/521537266.db2.gz XBXRJYAQGONOTI-BVAGGSTKSA-N 1 1 496.648 4.708 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000065008767 521641588 /nfs/dbraw/zinc/64/15/88/521641588.db2.gz GXPKVPPDKBQFJI-GOSISDBHSA-N 1 1 479.071 4.540 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccccc3C)cc2)CC1 ZINC000020415560 521669737 /nfs/dbraw/zinc/66/97/37/521669737.db2.gz DGQPNFWKTZHFOK-UHFFFAOYSA-N 1 1 485.657 4.858 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036306231 521678305 /nfs/dbraw/zinc/67/83/05/521678305.db2.gz MQHSDKJMMCLRBC-QFIPXVFZSA-N 1 1 467.610 4.886 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036304529 521679367 /nfs/dbraw/zinc/67/93/67/521679367.db2.gz MGJGAOOBAJMSRY-HSZRJFAPSA-N 1 1 467.610 4.980 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036249857 521679626 /nfs/dbraw/zinc/67/96/26/521679626.db2.gz KEVKTXGSNIFCST-HSZRJFAPSA-N 1 1 479.621 4.992 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036303383 521680552 /nfs/dbraw/zinc/68/05/52/521680552.db2.gz XDTWSEDQOIKYNM-IBGZPJMESA-N 1 1 453.583 4.837 50 0 JJAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000016383814 521696291 /nfs/dbraw/zinc/69/62/91/521696291.db2.gz GIQIOZGBNNFJOO-UHFFFAOYSA-N 1 1 451.423 4.571 50 0 JJAAMO CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456363 521753116 /nfs/dbraw/zinc/75/31/16/521753116.db2.gz XPDVUIUPTFTQAV-UHFFFAOYSA-N 1 1 492.623 4.978 50 0 JJAAMO CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456363 521753120 /nfs/dbraw/zinc/75/31/20/521753120.db2.gz XPDVUIUPTFTQAV-UHFFFAOYSA-N 1 1 492.623 4.978 50 0 JJAAMO CCc1ccccc1NC(=O)N1CC[NH+](CCn2c(-c3ccc(C)cc3)nc3cccnc32)CC1 ZINC000033139737 521889372 /nfs/dbraw/zinc/88/93/72/521889372.db2.gz OZFGIPRUESJGCM-UHFFFAOYSA-N 1 1 468.605 4.819 50 0 JJAAMO COc1cc(CN(Cc2ccncc2)C(=O)[C@@H]2CCCC[N@H+]2C)ccc1OC1Cc2ccccc2C1 ZINC000012248052 522361427 /nfs/dbraw/zinc/36/14/27/522361427.db2.gz WBRFOKOTDJENMR-MHZLTWQESA-N 1 1 485.628 4.650 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)C1CCCCC1 ZINC000065002517 522769196 /nfs/dbraw/zinc/76/91/96/522769196.db2.gz LHVDWCTZZOOBNV-UHFFFAOYSA-N 1 1 485.676 4.946 50 0 JJAAMO CC[C@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036308897 522807144 /nfs/dbraw/zinc/80/71/44/522807144.db2.gz ISENYQZDMULMJQ-UGKGYDQZSA-N 1 1 465.059 4.635 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461449 523018937 /nfs/dbraw/zinc/01/89/37/523018937.db2.gz UZYXYRPASISCEP-QFIPXVFZSA-N 1 1 467.683 4.615 50 0 JJAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697084 523139379 /nfs/dbraw/zinc/13/93/79/523139379.db2.gz YWTTUEQOYIPBJE-XMMPIXPASA-N 1 1 455.961 4.586 50 0 JJAAMO CN(Cc1ccc2nccnc2c1)C(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014990236 523284086 /nfs/dbraw/zinc/28/40/86/523284086.db2.gz CXNODHDRGKRMTF-HHHXNRCGSA-N 1 1 452.558 4.614 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000036145838 523881293 /nfs/dbraw/zinc/88/12/93/523881293.db2.gz JZGMICWSAZNANE-IRLDBZIGSA-N 1 1 461.002 4.520 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000036145838 523881299 /nfs/dbraw/zinc/88/12/99/523881299.db2.gz JZGMICWSAZNANE-IRLDBZIGSA-N 1 1 461.002 4.520 50 0 JJAAMO CCc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccc(C)cc4)nc4cccnc43)CC2)cc1 ZINC000033139723 523980612 /nfs/dbraw/zinc/98/06/12/523980612.db2.gz QEXKIMQPHXETMV-UHFFFAOYSA-N 1 1 468.605 4.819 50 0 JJAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096032 524015092 /nfs/dbraw/zinc/01/50/92/524015092.db2.gz YVBNSINDDSRMFD-QFIPXVFZSA-N 1 1 459.945 4.938 50 0 JJAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NC2CCCC2)C1 ZINC000012279369 524093212 /nfs/dbraw/zinc/09/32/12/524093212.db2.gz FZDXBKOBMXIKQM-IBGZPJMESA-N 1 1 450.579 4.752 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115984 524107170 /nfs/dbraw/zinc/10/71/70/524107170.db2.gz UFUFTQYDBKMXNG-OAQYLSRUSA-N 1 1 488.632 4.728 50 0 JJAAMO C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@@H+](C)Cc1ccccc1 ZINC000021811410 524170343 /nfs/dbraw/zinc/17/03/43/524170343.db2.gz WCLOMZOYASIYID-OHIRSEEMSA-N 1 1 490.648 4.666 50 0 JJAAMO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036345686 524176015 /nfs/dbraw/zinc/17/60/15/524176015.db2.gz ZKWFLFZCECNTKH-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020384895 524266174 /nfs/dbraw/zinc/26/61/74/524266174.db2.gz ZWKOWSDZHLSEGL-KDURUIRLSA-N 1 1 495.693 4.598 50 0 JJAAMO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000021880362 524348329 /nfs/dbraw/zinc/34/83/29/524348329.db2.gz GKYBJMYHANPYCX-SFHVURJKSA-N 1 1 481.666 4.694 50 0 JJAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCC[NH+]1CCN(c3cccc(C)c3C)CC1)c2-n1cccc1 ZINC000020465963 524350459 /nfs/dbraw/zinc/35/04/59/524350459.db2.gz KTIKFUPITRKARI-UHFFFAOYSA-N 1 1 487.673 4.873 50 0 JJAAMO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](CC(C)C)C2)c1 ZINC000014744657 524383834 /nfs/dbraw/zinc/38/38/34/524383834.db2.gz DSDQPALBZJSPAX-IZZNHLLZSA-N 1 1 461.650 4.641 50 0 JJAAMO C[C@H](CNS(=O)(=O)c1cccc2cccnc21)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012281420 524492606 /nfs/dbraw/zinc/49/26/06/524492606.db2.gz KWPGROOJRGOTSE-LJQANCHMSA-N 1 1 481.643 4.674 50 0 JJAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014972921 524940179 /nfs/dbraw/zinc/94/01/79/524940179.db2.gz ZEKYIJQKWJEPPC-QFIPXVFZSA-N 1 1 491.639 4.718 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306196 524990905 /nfs/dbraw/zinc/99/09/05/524990905.db2.gz LMFMQGWZYSCVEO-HSZRJFAPSA-N 1 1 479.621 4.886 50 0 JJAAMO Cc1cc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)ccc1Br ZINC000012415429 525157394 /nfs/dbraw/zinc/15/73/94/525157394.db2.gz KIMZOYYZDMVHEZ-UHFFFAOYSA-N 1 1 499.434 4.542 50 0 JJAAMO Cc1cc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)ccc1Br ZINC000012415429 525157400 /nfs/dbraw/zinc/15/74/00/525157400.db2.gz KIMZOYYZDMVHEZ-UHFFFAOYSA-N 1 1 499.434 4.542 50 0 JJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021793973 525322333 /nfs/dbraw/zinc/32/23/33/525322333.db2.gz HWDZDSHWLCHHLY-UHFFFAOYSA-N 1 1 455.484 4.818 50 0 JJAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310130 525433398 /nfs/dbraw/zinc/43/33/98/525433398.db2.gz XHBHCFTYTJAZIQ-FYYLOGMGSA-N 1 1 458.668 4.599 50 0 JJAAMO COc1ccc2cc(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C3CC3)c(N(C)Cc3csc(C)n3)nc2c1 ZINC000012510312 525623617 /nfs/dbraw/zinc/62/36/17/525623617.db2.gz ZMSTXPPQHVXLST-VWLOTQADSA-N 1 1 493.677 4.620 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(F)c2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456312 525820983 /nfs/dbraw/zinc/82/09/83/525820983.db2.gz WQGFNMXRSFYDLJ-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456312 525820991 /nfs/dbraw/zinc/82/09/91/525820991.db2.gz WQGFNMXRSFYDLJ-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016891111 525827291 /nfs/dbraw/zinc/82/72/91/525827291.db2.gz JGBBDVWNWNJPPK-KOSHJBKYSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1cccc(C[C@@H](C2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014983753 526072842 /nfs/dbraw/zinc/07/28/42/526072842.db2.gz ZYLJPWJUKDRHJJ-QHCPKHFHSA-N 1 1 485.028 4.579 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305474 526241814 /nfs/dbraw/zinc/24/18/14/526241814.db2.gz LWOKHKWJQBYRPS-QFIPXVFZSA-N 1 1 465.594 4.638 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150903 526290805 /nfs/dbraw/zinc/29/08/05/526290805.db2.gz MEIVMTOPDVRYDJ-SANMLTNESA-N 1 1 499.611 4.620 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146653 526290825 /nfs/dbraw/zinc/29/08/25/526290825.db2.gz YFVMFKBQGNUKNP-GMAHTHKFSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146653 526290827 /nfs/dbraw/zinc/29/08/27/526290827.db2.gz YFVMFKBQGNUKNP-GMAHTHKFSA-N 1 1 468.956 4.914 50 0 JJAAMO Cc1nn2c(nc(C)c(Cc3ccccc3)c2NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020502091 526310240 /nfs/dbraw/zinc/31/02/40/526310240.db2.gz NBTMMLBPQFGLHX-UHFFFAOYSA-N 1 1 455.606 4.738 50 0 JJAAMO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000014879217 526563299 /nfs/dbraw/zinc/56/32/99/526563299.db2.gz MHLONQFOXOFIRB-SSEXGKCCSA-N 1 1 487.619 4.685 50 0 JJAAMO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000014879217 526563304 /nfs/dbraw/zinc/56/33/04/526563304.db2.gz MHLONQFOXOFIRB-SSEXGKCCSA-N 1 1 487.619 4.685 50 0 JJAAMO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000014881651 526564598 /nfs/dbraw/zinc/56/45/98/526564598.db2.gz CFMHPEIECOBCCU-YZNIXAGQSA-N 1 1 469.629 4.592 50 0 JJAAMO O=C(C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309077 526698022 /nfs/dbraw/zinc/69/80/22/526698022.db2.gz SAYMTBLKFDWUPX-IGKIAQTJSA-N 1 1 490.669 4.569 50 0 JJAAMO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020355111 526725003 /nfs/dbraw/zinc/72/50/03/526725003.db2.gz VOPPEVANQQTQTF-UHFFFAOYSA-N 1 1 461.606 4.896 50 0 JJAAMO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012246486 526989088 /nfs/dbraw/zinc/98/90/88/526989088.db2.gz SDQJFYCIWSKRNG-KRWDZBQOSA-N 1 1 450.892 4.906 50 0 JJAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014742642 527507597 /nfs/dbraw/zinc/50/75/97/527507597.db2.gz RZAZTFZAWJNCBO-VQTJNVASSA-N 1 1 461.528 4.676 50 0 JJAAMO Cn1nc(C(=O)Nc2ccccc2)c2c1CC[N@H+](Cc1ccc(C(=O)NC3CCCCCC3)cc1)C2 ZINC000033280365 527547348 /nfs/dbraw/zinc/54/73/48/527547348.db2.gz MQTVWKCRCOOGBD-UHFFFAOYSA-N 1 1 485.632 4.683 50 0 JJAAMO Cn1nc(C(=O)Nc2ccccc2)c2c1CC[N@@H+](Cc1ccc(C(=O)NC3CCCCCC3)cc1)C2 ZINC000033280365 527547355 /nfs/dbraw/zinc/54/73/55/527547355.db2.gz MQTVWKCRCOOGBD-UHFFFAOYSA-N 1 1 485.632 4.683 50 0 JJAAMO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033269081 527611751 /nfs/dbraw/zinc/61/17/51/527611751.db2.gz ROTRGESUNJSSSW-HXUWFJFHSA-N 1 1 484.019 4.600 50 0 JJAAMO C[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1 ZINC000000729083 553775153 /nfs/dbraw/zinc/77/51/53/553775153.db2.gz LULSTRXNTYSSBO-CQSZACIVSA-N 1 1 476.440 4.922 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1 ZINC000000729083 553775156 /nfs/dbraw/zinc/77/51/56/553775156.db2.gz LULSTRXNTYSSBO-CQSZACIVSA-N 1 1 476.440 4.922 50 0 JJAAMO 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COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000002416129 554195128 /nfs/dbraw/zinc/19/51/28/554195128.db2.gz OGRCPEPCFPPYLK-CLJLJLNGSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1cc2c(cc1OC)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC000002664359 554277456 /nfs/dbraw/zinc/27/74/56/554277456.db2.gz JFUQFWGGJPZUQL-UHFFFAOYSA-N 1 1 464.635 4.746 50 0 JJAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(OC)c(OCC(C)C)c3)C2)cc1OC ZINC000006134878 554506727 /nfs/dbraw/zinc/50/67/27/554506727.db2.gz ITCQFZZVZPVGGY-FQEVSTJZSA-N 1 1 456.583 4.598 50 0 JJAAMO COc1ccc(C=CC(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2)cc1 ZINC000008838128 554739507 /nfs/dbraw/zinc/73/95/07/554739507.db2.gz QPYSJNCGSXSBSN-RYXQVQKZSA-N 1 1 475.570 4.792 50 0 JJAAMO COc1ccc(C=CC(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2)cc1 ZINC000008838128 554739508 /nfs/dbraw/zinc/73/95/08/554739508.db2.gz QPYSJNCGSXSBSN-RYXQVQKZSA-N 1 1 475.570 4.792 50 0 JJAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000009115783 554902899 /nfs/dbraw/zinc/90/28/99/554902899.db2.gz QKFLSYIDYDZHLE-YTTGMZPUSA-N 1 1 456.583 4.757 50 0 JJAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1c3ccccc3ccc1[C@@H]2c1ccccc1 ZINC000009209810 554979062 /nfs/dbraw/zinc/97/90/62/554979062.db2.gz XHUKYKXWQLGFMV-DEOSSOPVSA-N 1 1 452.558 4.524 50 0 JJAAMO CSc1ccc([C@H]2[NH+]=C(N3CCC(Cc4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009287507 555060918 /nfs/dbraw/zinc/06/09/18/555060918.db2.gz HFLAFQSDINRFPS-DEOSSOPVSA-N 1 1 459.619 4.557 50 0 JJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1 ZINC000009287868 555061167 /nfs/dbraw/zinc/06/11/67/555061167.db2.gz SGKWXZNWVOGFCG-JOCHJYFZSA-N 1 1 491.510 4.582 50 0 JJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009291924 555066763 /nfs/dbraw/zinc/06/67/63/555066763.db2.gz AHASVXMLLYWGTO-UKILVPOCSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000009345797 555112198 /nfs/dbraw/zinc/11/21/98/555112198.db2.gz MTFYMHZOZXWHLO-LOSJGSFVSA-N 1 1 456.477 4.647 50 0 JJAAMO CCOc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000009346474 555113261 /nfs/dbraw/zinc/11/32/61/555113261.db2.gz XRJFBULXLWHWTL-SVBPBHIXSA-N 1 1 482.540 4.907 50 0 JJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2C)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009347751 555113716 /nfs/dbraw/zinc/11/37/16/555113716.db2.gz ZCWONBMRJSZABL-IZZNHLLZSA-N 1 1 452.514 4.816 50 0 JJAAMO CCCC[N@@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009432489 555201570 /nfs/dbraw/zinc/20/15/70/555201570.db2.gz XBGKNLSIKIWAAN-DNQXCXABSA-N 1 1 465.619 4.670 50 0 JJAAMO CCCC[N@@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009432490 555201586 /nfs/dbraw/zinc/20/15/86/555201586.db2.gz XBGKNLSIKIWAAN-BJKOFHAPSA-N 1 1 465.619 4.670 50 0 JJAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433779 555204039 /nfs/dbraw/zinc/20/40/39/555204039.db2.gz FJESBMXAQHQHLY-FQEVSTJZSA-N 1 1 473.573 4.623 50 0 JJAAMO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl ZINC000009517114 555309353 /nfs/dbraw/zinc/30/93/53/555309353.db2.gz OGSSWIGEMLHCTK-VWLOTQADSA-N 1 1 463.965 4.945 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013138106 555334730 /nfs/dbraw/zinc/33/47/30/555334730.db2.gz NFTQDDZGZSGPRT-UHFFFAOYSA-N 1 1 480.678 4.686 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674013 555398580 /nfs/dbraw/zinc/39/85/80/555398580.db2.gz JDOPEHPYFZIOCK-BGYRXZFFSA-N 1 1 462.638 4.706 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680660 555408546 /nfs/dbraw/zinc/40/85/46/555408546.db2.gz LUPJMYLIQQHUIP-UHFFFAOYSA-N 1 1 450.583 4.847 50 0 JJAAMO COc1ccc(N(Cc2cccs2)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000009712335 555436372 /nfs/dbraw/zinc/43/63/72/555436372.db2.gz UJCAGXTWGVBJGK-UHFFFAOYSA-N 1 1 463.603 4.641 50 0 JJAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000009619551 555456108 /nfs/dbraw/zinc/45/61/08/555456108.db2.gz KXRNYYLXXSVMQB-UHFFFAOYSA-N 1 1 470.573 4.537 50 0 JJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000009731648 555468754 /nfs/dbraw/zinc/46/87/54/555468754.db2.gz UNJOLXQCSPNXPR-UHFFFAOYSA-N 1 1 475.438 4.802 50 0 JJAAMO COc1cc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000019842734 555509586 /nfs/dbraw/zinc/50/95/86/555509586.db2.gz VPPOOYWDMKKTOO-UHFFFAOYSA-N 1 1 462.615 4.795 50 0 JJAAMO Cc1cccc([C@@H]2C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000019920705 555539513 /nfs/dbraw/zinc/53/95/13/555539513.db2.gz UKPBKCPVFFLQMK-MUUNZHRXSA-N 1 1 477.612 4.978 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000009835768 555541123 /nfs/dbraw/zinc/54/11/23/555541123.db2.gz ZONPMJINROAUIX-VSGBNLITSA-N 1 1 485.628 4.634 50 0 JJAAMO Cc1ncsc1CCCNC(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020119004 555655224 /nfs/dbraw/zinc/65/52/24/555655224.db2.gz PZBDIWGQYVQSOC-QHCPKHFHSA-N 1 1 453.583 4.665 50 0 JJAAMO COc1ccc(OC)c(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)c1 ZINC000020137594 555661344 /nfs/dbraw/zinc/66/13/44/555661344.db2.gz XOYIVKXLQVLRKB-UHFFFAOYSA-N 1 1 483.568 4.906 50 0 JJAAMO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1 ZINC000020153593 555672754 /nfs/dbraw/zinc/67/27/54/555672754.db2.gz BBWHXOQENNFADX-QHCPKHFHSA-N 1 1 482.742 4.626 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1 ZINC000020153593 555672756 /nfs/dbraw/zinc/67/27/56/555672756.db2.gz BBWHXOQENNFADX-QHCPKHFHSA-N 1 1 482.742 4.626 50 0 JJAAMO CCOC(=O)CCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020167563 555678116 /nfs/dbraw/zinc/67/81/16/555678116.db2.gz XCWPFXWQPOLATR-UHFFFAOYSA-N 1 1 499.611 4.516 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181216 555687914 /nfs/dbraw/zinc/68/79/14/555687914.db2.gz HBISQAVZEBSZAE-VKINRBECSA-N 1 1 467.610 4.544 50 0 JJAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000020181670 555689217 /nfs/dbraw/zinc/68/92/17/555689217.db2.gz SBYGSVPKRWBLAW-MSPRMREJSA-N 1 1 477.674 4.967 50 0 JJAAMO COc1ccccc1Nc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000020212532 555705875 /nfs/dbraw/zinc/70/58/75/555705875.db2.gz REDSMVNZYIRPTD-UHFFFAOYSA-N 1 1 452.558 4.945 50 0 JJAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014184988 555726341 /nfs/dbraw/zinc/72/63/41/555726341.db2.gz QJLGNTINFPMPTL-MOPGFXCFSA-N 1 1 455.649 4.745 50 0 JJAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014184988 555726343 /nfs/dbraw/zinc/72/63/43/555726343.db2.gz QJLGNTINFPMPTL-MOPGFXCFSA-N 1 1 455.649 4.745 50 0 JJAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000014189077 555728200 /nfs/dbraw/zinc/72/82/00/555728200.db2.gz FARAWFDAGNOCHA-HHHXNRCGSA-N 1 1 457.574 4.685 50 0 JJAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000014199475 555731013 /nfs/dbraw/zinc/73/10/13/555731013.db2.gz OOWAZRKIWXXXBM-OYRHEFFESA-N 1 1 499.677 4.501 50 0 JJAAMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014242389 555744328 /nfs/dbraw/zinc/74/43/28/555744328.db2.gz CDHCBXCZTHDYAG-QHCPKHFHSA-N 1 1 459.615 4.730 50 0 JJAAMO CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)c1 ZINC000020532233 555801328 /nfs/dbraw/zinc/80/13/28/555801328.db2.gz GHFHJOYZGDZIJJ-KRWDZBQOSA-N 1 1 466.607 4.976 50 0 JJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](CC3CCCCC3)C2)cc1 ZINC000011789884 555825355 /nfs/dbraw/zinc/82/53/55/555825355.db2.gz HDGPZUQMGOFGDW-RPBOFIJWSA-N 1 1 478.662 4.775 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CCCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014538886 555828680 /nfs/dbraw/zinc/82/86/80/555828680.db2.gz AZLLABRAMCTLLB-IZZNHLLZSA-N 1 1 473.661 4.744 50 0 JJAAMO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c12 ZINC000020579134 555833914 /nfs/dbraw/zinc/83/39/14/555833914.db2.gz IJXLXWAQNVXAFU-QGZVFWFLSA-N 1 1 454.018 4.993 50 0 JJAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000020776164 555848016 /nfs/dbraw/zinc/84/80/16/555848016.db2.gz ZONFHCPKJJEKHH-RPLLCQBOSA-N 1 1 482.068 4.770 50 0 JJAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000020776164 555848018 /nfs/dbraw/zinc/84/80/18/555848018.db2.gz ZONFHCPKJJEKHH-RPLLCQBOSA-N 1 1 482.068 4.770 50 0 JJAAMO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)c2ccco2)CC1 ZINC000011905254 555853367 /nfs/dbraw/zinc/85/33/67/555853367.db2.gz FQSORRDLLVNODP-LJQANCHMSA-N 1 1 458.356 4.900 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)C[C@H]2C)c1 ZINC000021934650 555857558 /nfs/dbraw/zinc/85/75/58/555857558.db2.gz DNAOJOAECSRQIU-HSZRJFAPSA-N 1 1 479.628 4.936 50 0 JJAAMO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cc(CC(C)C)[nH]n1)CC2 ZINC000011911619 555859535 /nfs/dbraw/zinc/85/95/35/555859535.db2.gz PQQYCXFBDRKGMU-SXOMAYOGSA-N 1 1 492.689 4.632 50 0 JJAAMO COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015066853 555867145 /nfs/dbraw/zinc/86/71/45/555867145.db2.gz FHAPJGUZXGZTLU-IRLDBZIGSA-N 1 1 460.496 4.505 50 0 JJAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cn2cccn2)c1)Cc1cccc2cccnc21 ZINC000011978252 555875879 /nfs/dbraw/zinc/87/58/79/555875879.db2.gz LZWGPSNSVGZSFI-MHZLTWQESA-N 1 1 497.643 4.914 50 0 JJAAMO O=C(CN1c2cccc3cccc(c23)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015228963 555888369 /nfs/dbraw/zinc/88/83/69/555888369.db2.gz XZTATXJJLZEDGA-UHFFFAOYSA-N 1 1 461.565 4.734 50 0 JJAAMO CCCCN(C)C(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000012036107 555889154 /nfs/dbraw/zinc/88/91/54/555889154.db2.gz CIZIGGXXQOFIOO-HXUWFJFHSA-N 1 1 452.595 4.952 50 0 JJAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041105 555893769 /nfs/dbraw/zinc/89/37/69/555893769.db2.gz GXTLJHFHZIEEMN-HSZRJFAPSA-N 1 1 479.628 4.813 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](C/C=C/c2ccccc2)CC3)c1 ZINC000012041550 555894083 /nfs/dbraw/zinc/89/40/83/555894083.db2.gz LZGITJZZKNWHHW-MUNMYPBESA-N 1 1 471.649 4.984 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2C2CC2)nc1-c1cccs1 ZINC000012047569 555895446 /nfs/dbraw/zinc/89/54/46/555895446.db2.gz XQXSQHWUCYZIQU-PZJWPPBQSA-N 1 1 476.650 4.571 50 0 JJAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000015307449 555895649 /nfs/dbraw/zinc/89/56/49/555895649.db2.gz UPTORVXRSAUJCG-SFHVURJKSA-N 1 1 459.493 4.827 50 0 JJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000015318877 555896927 /nfs/dbraw/zinc/89/69/27/555896927.db2.gz MEMMJGXLTRSCSG-UWJYYQICSA-N 1 1 484.522 4.935 50 0 JJAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000015410904 555904437 /nfs/dbraw/zinc/90/44/37/555904437.db2.gz NNMUZHQPJLFICC-UHFFFAOYSA-N 1 1 462.619 4.705 50 0 JJAAMO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000015410904 555904441 /nfs/dbraw/zinc/90/44/41/555904441.db2.gz NNMUZHQPJLFICC-UHFFFAOYSA-N 1 1 462.619 4.705 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4C)C3)n2)cc1OC ZINC000015726274 555963998 /nfs/dbraw/zinc/96/39/98/555963998.db2.gz OTSDXJCWPATKDB-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4C)C3)n2)cc1OC ZINC000015726274 555963999 /nfs/dbraw/zinc/96/39/99/555963999.db2.gz OTSDXJCWPATKDB-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4C)C3)n2)cc1OC ZINC000015726276 555964351 /nfs/dbraw/zinc/96/43/51/555964351.db2.gz SUTUVDMBAJCVMX-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4C)C3)n2)cc1OC ZINC000015726276 555964353 /nfs/dbraw/zinc/96/43/53/555964353.db2.gz SUTUVDMBAJCVMX-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cc4C)CC3)n2)cc1OC ZINC000015726497 555965173 /nfs/dbraw/zinc/96/51/73/555965173.db2.gz NDQYJADBEYTGIW-UHFFFAOYSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4C)CC3)n2)cc1OC ZINC000015726520 555965203 /nfs/dbraw/zinc/96/52/03/555965203.db2.gz YUQHBPHXLKXMFC-UHFFFAOYSA-N 1 1 470.957 4.566 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C[C@@H]2C)c1 ZINC000015727127 555966311 /nfs/dbraw/zinc/96/63/11/555966311.db2.gz HCGHITBZEOLBQC-QHCPKHFHSA-N 1 1 489.664 4.688 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000012456123 555981552 /nfs/dbraw/zinc/98/15/52/555981552.db2.gz KGRBWKKPSZLAPT-OAQYLSRUSA-N 1 1 484.629 4.581 50 0 JJAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000023074286 556004641 /nfs/dbraw/zinc/00/46/41/556004641.db2.gz ZAOIMWQOKOOKGC-HXUWFJFHSA-N 1 1 477.630 4.955 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000015825051 556013313 /nfs/dbraw/zinc/01/33/13/556013313.db2.gz JSBDMEJAIOUQCU-UHFFFAOYSA-N 1 1 452.946 4.545 50 0 JJAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1)OCCCO4 ZINC000012549529 556029535 /nfs/dbraw/zinc/02/95/35/556029535.db2.gz ZMRPUGZRPROGLY-HSZRJFAPSA-N 1 1 493.926 4.665 50 0 JJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860507 556031809 /nfs/dbraw/zinc/03/18/09/556031809.db2.gz OPHAEVABGDCPRD-SFHVURJKSA-N 1 1 473.367 4.660 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334412 556043990 /nfs/dbraw/zinc/04/39/90/556043990.db2.gz YDOZLNRDTHNSKY-VWLOTQADSA-N 1 1 457.622 4.948 50 0 JJAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023334412 556043994 /nfs/dbraw/zinc/04/39/94/556043994.db2.gz YDOZLNRDTHNSKY-VWLOTQADSA-N 1 1 457.622 4.948 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023334412 556043998 /nfs/dbraw/zinc/04/39/98/556043998.db2.gz YDOZLNRDTHNSKY-VWLOTQADSA-N 1 1 457.622 4.948 50 0 JJAAMO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000012564294 556060108 /nfs/dbraw/zinc/06/01/08/556060108.db2.gz UIUKWCWHBJLKKF-UHFFFAOYSA-N 1 1 464.031 4.607 50 0 JJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1I ZINC000015946349 556082906 /nfs/dbraw/zinc/08/29/06/556082906.db2.gz UFLVCKIGSJEZAU-KRWDZBQOSA-N 1 1 483.375 4.557 50 0 JJAAMO CC[N@@H+](CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1)Cc1ccccc1 ZINC000015951898 556086818 /nfs/dbraw/zinc/08/68/18/556086818.db2.gz KHRRAJSWMKPZAS-UHFFFAOYSA-N 1 1 462.619 4.952 50 0 JJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000015958442 556089973 /nfs/dbraw/zinc/08/99/73/556089973.db2.gz MGXWFQMOWOODPK-JKJMAWGESA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000015958442 556089977 /nfs/dbraw/zinc/08/99/77/556089977.db2.gz MGXWFQMOWOODPK-JKJMAWGESA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000015967915 556094170 /nfs/dbraw/zinc/09/41/70/556094170.db2.gz NWZOJQQDEHLRJJ-JITMLBNLSA-N 1 1 491.591 4.626 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCc3nnc4n3-c3ccccc3CC4)c2c1C ZINC000012736772 556105784 /nfs/dbraw/zinc/10/57/84/556105784.db2.gz NKMBZTKWPVCVKX-UHFFFAOYSA-N 1 1 473.650 4.831 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016039240 556121195 /nfs/dbraw/zinc/12/11/95/556121195.db2.gz DKJAHZZQFYZUCD-LIONHTAISA-N 1 1 450.538 4.970 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016039240 556121198 /nfs/dbraw/zinc/12/11/98/556121198.db2.gz DKJAHZZQFYZUCD-LIONHTAISA-N 1 1 450.538 4.970 50 0 JJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c2cccs2)cc1 ZINC000012975540 556167824 /nfs/dbraw/zinc/16/78/24/556167824.db2.gz RSUPJIFEFOZUPS-JOCHJYFZSA-N 1 1 471.508 4.974 50 0 JJAAMO COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016891108 556172157 /nfs/dbraw/zinc/17/21/57/556172157.db2.gz JGBBDVWNWNJPPK-UUOWRZLLSA-N 1 1 453.583 4.578 50 0 JJAAMO C[C@H](NC(=O)c1ccc(N(C)C)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891063 556172182 /nfs/dbraw/zinc/17/21/82/556172182.db2.gz KVEZUMMMJLUUKI-UQBPGWFLSA-N 1 1 466.626 4.635 50 0 JJAAMO COc1ccccc1C(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891141 556172599 /nfs/dbraw/zinc/17/25/99/556172599.db2.gz ISUXUBYNFDANJC-UUOWRZLLSA-N 1 1 453.583 4.578 50 0 JJAAMO CN(C(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1C(=O)NCc1ccco1 ZINC000012983435 556176646 /nfs/dbraw/zinc/17/66/46/556176646.db2.gz WSUMKHUFQIGYFE-IBGZPJMESA-N 1 1 488.613 4.662 50 0 JJAAMO CN(C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1C(=O)NCc1ccco1 ZINC000012983435 556176648 /nfs/dbraw/zinc/17/66/48/556176648.db2.gz WSUMKHUFQIGYFE-IBGZPJMESA-N 1 1 488.613 4.662 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1 ZINC000017012453 556202449 /nfs/dbraw/zinc/20/24/49/556202449.db2.gz FCWCDLGBSFCQDH-UHFFFAOYSA-N 1 1 471.483 4.518 50 0 JJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000017012807 556202853 /nfs/dbraw/zinc/20/28/53/556202853.db2.gz FNTRTQOSKKGJSZ-UHFFFAOYSA-N 1 1 485.613 4.707 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000025390576 556212167 /nfs/dbraw/zinc/21/21/67/556212167.db2.gz MMCCAGCJBZWYEP-FQEVSTJZSA-N 1 1 491.657 4.942 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000025390576 556212168 /nfs/dbraw/zinc/21/21/68/556212168.db2.gz MMCCAGCJBZWYEP-FQEVSTJZSA-N 1 1 491.657 4.942 50 0 JJAAMO CC(C)C[NH+](CC(C)C)Cn1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)oc1=S ZINC000013063461 556260153 /nfs/dbraw/zinc/26/01/53/556260153.db2.gz TYCVHPAEFCHEKJ-UHFFFAOYSA-N 1 1 466.673 4.619 50 0 JJAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2cc(=O)n3ccsc3n2)cc1C ZINC000027375678 556277281 /nfs/dbraw/zinc/27/72/81/556277281.db2.gz PNGJTFZWSBJKHD-UHFFFAOYSA-N 1 1 455.587 4.858 50 0 JJAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2cc(=O)n3ccsc3n2)cc1C ZINC000027375678 556277282 /nfs/dbraw/zinc/27/72/82/556277282.db2.gz PNGJTFZWSBJKHD-UHFFFAOYSA-N 1 1 455.587 4.858 50 0 JJAAMO O=C(NCc1ccccc1)C1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000029188727 556348879 /nfs/dbraw/zinc/34/88/79/556348879.db2.gz LJZUQXCLJCSGNX-UHFFFAOYSA-N 1 1 451.792 4.510 50 0 JJAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000029508150 556352548 /nfs/dbraw/zinc/35/25/48/556352548.db2.gz WLXDQSQNPFVTCV-UHFFFAOYSA-N 1 1 463.553 4.913 50 0 JJAAMO COc1ccc(Br)c(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC000029652585 556354770 /nfs/dbraw/zinc/35/47/70/556354770.db2.gz BRYCZRVFFHNRMR-UHFFFAOYSA-N 1 1 460.759 4.622 50 0 JJAAMO COc1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793716 556373015 /nfs/dbraw/zinc/37/30/15/556373015.db2.gz FWFCBPLLUTXKAB-UHFFFAOYSA-N 1 1 453.586 4.752 50 0 JJAAMO Cc1cccn2cc(COc3ccccc3C(=O)N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nc12 ZINC000030897816 556387777 /nfs/dbraw/zinc/38/77/77/556387777.db2.gz NUWRJXASXCYFEQ-UHFFFAOYSA-N 1 1 472.564 4.709 50 0 JJAAMO Cc1cccn2cc(COc3ccccc3C(=O)N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc12 ZINC000030897816 556387780 /nfs/dbraw/zinc/38/77/80/556387780.db2.gz NUWRJXASXCYFEQ-UHFFFAOYSA-N 1 1 472.564 4.709 50 0 JJAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000032851166 556510970 /nfs/dbraw/zinc/51/09/70/556510970.db2.gz IDBBYEAGJPHUIL-UHFFFAOYSA-N 1 1 487.600 4.957 50 0 JJAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000034783167 563115075 /nfs/dbraw/zinc/11/50/75/563115075.db2.gz XBDLIAMFDAPGOF-RDGATRHJSA-N 1 1 493.604 4.691 50 0 JJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000034783167 563115076 /nfs/dbraw/zinc/11/50/76/563115076.db2.gz XBDLIAMFDAPGOF-RDGATRHJSA-N 1 1 493.604 4.691 50 0 JJAAMO C[C@@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000040951976 563159731 /nfs/dbraw/zinc/15/97/31/563159731.db2.gz DRIMIUYGTDAQOX-KRWDZBQOSA-N 1 1 462.981 4.592 50 0 in-vitro JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccs4)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000055155002 569591014 /nfs/dbraw/zinc/59/10/14/569591014.db2.gz OPLMZGWMWVIJSA-UHFFFAOYSA-N 1 1 485.531 4.885 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000057129043 569594565 /nfs/dbraw/zinc/59/45/65/569594565.db2.gz MMBQBRVBTJYOJS-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000057129043 569594567 /nfs/dbraw/zinc/59/45/67/569594567.db2.gz MMBQBRVBTJYOJS-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 JJAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000057312238 569596268 /nfs/dbraw/zinc/59/62/68/569596268.db2.gz JTNXFYXJRQTFPV-AREMUKBSSA-N 1 1 473.573 4.740 50 0 JJAAMO C[C@H]1CCc2c(sc3nc(CC[N@H+]4CCCN(c5ccc(C(F)(F)F)cn5)CC4)nc(N)c23)C1 ZINC000008718764 569597173 /nfs/dbraw/zinc/59/71/73/569597173.db2.gz PYKAOOMXPZGHBA-HNNXBMFYSA-N 1 1 490.599 4.567 50 0 JJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)C1 ZINC000032983621 569606837 /nfs/dbraw/zinc/60/68/37/569606837.db2.gz CZGSQJHYYDYXRJ-PGECNJAHSA-N 1 1 453.970 4.564 50 0 JJAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000060207263 569608508 /nfs/dbraw/zinc/60/85/08/569608508.db2.gz JALYRGWJFKKHLB-AWEZNQCLSA-N 1 1 462.438 4.760 50 0 JJAAMO O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000060355298 569608783 /nfs/dbraw/zinc/60/87/83/569608783.db2.gz ZXVMNUFYKOVGMC-UHFFFAOYSA-N 1 1 456.512 4.672 50 0 JJAAMO COc1cc(C[N@@H+](C)Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)ccc1OC(F)F ZINC000062582569 569612009 /nfs/dbraw/zinc/61/20/09/569612009.db2.gz MXVXYPOUEPBXDC-UHFFFAOYSA-N 1 1 458.383 4.600 50 0 JJAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000062736086 569614937 /nfs/dbraw/zinc/61/49/37/569614937.db2.gz KVBANBNUAJPTTO-RUZDIDTESA-N 1 1 483.659 4.549 50 0 JJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)[nH+]1 ZINC000033014161 569617888 /nfs/dbraw/zinc/61/78/88/569617888.db2.gz XVZIYICZJADJPO-UHFFFAOYSA-N 1 1 455.518 4.878 50 0 JJAAMO Cc1nc(Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033014161 569617890 /nfs/dbraw/zinc/61/78/90/569617890.db2.gz XVZIYICZJADJPO-UHFFFAOYSA-N 1 1 455.518 4.878 50 0 JJAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801094 569631442 /nfs/dbraw/zinc/63/14/42/569631442.db2.gz SUHHIFKEOGKPAQ-UHFFFAOYSA-N 1 1 457.456 4.636 50 0 JJAAMO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064801893 569631561 /nfs/dbraw/zinc/63/15/61/569631561.db2.gz CVAFSXHQCZBONV-UHFFFAOYSA-N 1 1 451.596 4.882 50 0 JJAAMO COc1cc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)cc1C ZINC000064802099 569631769 /nfs/dbraw/zinc/63/17/69/569631769.db2.gz MMNZRRJRQWMNPI-UHFFFAOYSA-N 1 1 467.595 4.555 50 0 JJAAMO COc1ccccc1N1CC[NH+](Cc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000034668517 569640530 /nfs/dbraw/zinc/64/05/30/569640530.db2.gz AYSVTDARXLYCGO-UHFFFAOYSA-N 1 1 483.534 4.966 50 0 JJAAMO CCc1ccc(N(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683821 569644628 /nfs/dbraw/zinc/64/46/28/569644628.db2.gz LNVQKKKNTIDDTG-UHFFFAOYSA-N 1 1 492.641 4.880 50 0 JJAAMO Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000034683864 569644656 /nfs/dbraw/zinc/64/46/56/569644656.db2.gz YAOLEVJQSQCCJP-UHFFFAOYSA-N 1 1 470.616 4.645 50 0 JJAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)NCc4cccc(C(F)(F)F)c4)c3)CC2)c1 ZINC000034684816 569645004 /nfs/dbraw/zinc/64/50/04/569645004.db2.gz XHSANLFBWLGFKW-UHFFFAOYSA-N 1 1 483.534 4.966 50 0 JJAAMO C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@@H+]1Cc1ccccc1Cl ZINC000034707979 569650155 /nfs/dbraw/zinc/65/01/55/569650155.db2.gz HOEZTBPWTRMNGE-QGZVFWFLSA-N 1 1 458.953 4.902 50 0 JJAAMO C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@H+]1Cc1ccccc1Cl ZINC000034707979 569650156 /nfs/dbraw/zinc/65/01/56/569650156.db2.gz HOEZTBPWTRMNGE-QGZVFWFLSA-N 1 1 458.953 4.902 50 0 JJAAMO CC[N@@H+]1CCc2c(c(CN(CC3CC3)C(=O)Nc3cccc(OC)c3)nn2-c2ccccc2)C1 ZINC000034762482 569657969 /nfs/dbraw/zinc/65/79/69/569657969.db2.gz IKCHBGMYJCXFPC-UHFFFAOYSA-N 1 1 459.594 4.703 50 0 JJAAMO CC[N@H+]1CCc2c(c(CN(CC3CC3)C(=O)Nc3cccc(OC)c3)nn2-c2ccccc2)C1 ZINC000034762482 569657970 /nfs/dbraw/zinc/65/79/70/569657970.db2.gz IKCHBGMYJCXFPC-UHFFFAOYSA-N 1 1 459.594 4.703 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787273 569659636 /nfs/dbraw/zinc/65/96/36/569659636.db2.gz PRELZQDZVVFEGS-AMGIVPHBSA-N 1 1 481.706 4.973 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787273 569659637 /nfs/dbraw/zinc/65/96/37/569659637.db2.gz PRELZQDZVVFEGS-AMGIVPHBSA-N 1 1 481.706 4.973 50 0 JJAAMO Fc1cccc(-c2noc(-c3ccc(N4CC[NH+](CCOc5ccc(Cl)cc5)CC4)nc3)n2)c1 ZINC000065097925 569661689 /nfs/dbraw/zinc/66/16/89/569661689.db2.gz XLISCMNFFKAORK-UHFFFAOYSA-N 1 1 479.943 4.792 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034829817 569663324 /nfs/dbraw/zinc/66/33/24/569663324.db2.gz CJEXOCZIZAJQJT-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034829817 569663325 /nfs/dbraw/zinc/66/33/25/569663325.db2.gz CJEXOCZIZAJQJT-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1 ZINC000034859851 569667782 /nfs/dbraw/zinc/66/77/82/569667782.db2.gz LVDTUGBYJFGYIO-BDYUSTAISA-N 1 1 469.585 4.793 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1 ZINC000034859851 569667784 /nfs/dbraw/zinc/66/77/84/569667784.db2.gz LVDTUGBYJFGYIO-BDYUSTAISA-N 1 1 469.585 4.793 50 0 JJAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286885 569684020 /nfs/dbraw/zinc/68/40/20/569684020.db2.gz GNJYSDORRLVGPJ-RUZDIDTESA-N 1 1 479.646 4.534 50 0 JJAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286885 569684021 /nfs/dbraw/zinc/68/40/21/569684021.db2.gz GNJYSDORRLVGPJ-RUZDIDTESA-N 1 1 479.646 4.534 50 0 JJAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)Cc1ccccc1 ZINC000035398629 569689055 /nfs/dbraw/zinc/68/90/55/569689055.db2.gz PHRYOOMQNSPFQK-UHFFFAOYSA-N 1 1 475.612 4.528 50 0 JJAAMO CCOCCCNC(=O)C1CC[NH+]([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)CC1 ZINC000069598790 569693414 /nfs/dbraw/zinc/69/34/14/569693414.db2.gz WBHUFZWTCDVUCQ-HSZRJFAPSA-N 1 1 492.447 4.928 50 0 JJAAMO CCCN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000035561576 569704595 /nfs/dbraw/zinc/70/45/95/569704595.db2.gz GYOMVTDTLXHTJJ-UHFFFAOYSA-N 1 1 476.640 4.595 50 0 JJAAMO C[N@H+]1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1 ZINC000084727591 569709596 /nfs/dbraw/zinc/70/95/96/569709596.db2.gz KGBPLKOPSFDBOX-CJLVFECKSA-N 1 1 461.949 4.870 50 0 in-vitro JJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000035829943 569713247 /nfs/dbraw/zinc/71/32/47/569713247.db2.gz DJMFSEKRFSDDHX-KKVCJECGSA-N 1 1 458.558 4.875 50 0 JJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000035829943 569713248 /nfs/dbraw/zinc/71/32/48/569713248.db2.gz DJMFSEKRFSDDHX-KKVCJECGSA-N 1 1 458.558 4.875 50 0 JJAAMO COCC[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000035840678 569713713 /nfs/dbraw/zinc/71/37/13/569713713.db2.gz BUEAYCXWXJEIFH-NDEPHWFRSA-N 1 1 464.650 4.860 50 0 JJAAMO COc1ccc(OC[C@@H](O)C[N@@H+](CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000035840563 569713786 /nfs/dbraw/zinc/71/37/86/569713786.db2.gz ZBMDOOLBSXAQMX-VWLOTQADSA-N 1 1 454.586 4.972 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000035844087 569714860 /nfs/dbraw/zinc/71/48/60/569714860.db2.gz SJKMJYHPFIFAPZ-BJESRGMDSA-N 1 1 478.976 4.788 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1c3ccccc3C=C[N@H+]1[C@@H]2C(=O)C(C)(C)C ZINC000035844087 569714861 /nfs/dbraw/zinc/71/48/61/569714861.db2.gz SJKMJYHPFIFAPZ-BJESRGMDSA-N 1 1 478.976 4.788 50 0 JJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)o1 ZINC000035844888 569715684 /nfs/dbraw/zinc/71/56/84/569715684.db2.gz YKGMKLMKZQQNIN-SANMLTNESA-N 1 1 464.581 4.980 50 0 JJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)o1 ZINC000035844888 569715685 /nfs/dbraw/zinc/71/56/85/569715685.db2.gz YKGMKLMKZQQNIN-SANMLTNESA-N 1 1 464.581 4.980 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872066 569719122 /nfs/dbraw/zinc/71/91/22/569719122.db2.gz ZUOSWMRSYAMCFH-XNMGPUDCSA-N 1 1 494.010 4.667 50 0 JJAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907821 569723482 /nfs/dbraw/zinc/72/34/82/569723482.db2.gz FJFFUYYYIDLHJM-ISKFKSNPSA-N 1 1 459.556 4.731 50 0 JJAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908088 569723783 /nfs/dbraw/zinc/72/37/83/569723783.db2.gz JJZBCNJDHMORGL-JTHBVZDNSA-N 1 1 477.596 4.731 50 0 JJAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908081 569723861 /nfs/dbraw/zinc/72/38/61/569723861.db2.gz BFKXPQQAJYTDHD-ISKFKSNPSA-N 1 1 475.530 4.766 50 0 JJAAMO Cc1ncc(C[NH+]2CCN(c3ccccc3)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095474435 569724032 /nfs/dbraw/zinc/72/40/32/569724032.db2.gz ROMLUQGHQDAYOT-UHFFFAOYSA-N 1 1 495.535 4.961 50 0 JJAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccs4)n3-c3ccccc3F)c2)CC1 ZINC000095544477 569726966 /nfs/dbraw/zinc/72/69/66/569726966.db2.gz VDDSGZFZIKRWFV-UHFFFAOYSA-N 1 1 493.633 4.815 50 0 JJAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CC[NH+](Cc3ccc(OC)cc3)CC2)n1 ZINC000035924678 569728140 /nfs/dbraw/zinc/72/81/40/569728140.db2.gz AIWUXBUNUXPYHN-UHFFFAOYSA-N 1 1 470.621 4.797 50 0 JJAAMO COc1ccc(C[N@H+]2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925693 569728986 /nfs/dbraw/zinc/72/89/86/569728986.db2.gz RYOUWKUDYWUTRD-UHFFFAOYSA-N 1 1 470.621 4.735 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccco4)n3-c3cccc(C)c3)c2)CC1 ZINC000095925554 569730260 /nfs/dbraw/zinc/73/02/60/569730260.db2.gz ONWMPABKJPINPK-UHFFFAOYSA-N 1 1 487.629 4.906 50 0 JJAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](CC(C)C)CC3)n2)cc1 ZINC000035927819 569730679 /nfs/dbraw/zinc/73/06/79/569730679.db2.gz IAIVWEAWDPAXPL-UHFFFAOYSA-N 1 1 454.622 4.883 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211352 569738447 /nfs/dbraw/zinc/73/84/47/569738447.db2.gz GMUKHSZZUWCISN-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211352 569738449 /nfs/dbraw/zinc/73/84/49/569738449.db2.gz GMUKHSZZUWCISN-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043005 569754323 /nfs/dbraw/zinc/75/43/23/569754323.db2.gz FRHKGBAMJKIZDK-PPHZAIPVSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043005 569754324 /nfs/dbraw/zinc/75/43/24/569754324.db2.gz FRHKGBAMJKIZDK-PPHZAIPVSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043107 569754653 /nfs/dbraw/zinc/75/46/53/569754653.db2.gz ZJXOVCGGJLJHML-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043107 569754654 /nfs/dbraw/zinc/75/46/54/569754654.db2.gz ZJXOVCGGJLJHML-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO CC1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036250453 569758263 /nfs/dbraw/zinc/75/82/63/569758263.db2.gz XXYIVUBWSFYNOO-QFIPXVFZSA-N 1 1 466.453 4.569 50 0 JJAAMO CC1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000036250452 569758332 /nfs/dbraw/zinc/75/83/32/569758332.db2.gz XXYIVUBWSFYNOO-JOCHJYFZSA-N 1 1 466.453 4.569 50 0 JJAAMO CC1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000036250457 569758375 /nfs/dbraw/zinc/75/83/75/569758375.db2.gz FVOLMUXYDNIESZ-QFIPXVFZSA-N 1 1 466.453 4.569 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036301499 569759006 /nfs/dbraw/zinc/75/90/06/569759006.db2.gz RGGDDBLDOGHKIX-RUZDIDTESA-N 1 1 471.601 4.931 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313801 569761254 /nfs/dbraw/zinc/76/12/54/569761254.db2.gz CJKYUTHMVSGJPQ-HSZRJFAPSA-N 1 1 497.636 4.514 50 0 JJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036313882 569761424 /nfs/dbraw/zinc/76/14/24/569761424.db2.gz ZESKJZIGYYHMLE-DEOSSOPVSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036313882 569761427 /nfs/dbraw/zinc/76/14/27/569761427.db2.gz ZESKJZIGYYHMLE-DEOSSOPVSA-N 1 1 499.627 4.992 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2Cl)C1 ZINC000036341005 569764159 /nfs/dbraw/zinc/76/41/59/569764159.db2.gz ZVDYYTZAQRTFDU-SBUREZEXSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2Cl)C1 ZINC000036341005 569764160 /nfs/dbraw/zinc/76/41/60/569764160.db2.gz ZVDYYTZAQRTFDU-SBUREZEXSA-N 1 1 488.415 4.946 50 0 JJAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3cc(OC)ccc3OC)C2)c1 ZINC000036341759 569764673 /nfs/dbraw/zinc/76/46/73/569764673.db2.gz DYTTZUOQIJROHY-SANMLTNESA-N 1 1 473.573 4.522 50 0 JJAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3cc(OC)ccc3OC)C2)c1 ZINC000036341759 569764674 /nfs/dbraw/zinc/76/46/74/569764674.db2.gz DYTTZUOQIJROHY-SANMLTNESA-N 1 1 473.573 4.522 50 0 JJAAMO C[N@H+](CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341809 569764896 /nfs/dbraw/zinc/76/48/96/569764896.db2.gz ONDGBADYYIOSDE-QHCPKHFHSA-N 1 1 461.949 4.878 50 0 JJAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341809 569764898 /nfs/dbraw/zinc/76/48/98/569764898.db2.gz ONDGBADYYIOSDE-QHCPKHFHSA-N 1 1 461.949 4.878 50 0 JJAAMO C[N@H+](CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341810 569764922 /nfs/dbraw/zinc/76/49/22/569764922.db2.gz ONDGBADYYIOSDE-HSZRJFAPSA-N 1 1 461.949 4.878 50 0 JJAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000036341810 569764923 /nfs/dbraw/zinc/76/49/23/569764923.db2.gz ONDGBADYYIOSDE-HSZRJFAPSA-N 1 1 461.949 4.878 50 0 JJAAMO Cc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343672 569766545 /nfs/dbraw/zinc/76/65/45/569766545.db2.gz UEFHZLNCHQGQMA-NDEPHWFRSA-N 1 1 470.592 4.630 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036344234 569766916 /nfs/dbraw/zinc/76/69/16/569766916.db2.gz IDLXGHYYISGLEM-QHCPKHFHSA-N 1 1 455.986 4.767 50 0 JJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344569 569767029 /nfs/dbraw/zinc/76/70/29/569767029.db2.gz MSOCPLXETAYYOE-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)cc1 ZINC000036344744 569767220 /nfs/dbraw/zinc/76/72/20/569767220.db2.gz FXCZBYQECXTLMJ-NDEPHWFRSA-N 1 1 470.592 4.630 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036346019 569768874 /nfs/dbraw/zinc/76/88/74/569768874.db2.gz FTRUNUPCTOOGBS-QFIPXVFZSA-N 1 1 453.558 4.862 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036346019 569768876 /nfs/dbraw/zinc/76/88/76/569768876.db2.gz FTRUNUPCTOOGBS-QFIPXVFZSA-N 1 1 453.558 4.862 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346237 569769194 /nfs/dbraw/zinc/76/91/94/569769194.db2.gz GPRGZWPODRIBEO-HSZRJFAPSA-N 1 1 455.574 4.968 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346210 569769213 /nfs/dbraw/zinc/76/92/13/569769213.db2.gz RNSDBVZTVJTLIY-AHWVRZQESA-N 1 1 479.621 4.660 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346210 569769214 /nfs/dbraw/zinc/76/92/14/569769214.db2.gz RNSDBVZTVJTLIY-AHWVRZQESA-N 1 1 479.621 4.660 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036447623 569776093 /nfs/dbraw/zinc/77/60/93/569776093.db2.gz ZHHVOGJJXRUJMB-BEFAXECRSA-N 1 1 450.457 4.911 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036447623 569776094 /nfs/dbraw/zinc/77/60/94/569776094.db2.gz ZHHVOGJJXRUJMB-BEFAXECRSA-N 1 1 450.457 4.911 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2cccs2)C1 ZINC000037443821 569791174 /nfs/dbraw/zinc/79/11/74/569791174.db2.gz VFOOVPBBHGNPRT-GTNJKRJXSA-N 1 1 492.689 4.602 50 0 JJAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546503 569803282 /nfs/dbraw/zinc/80/32/82/569803282.db2.gz XGIALJUTCLCRJT-HSZRJFAPSA-N 1 1 453.583 4.948 50 0 JJAAMO Cc1ccc(-n2cnnc2SCC(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1C ZINC000040090758 569816112 /nfs/dbraw/zinc/81/61/12/569816112.db2.gz XULLMGUWKCKDPW-JOCHJYFZSA-N 1 1 470.042 4.583 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000102737639 569818886 /nfs/dbraw/zinc/81/88/86/569818886.db2.gz OTSSZYWKUPHQGU-XCRWMPKNSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000102737639 569818888 /nfs/dbraw/zinc/81/88/88/569818888.db2.gz OTSSZYWKUPHQGU-XCRWMPKNSA-N 1 1 452.595 4.627 50 0 JJAAMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000040149610 569819249 /nfs/dbraw/zinc/81/92/49/569819249.db2.gz RDPXCORHLORKPJ-INIZCTEOSA-N 1 1 473.415 4.645 50 0 JJAAMO CC[C@H](C(=O)N1CC[NH+](CC)CC1)N(c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1OC ZINC000040388792 569824703 /nfs/dbraw/zinc/82/47/03/569824703.db2.gz WEBDCVFYVPMMLS-HSZRJFAPSA-N 1 1 494.661 4.908 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581784 569836414 /nfs/dbraw/zinc/83/64/14/569836414.db2.gz JAPLKVOECNCFET-GYCJOSAFSA-N 1 1 491.419 4.571 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983604 569848153 /nfs/dbraw/zinc/84/81/53/569848153.db2.gz OBJCWMGQDYCHLO-WOJBJXKFSA-N 1 1 479.404 4.693 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983881 569848331 /nfs/dbraw/zinc/84/83/31/569848331.db2.gz LOOJVVAKQXTBNJ-ILBGXUMGSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983881 569848332 /nfs/dbraw/zinc/84/83/32/569848332.db2.gz LOOJVVAKQXTBNJ-ILBGXUMGSA-N 1 1 468.956 4.914 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984502 569848459 /nfs/dbraw/zinc/84/84/59/569848459.db2.gz QHKWLNBGJNTFPS-FGZHOGPDSA-N 1 1 468.491 4.626 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983891 569848520 /nfs/dbraw/zinc/84/85/20/569848520.db2.gz XHCHISBQRNPHCJ-ISKFKSNPSA-N 1 1 472.944 4.645 50 0 JJAAMO Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000049574742 569848851 /nfs/dbraw/zinc/84/88/51/569848851.db2.gz HWHVVLFTRQERMQ-UHFFFAOYSA-N 1 1 477.605 4.789 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000105001981 569849044 /nfs/dbraw/zinc/84/90/44/569849044.db2.gz QHUDANASTXZVHR-NOZRDPDXSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000105001981 569849045 /nfs/dbraw/zinc/84/90/45/569849045.db2.gz QHUDANASTXZVHR-NOZRDPDXSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007778 569850063 /nfs/dbraw/zinc/85/00/63/569850063.db2.gz ZHQUDQWQQBXNHP-SQJMNOBHSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007778 569850065 /nfs/dbraw/zinc/85/00/65/569850065.db2.gz ZHQUDQWQQBXNHP-SQJMNOBHSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2Cl)C1 ZINC000105008185 569850136 /nfs/dbraw/zinc/85/01/36/569850136.db2.gz ZVDYYTZAQRTFDU-GAJHUEQPSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2Cl)C1 ZINC000105008185 569850137 /nfs/dbraw/zinc/85/01/37/569850137.db2.gz ZVDYYTZAQRTFDU-GAJHUEQPSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105009690 569850576 /nfs/dbraw/zinc/85/05/76/569850576.db2.gz JALBQOLKFRZUGD-CJFMBICVSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105009690 569850577 /nfs/dbraw/zinc/85/05/77/569850577.db2.gz JALBQOLKFRZUGD-CJFMBICVSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011054 569850928 /nfs/dbraw/zinc/85/09/28/569850928.db2.gz GUMPNIVBCZYPPB-JYFHCDHNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011054 569850929 /nfs/dbraw/zinc/85/09/29/569850929.db2.gz GUMPNIVBCZYPPB-JYFHCDHNSA-N 1 1 461.606 4.565 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000105060165 569852650 /nfs/dbraw/zinc/85/26/50/569852650.db2.gz FCKDKTSDIJJAAV-IDISGSTGSA-N 1 1 479.690 4.644 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000105060165 569852651 /nfs/dbraw/zinc/85/26/51/569852651.db2.gz FCKDKTSDIJJAAV-IDISGSTGSA-N 1 1 479.690 4.644 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@@H](C)C1 ZINC000105060176 569852672 /nfs/dbraw/zinc/85/26/72/569852672.db2.gz HNNLRGIBVCIPSQ-DCFHFQCYSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@@H](C)C1 ZINC000105060176 569852673 /nfs/dbraw/zinc/85/26/73/569852673.db2.gz HNNLRGIBVCIPSQ-DCFHFQCYSA-N 1 1 491.632 4.516 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000108521997 569859519 /nfs/dbraw/zinc/85/95/19/569859519.db2.gz SJKMJYHPFIFAPZ-WBADGQHESA-N 1 1 478.976 4.788 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000108521997 569859520 /nfs/dbraw/zinc/85/95/20/569859520.db2.gz SJKMJYHPFIFAPZ-WBADGQHESA-N 1 1 478.976 4.788 50 0 JJAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677269 569868621 /nfs/dbraw/zinc/86/86/21/569868621.db2.gz VSMLTCWYMIJBLE-NOZRDPDXSA-N 1 1 489.582 4.610 50 0 JJAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677580 569868747 /nfs/dbraw/zinc/86/87/47/569868747.db2.gz VJSJAAOSEDNDGH-UPVQGACJSA-N 1 1 477.546 4.870 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677622 569868762 /nfs/dbraw/zinc/86/87/62/569868762.db2.gz RKFUDVIFDIWMRZ-BVAGGSTKSA-N 1 1 480.992 4.784 50 0 JJAAMO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)cc1 ZINC000169679074 569869462 /nfs/dbraw/zinc/86/94/62/569869462.db2.gz QDCRGHAUGJHLJS-VWNXMTODSA-N 1 1 473.539 4.958 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000169679663 569869811 /nfs/dbraw/zinc/86/98/11/569869811.db2.gz JZGMICWSAZNANE-IFMALSPDSA-N 1 1 461.002 4.520 50 0 JJAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@@H](O)COCc1ccco1 ZINC000169679469 569869791 /nfs/dbraw/zinc/86/97/91/569869791.db2.gz SEOVLNBHXLYQKU-IFMALSPDSA-N 1 1 455.599 4.957 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3ccccc3Cl)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000169679663 569869810 /nfs/dbraw/zinc/86/98/10/569869810.db2.gz JZGMICWSAZNANE-IFMALSPDSA-N 1 1 461.002 4.520 50 0 JJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000169679840 569869899 /nfs/dbraw/zinc/86/98/99/569869899.db2.gz YKNPNLHFPDOZCI-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000169679840 569869900 /nfs/dbraw/zinc/86/99/00/569869900.db2.gz YKNPNLHFPDOZCI-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000169680020 569870134 /nfs/dbraw/zinc/87/01/34/569870134.db2.gz LDCWNCBLYGBSAA-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@@H]2C)cc1 ZINC000169680020 569870135 /nfs/dbraw/zinc/87/01/35/569870135.db2.gz LDCWNCBLYGBSAA-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000229603324 570040620 /nfs/dbraw/zinc/04/06/20/570040620.db2.gz XCJBUTYEPXPYJJ-WOZUAGRISA-N 1 1 452.913 4.610 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000229603324 570040621 /nfs/dbraw/zinc/04/06/21/570040621.db2.gz XCJBUTYEPXPYJJ-WOZUAGRISA-N 1 1 452.913 4.610 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129860 570045460 /nfs/dbraw/zinc/04/54/60/570045460.db2.gz ZUOSWMRSYAMCFH-VPUSJEBWSA-N 1 1 494.010 4.667 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245257982 570060796 /nfs/dbraw/zinc/06/07/96/570060796.db2.gz JFHDDFHUZBUMGE-RBTNQOKQSA-N 1 1 480.653 4.676 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(Br)c1 ZINC000245310991 570063385 /nfs/dbraw/zinc/06/33/85/570063385.db2.gz KYEUWQRVZZOKSC-LNRXMEIDSA-N 1 1 493.401 4.888 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(Br)c1 ZINC000245310991 570063386 /nfs/dbraw/zinc/06/33/86/570063386.db2.gz KYEUWQRVZZOKSC-LNRXMEIDSA-N 1 1 493.401 4.888 50 0 JJAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327463 570065316 /nfs/dbraw/zinc/06/53/16/570065316.db2.gz JJSZOWJOKYPELU-VWNXMTODSA-N 1 1 454.586 4.911 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245327939 570065467 /nfs/dbraw/zinc/06/54/67/570065467.db2.gz LVRUYPCHKGVIFI-AOYPEHQESA-N 1 1 493.648 4.994 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245327939 570065468 /nfs/dbraw/zinc/06/54/68/570065468.db2.gz LVRUYPCHKGVIFI-AOYPEHQESA-N 1 1 493.648 4.994 50 0 JJAAMO O=C(C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247747049 570069096 /nfs/dbraw/zinc/06/90/96/570069096.db2.gz SAYMTBLKFDWUPX-RPLLCQBOSA-N 1 1 490.669 4.569 50 0 JJAAMO O=C(C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247747051 570069205 /nfs/dbraw/zinc/06/92/05/570069205.db2.gz SAYMTBLKFDWUPX-SHQCIBLASA-N 1 1 490.669 4.569 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NC4CCCCC4)CC3)nc3ccccc32)cc1 ZINC000247885291 570070566 /nfs/dbraw/zinc/07/05/66/570070566.db2.gz KNAOQZGXWNFEME-UHFFFAOYSA-N 1 1 460.622 4.754 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000247887721 570070655 /nfs/dbraw/zinc/07/06/55/570070655.db2.gz DZAAESPYYUEWME-FZTAYZORSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000247887721 570070656 /nfs/dbraw/zinc/07/06/56/570070656.db2.gz DZAAESPYYUEWME-FZTAYZORSA-N 1 1 497.982 4.663 50 0 JJAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247890859 570070744 /nfs/dbraw/zinc/07/07/44/570070744.db2.gz MRSFXIQAOJALFY-JOCHJYFZSA-N 1 1 454.574 4.944 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247890859 570070745 /nfs/dbraw/zinc/07/07/45/570070745.db2.gz MRSFXIQAOJALFY-JOCHJYFZSA-N 1 1 454.574 4.944 50 0 JJAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)cc1 ZINC000247910032 570070952 /nfs/dbraw/zinc/07/09/52/570070952.db2.gz UEJPOJZNVUVWIU-DEOSSOPVSA-N 1 1 498.627 4.630 50 0 JJAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)cc1C ZINC000247968976 570071868 /nfs/dbraw/zinc/07/18/68/570071868.db2.gz CNKJWSLACVQGCC-UHFFFAOYSA-N 1 1 473.665 4.795 50 0 JJAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)c(C)c1 ZINC000247982303 570072093 /nfs/dbraw/zinc/07/20/93/570072093.db2.gz HJLZGARJLQBQRK-UHFFFAOYSA-N 1 1 473.665 4.795 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000247982402 570072124 /nfs/dbraw/zinc/07/21/24/570072124.db2.gz HPRSZIFTPHIXBI-UHFFFAOYSA-N 1 1 480.056 4.831 50 0 JJAAMO CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000247992978 570072240 /nfs/dbraw/zinc/07/22/40/570072240.db2.gz LIFAAPZSWYHDRU-FQEVSTJZSA-N 1 1 498.046 4.971 50 0 JJAAMO CC(C)N(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248006213 570072732 /nfs/dbraw/zinc/07/27/32/570072732.db2.gz ONQFMPHSHTZBFX-UHFFFAOYSA-N 1 1 469.427 4.867 50 0 JJAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248033199 570073039 /nfs/dbraw/zinc/07/30/39/570073039.db2.gz YFIQNTVWYPJEKX-XMMPIXPASA-N 1 1 473.665 4.795 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000248081983 570073558 /nfs/dbraw/zinc/07/35/58/570073558.db2.gz JAHIGQHMHKOWAF-SANMLTNESA-N 1 1 496.655 4.973 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4cccc(C)c4)CC3)nc3ccccc32)cc1 ZINC000248089273 570073746 /nfs/dbraw/zinc/07/37/46/570073746.db2.gz LDCIXWMDFNJULZ-UHFFFAOYSA-N 1 1 496.655 4.973 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000248161788 570075763 /nfs/dbraw/zinc/07/57/63/570075763.db2.gz XVLNEXVONDMJHI-KCWPFWIISA-N 1 1 456.590 4.600 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000248161788 570075765 /nfs/dbraw/zinc/07/57/65/570075765.db2.gz XVLNEXVONDMJHI-KCWPFWIISA-N 1 1 456.590 4.600 50 0 JJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253388951 570095616 /nfs/dbraw/zinc/09/56/16/570095616.db2.gz BFLAZJCCTCDWQU-JIPXPUAJSA-N 1 1 488.657 4.769 50 0 JJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253388951 570095617 /nfs/dbraw/zinc/09/56/17/570095617.db2.gz BFLAZJCCTCDWQU-JIPXPUAJSA-N 1 1 488.657 4.769 50 0 JJAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccccc4C(C)C)CC3)C2)nc2ccccc21 ZINC000253607486 570104335 /nfs/dbraw/zinc/10/43/35/570104335.db2.gz VCEOWCRVODJWQQ-HSZRJFAPSA-N 1 1 473.665 4.740 50 0 JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000263586357 570171787 /nfs/dbraw/zinc/17/17/87/570171787.db2.gz SWUSAVNHNHUGGN-YGPDHOBYSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000263586357 570171788 /nfs/dbraw/zinc/17/17/88/570171788.db2.gz SWUSAVNHNHUGGN-YGPDHOBYSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1cccc(NC(=O)CC[C@H]2C[N@@H+](CC(C)C)CC[C@H]2N2CCN(c3ccccc3F)CC2)c1 ZINC000299767292 570175336 /nfs/dbraw/zinc/17/53/36/570175336.db2.gz QNWFABNBLOZBIB-WNCULLNHSA-N 1 1 496.671 4.722 50 0 JJAAMO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]C[C@H]3CCCN(CCc4ccccc4)C3)CC2)cc1 ZINC000299777273 570176150 /nfs/dbraw/zinc/17/61/50/570176150.db2.gz OHQKMQNWXZHQFY-AREMUKBSSA-N 1 1 488.720 4.872 50 0 JJAAMO Cc1cccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)c1 ZINC000299784840 570176641 /nfs/dbraw/zinc/17/66/41/570176641.db2.gz ISLAQSRZCBMPEB-WIOPSUGQSA-N 1 1 456.030 4.590 50 0 JJAAMO Cc1cccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2[NH+]2CCOCC2)c1 ZINC000299784840 570176642 /nfs/dbraw/zinc/17/66/42/570176642.db2.gz ISLAQSRZCBMPEB-WIOPSUGQSA-N 1 1 456.030 4.590 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC(n3c4ccccc4[nH]c3=O)CC2)n1 ZINC000058378056 719128720 /nfs/dbraw/zinc/12/87/20/719128720.db2.gz BJWYMVQUVPCUOR-UHFFFAOYSA-N 1 1 464.639 4.634 50 0 JJAAMO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000001448838 194123081 /nfs/dbraw/zinc/12/30/81/194123081.db2.gz YRLRKOSBTQXEFW-HSZRJFAPSA-N 1 1 453.608 4.946 50 0 JJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002231576 194158617 /nfs/dbraw/zinc/15/86/17/194158617.db2.gz DXENYMPKELFRNA-KAYWLYCHSA-N 1 1 482.540 4.825 50 0 JJAAMO Cc1nnc(Sc2cc(C(=O)NCCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)s1 ZINC000003027403 194211669 /nfs/dbraw/zinc/21/16/69/194211669.db2.gz YMRQJQQOGHFIDE-UHFFFAOYSA-N 1 1 463.632 4.798 50 0 JJAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000003062578 194222652 /nfs/dbraw/zinc/22/26/52/194222652.db2.gz AOMDAYTYSQNYHN-ONUIUJJFSA-N 1 1 487.600 4.893 50 0 JJAAMO O=C(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCN(c2ccccc2)CC1)OCCO3 ZINC000009969420 195042507 /nfs/dbraw/zinc/04/25/07/195042507.db2.gz FTNAJHNFFNRXGJ-UHFFFAOYSA-N 1 1 451.526 4.564 50 0 JJAAMO CSc1ncc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)n1-c1ccccc1 ZINC000012628320 195060794 /nfs/dbraw/zinc/06/07/94/195060794.db2.gz COFRMGLFTZAPGB-UHFFFAOYSA-N 1 1 463.994 4.758 50 0 JJAAMO O=C(CSc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCCC1 ZINC000012767018 195114593 /nfs/dbraw/zinc/11/45/93/195114593.db2.gz YVGWMSAYRFGQMO-UHFFFAOYSA-N 1 1 499.680 4.949 50 0 JJAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000012780077 195123801 /nfs/dbraw/zinc/12/38/01/195123801.db2.gz KUYJNDFJJGMLLY-DEOSSOPVSA-N 1 1 470.573 4.589 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)c1 ZINC000012784303 195126557 /nfs/dbraw/zinc/12/65/57/195126557.db2.gz ZWVDUBMRZGWEAH-HOTGVXAUSA-N 1 1 499.102 4.557 50 0 JJAAMO COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1OC ZINC000012792921 195133547 /nfs/dbraw/zinc/13/35/47/195133547.db2.gz GVOGPOAZJLCJIA-UHFFFAOYSA-N 1 1 474.026 4.805 50 0 JJAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012855228 195156962 /nfs/dbraw/zinc/15/69/62/195156962.db2.gz IYSIERDYBXSYIS-JOCHJYFZSA-N 1 1 488.009 4.691 50 0 JJAAMO CC(C)c1ccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)cc3c4ccccc4[nH]c32)cc1 ZINC000020610140 195183357 /nfs/dbraw/zinc/18/33/57/195183357.db2.gz KGYQYBBRMWGHOW-UHFFFAOYSA-N 1 1 456.590 4.959 50 0 biogenic JJAAMO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000020617525 195189246 /nfs/dbraw/zinc/18/92/46/195189246.db2.gz FGACAPUBIWEJLO-UHFFFAOYSA-N 1 1 455.558 4.982 50 0 JJAAMO COc1cc(C)cc2oc(=O)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c12 ZINC000020648799 195195625 /nfs/dbraw/zinc/19/56/25/195195625.db2.gz FYKASIPUJNMHNE-UHFFFAOYSA-N 1 1 496.607 4.895 50 0 JJAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NC3CCCCCCC3)CC23CCCCC3)cc1 ZINC000020688014 195205464 /nfs/dbraw/zinc/20/54/64/195205464.db2.gz UIOLFMLOPQHRCX-UHFFFAOYSA-N 1 1 484.754 4.919 50 0 JJAAMO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CO4)cc1 ZINC000020762875 195218779 /nfs/dbraw/zinc/21/87/79/195218779.db2.gz DUNRUTJASQTNJK-SQJMNOBHSA-N 1 1 460.574 4.885 50 0 biogenic JJAAMO C[N@@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000020902842 195242033 /nfs/dbraw/zinc/24/20/33/195242033.db2.gz PKOJSLXHXFNGRH-SSEXGKCCSA-N 1 1 486.660 4.827 50 0 JJAAMO Cn1cnnc1[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000020906418 195245299 /nfs/dbraw/zinc/24/52/99/195245299.db2.gz QOLHAUPJNMDBOZ-KRWDZBQOSA-N 1 1 450.949 4.840 50 0 JJAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1)Cc1cccs1 ZINC000020919621 195247155 /nfs/dbraw/zinc/24/71/55/195247155.db2.gz XBLMAVRBTWSZMV-KRWDZBQOSA-N 1 1 473.664 4.712 50 0 JJAAMO CCCC[N@@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000020925787 195248977 /nfs/dbraw/zinc/24/89/77/195248977.db2.gz LQMNBWPNCOQIMT-UHFFFAOYSA-N 1 1 453.558 4.806 50 0 JJAAMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc(Oc4ccccc4)o2)CCO3)C[C@H](C)O1 ZINC000020999346 195265319 /nfs/dbraw/zinc/26/53/19/195265319.db2.gz AZZVYXMJDOYXSY-BGYRXZFFSA-N 1 1 462.546 4.716 50 0 JJAAMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc(Oc4ccccc4)o2)CCO3)C[C@H](C)O1 ZINC000020999346 195265321 /nfs/dbraw/zinc/26/53/21/195265321.db2.gz AZZVYXMJDOYXSY-BGYRXZFFSA-N 1 1 462.546 4.716 50 0 JJAAMO COc1ccc(-c2cc3nc(C)cc(N4CC[NH+](C/C=C/c5ccccc5)CC4)n3n2)cc1OC ZINC000021150262 195282198 /nfs/dbraw/zinc/28/21/98/195282198.db2.gz SZMMDFUANVFOLM-JXMROGBWSA-N 1 1 469.589 4.557 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021364677 195299882 /nfs/dbraw/zinc/29/98/82/195299882.db2.gz PGDOBGSTLBMSLB-HHHXNRCGSA-N 1 1 468.642 4.534 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526712 195305062 /nfs/dbraw/zinc/30/50/62/195305062.db2.gz LDQYQRSSPKCHRS-MUUNZHRXSA-N 1 1 482.669 4.942 50 0 JJAAMO C[N@@H+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526727 195305512 /nfs/dbraw/zinc/30/55/12/195305512.db2.gz OHXFAQDBVLANHY-HHHXNRCGSA-N 1 1 468.642 4.552 50 0 JJAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794855 195322004 /nfs/dbraw/zinc/32/20/04/195322004.db2.gz IJXFDGZGWPZWAI-UHFFFAOYSA-N 1 1 451.596 4.937 50 0 JJAAMO COc1ccc(Nc2nc(NCCC[N@@H+](Cc3ccccc3)C(C)C)nc3c2cnn3C)cc1 ZINC000021928743 195335001 /nfs/dbraw/zinc/33/50/01/195335001.db2.gz WUKXUCVZRYDEHW-UHFFFAOYSA-N 1 1 459.598 4.828 50 0 JJAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000021934460 195335769 /nfs/dbraw/zinc/33/57/69/195335769.db2.gz JARXMFQHTPVFRD-UHFFFAOYSA-N 1 1 486.019 4.811 50 0 JJAAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000058010304 195362280 /nfs/dbraw/zinc/36/22/80/195362280.db2.gz CTCGKTKYAMYFHP-UHFFFAOYSA-N 1 1 451.489 4.518 50 0 JJAAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000058010304 195362281 /nfs/dbraw/zinc/36/22/81/195362281.db2.gz CTCGKTKYAMYFHP-UHFFFAOYSA-N 1 1 451.489 4.518 50 0 JJAAMO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000058280465 195375877 /nfs/dbraw/zinc/37/58/77/195375877.db2.gz OPOVXDHKYBKFHI-UHFFFAOYSA-N 1 1 455.002 4.859 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000095550677 129911906 /nfs/dbraw/zinc/91/19/06/129911906.db2.gz KPJRPJMWKXDUCQ-UHFFFAOYSA-N 1 1 458.606 4.514 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581787 130646807 /nfs/dbraw/zinc/64/68/07/130646807.db2.gz JAPLKVOECNCFET-FYSMJZIKSA-N 1 1 491.419 4.571 50 0 JJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccco1 ZINC000036149182 519717681 /nfs/dbraw/zinc/71/76/81/519717681.db2.gz UFFDCPSPFKPSSE-JOCHJYFZSA-N 1 1 453.583 4.571 50 0 JJAAMO CC(C)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036205409 519718676 /nfs/dbraw/zinc/71/86/76/519718676.db2.gz NZWIIVPORCMWML-INIZCTEOSA-N 1 1 464.031 4.549 50 0 JJAAMO CC(C)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@H](O)COC(C)C ZINC000036205409 519718677 /nfs/dbraw/zinc/71/86/77/519718677.db2.gz NZWIIVPORCMWML-INIZCTEOSA-N 1 1 464.031 4.549 50 0 JJAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307085 519773857 /nfs/dbraw/zinc/77/38/57/519773857.db2.gz VMTAMEVBMHPTFF-JOCHJYFZSA-N 1 1 453.558 4.769 50 0 JJAAMO CC(C)c1ccc(C[N@@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)N(C)Cc2ccon2)cc1 ZINC000012246738 519836024 /nfs/dbraw/zinc/83/60/24/519836024.db2.gz NOGKIDQFVFZOMU-PKTZIBPZSA-N 1 1 450.608 4.587 50 0 JJAAMO CC(C)c1ccc(C[N@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)N(C)Cc2ccon2)cc1 ZINC000012246738 519836025 /nfs/dbraw/zinc/83/60/25/519836025.db2.gz NOGKIDQFVFZOMU-PKTZIBPZSA-N 1 1 450.608 4.587 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146087 519881205 /nfs/dbraw/zinc/88/12/05/519881205.db2.gz OBJCWMGQDYCHLO-UXHICEINSA-N 1 1 479.404 4.693 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305405 520096306 /nfs/dbraw/zinc/09/63/06/520096306.db2.gz ZXKMHTFZXLPKCB-QFIPXVFZSA-N 1 1 491.588 4.881 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305405 520096314 /nfs/dbraw/zinc/09/63/14/520096314.db2.gz ZXKMHTFZXLPKCB-QFIPXVFZSA-N 1 1 491.588 4.881 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036304289 520154368 /nfs/dbraw/zinc/15/43/68/520154368.db2.gz FGXWTJJYGOUOOT-JOCHJYFZSA-N 1 1 471.548 4.861 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080278 520510984 /nfs/dbraw/zinc/51/09/84/520510984.db2.gz HMIFGEBAMWSFOP-NVQXNPDNSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080278 520510991 /nfs/dbraw/zinc/51/09/91/520510991.db2.gz HMIFGEBAMWSFOP-NVQXNPDNSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080278 520511004 /nfs/dbraw/zinc/51/10/04/520511004.db2.gz HMIFGEBAMWSFOP-NVQXNPDNSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000036080278 520511009 /nfs/dbraw/zinc/51/10/09/520511009.db2.gz HMIFGEBAMWSFOP-NVQXNPDNSA-N 1 1 477.605 4.525 50 0 JJAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000035457044 521540578 /nfs/dbraw/zinc/54/05/78/521540578.db2.gz IJOOYEPRXYKPNR-UHFFFAOYSA-N 1 1 458.606 4.516 50 0 JJAAMO CCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C(C)C)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035457044 521540585 /nfs/dbraw/zinc/54/05/85/521540585.db2.gz IJOOYEPRXYKPNR-UHFFFAOYSA-N 1 1 458.606 4.516 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000065008771 521658682 /nfs/dbraw/zinc/65/86/82/521658682.db2.gz GXPKVPPDKBQFJI-SFHVURJKSA-N 1 1 479.071 4.540 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036305872 521678471 /nfs/dbraw/zinc/67/84/71/521678471.db2.gz QRBZJDYISNHMDO-QFIPXVFZSA-N 1 1 467.610 4.886 50 0 JJAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000036303571 522401056 /nfs/dbraw/zinc/40/10/56/522401056.db2.gz GAHRJGDKGFFICR-FCHUYYIVSA-N 1 1 486.012 4.615 50 0 JJAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000036303571 522401066 /nfs/dbraw/zinc/40/10/66/522401066.db2.gz GAHRJGDKGFFICR-FCHUYYIVSA-N 1 1 486.012 4.615 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CCOC)C[C@@H](O)CC ZINC000036302679 522640263 /nfs/dbraw/zinc/64/02/63/522640263.db2.gz UNEXLLNKOORNIT-FQEVSTJZSA-N 1 1 459.537 4.725 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CCOC)C[C@@H](O)CC ZINC000036302679 522640276 /nfs/dbraw/zinc/64/02/76/522640276.db2.gz UNEXLLNKOORNIT-FQEVSTJZSA-N 1 1 459.537 4.725 50 0 JJAAMO CC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310122 522807706 /nfs/dbraw/zinc/80/77/06/522807706.db2.gz YLXDLMZVCJHGDX-UPVQGACJSA-N 1 1 472.695 4.989 50 0 JJAAMO COc1cc([C@H](C)[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)ccc1OCCO ZINC000048275585 522945163 /nfs/dbraw/zinc/94/51/63/522945163.db2.gz JJEMBIAGWNLITD-HNNXBMFYSA-N 1 1 464.393 4.777 50 0 JJAAMO COc1cc2c(c(OCc3ccccc3)c1OC)CC[N@@H+](C)[C@H]2Cc1ccc(OC(C)=O)cc1 ZINC000004566004 522992697 /nfs/dbraw/zinc/99/26/97/522992697.db2.gz OETZPYPBIYXPFK-VWLOTQADSA-N 1 1 461.558 4.980 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168860 523170773 /nfs/dbraw/zinc/17/07/73/523170773.db2.gz YNUDKDOMOIZYGL-FGZHOGPDSA-N 1 1 467.683 4.615 50 0 JJAAMO CN(Cc1ccccc1)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036250638 523338008 /nfs/dbraw/zinc/33/80/08/523338008.db2.gz FFBIQZCHLTWQBH-MHZLTWQESA-N 1 1 475.677 4.959 50 0 JJAAMO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([N@@H+](C)Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014744122 523345035 /nfs/dbraw/zinc/34/50/35/523345035.db2.gz BCGNMVLVASCJLL-JOCHJYFZSA-N 1 1 485.657 4.805 50 0 JJAAMO C[N@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc23)ccc1OCC(=O)NCCCO ZINC000014879307 523476031 /nfs/dbraw/zinc/47/60/31/523476031.db2.gz ORLBRHNWPWJWPC-UHFFFAOYSA-N 1 1 464.587 4.671 50 0 JJAAMO C[N@@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc23)ccc1OCC(=O)NCCCO ZINC000014879307 523476037 /nfs/dbraw/zinc/47/60/37/523476037.db2.gz ORLBRHNWPWJWPC-UHFFFAOYSA-N 1 1 464.587 4.671 50 0 JJAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([N@@H+](C)Cc1nc(-c3ccccc3)cs1)C2 ZINC000014749786 523547072 /nfs/dbraw/zinc/54/70/72/523547072.db2.gz MJLZXXHPAWRIOD-QHCPKHFHSA-N 1 1 497.668 4.731 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccco3)C2)cc1 ZINC000036146649 523880066 /nfs/dbraw/zinc/88/00/66/523880066.db2.gz DGCCVKRRKORTGX-WIOPSUGQSA-N 1 1 484.980 4.515 50 0 JJAAMO CCc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456508 523976839 /nfs/dbraw/zinc/97/68/39/523976839.db2.gz ANBBKQWXZAUTBY-UHFFFAOYSA-N 1 1 496.586 4.809 50 0 JJAAMO CCc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456508 523976842 /nfs/dbraw/zinc/97/68/42/523976842.db2.gz ANBBKQWXZAUTBY-UHFFFAOYSA-N 1 1 496.586 4.809 50 0 JJAAMO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002296183 524023050 /nfs/dbraw/zinc/02/30/50/524023050.db2.gz WVUGJOSVKPNHDI-UHFFFAOYSA-N 1 1 484.394 4.610 50 0 JJAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NC2CCCC2)C1 ZINC000012279368 524228820 /nfs/dbraw/zinc/22/88/20/524228820.db2.gz FZDXBKOBMXIKQM-LJQANCHMSA-N 1 1 450.579 4.752 50 0 JJAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccco2)C1 ZINC000014994529 524230871 /nfs/dbraw/zinc/23/08/71/524230871.db2.gz CQIGFPWGNLYHHF-HXUWFJFHSA-N 1 1 476.573 4.945 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nc3cccnc32)CC1 ZINC000033139763 524233264 /nfs/dbraw/zinc/23/32/64/524233264.db2.gz CXFSMJAQCQBQNI-UHFFFAOYSA-N 1 1 490.995 4.610 50 0 JJAAMO Cc1cccc(C)c1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456514 524284490 /nfs/dbraw/zinc/28/44/90/524284490.db2.gz RLIRHRFHGUXECS-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1cccc(C)c1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456514 524284497 /nfs/dbraw/zinc/28/44/97/524284497.db2.gz RLIRHRFHGUXECS-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO COc1ccccc1/C=C/C[NH+]1CCN(c2cccc3c2C(=O)N(CCc2ccccc2F)C3=O)CC1 ZINC000014997037 524318382 /nfs/dbraw/zinc/31/83/82/524318382.db2.gz YBGRMFJISOAJHR-JXMROGBWSA-N 1 1 499.586 4.508 50 0 JJAAMO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000021880360 524347641 /nfs/dbraw/zinc/34/76/41/524347641.db2.gz GKYBJMYHANPYCX-GOSISDBHSA-N 1 1 481.666 4.694 50 0 JJAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[NH+]1CCN(Cc3ccccc3)CC1)c2-n1cccc1 ZINC000020465947 524349638 /nfs/dbraw/zinc/34/96/38/524349638.db2.gz YLBMPPZNEBRJDE-UHFFFAOYSA-N 1 1 487.673 4.642 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)s1 ZINC000014961738 524475387 /nfs/dbraw/zinc/47/53/87/524475387.db2.gz OEMKBTBXNFBMBF-QHCPKHFHSA-N 1 1 465.667 4.840 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNc3ncnc4onc(-c5ccc(F)cc5)c43)C[C@@H]2C)c1 ZINC000008595295 524556266 /nfs/dbraw/zinc/55/62/66/524556266.db2.gz JBWBKFUPVIDELA-IBGZPJMESA-N 1 1 460.557 4.745 50 0 JJAAMO Cc1cccc(NC(=O)CN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1C ZINC000022800863 524593602 /nfs/dbraw/zinc/59/36/02/524593602.db2.gz DQZFKDHBJUSAIX-UHFFFAOYSA-N 1 1 457.618 4.666 50 0 JJAAMO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000014954741 524601724 /nfs/dbraw/zinc/60/17/24/524601724.db2.gz PYDFRZHNLICBFX-UIOOFZCWSA-N 1 1 490.673 4.932 50 0 JJAAMO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@H+](Cc3ccc(OCc4ccccc4)cc3)C2)n1 ZINC000014954741 524601732 /nfs/dbraw/zinc/60/17/32/524601732.db2.gz PYDFRZHNLICBFX-UIOOFZCWSA-N 1 1 490.673 4.932 50 0 JJAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)CC1 ZINC000033267234 524734135 /nfs/dbraw/zinc/73/41/35/524734135.db2.gz HFWZXCLSUDKZBM-UHFFFAOYSA-N 1 1 486.019 4.811 50 0 JJAAMO Cc1cccc2c1-c1sc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc1CO2 ZINC000008604538 524938998 /nfs/dbraw/zinc/93/89/98/524938998.db2.gz OQAIKOGEJVDBBJ-UHFFFAOYSA-N 1 1 465.594 4.697 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304609 524989259 /nfs/dbraw/zinc/98/92/59/524989259.db2.gz XENPGDFKKDCFEM-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)cc1C ZINC000035456489 525100352 /nfs/dbraw/zinc/10/03/52/525100352.db2.gz TVQMXSNBOKAXAT-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1C ZINC000035456489 525100358 /nfs/dbraw/zinc/10/03/58/525100358.db2.gz TVQMXSNBOKAXAT-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456333 525100596 /nfs/dbraw/zinc/10/05/96/525100596.db2.gz NOKMHXQWNHVPRM-UHFFFAOYSA-N 1 1 478.596 4.724 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(C)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456333 525100603 /nfs/dbraw/zinc/10/06/03/525100603.db2.gz NOKMHXQWNHVPRM-UHFFFAOYSA-N 1 1 478.596 4.724 50 0 JJAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@H](O)COc3ccccc3)n2)cc1Cl ZINC000036147830 525877620 /nfs/dbraw/zinc/87/76/20/525877620.db2.gz KLZZREUGUUWZRO-FQEVSTJZSA-N 1 1 467.953 4.776 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146704 525922872 /nfs/dbraw/zinc/92/28/72/525922872.db2.gz RKFUDVIFDIWMRZ-OZXSUGGESA-N 1 1 480.992 4.784 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146343 525925324 /nfs/dbraw/zinc/92/53/24/525925324.db2.gz CAZSQENHHXTWGH-GMAHTHKFSA-N 1 1 461.002 4.520 50 0 JJAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000006146775 526213869 /nfs/dbraw/zinc/21/38/69/526213869.db2.gz XBDLIAMFDAPGOF-RCZVLFRGSA-N 1 1 493.604 4.691 50 0 JJAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000006146775 526213874 /nfs/dbraw/zinc/21/38/74/526213874.db2.gz XBDLIAMFDAPGOF-RCZVLFRGSA-N 1 1 493.604 4.691 50 0 JJAAMO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303844 526241204 /nfs/dbraw/zinc/24/12/04/526241204.db2.gz LAUACMVSQZGQAS-QHCPKHFHSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303844 526241211 /nfs/dbraw/zinc/24/12/11/526241211.db2.gz LAUACMVSQZGQAS-QHCPKHFHSA-N 1 1 465.594 4.732 50 0 JJAAMO Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2ccc(C[N@@H+](C)Cc3cccs3)cc2)n(C)n1 ZINC000012279804 526243574 /nfs/dbraw/zinc/24/35/74/526243574.db2.gz XJFWXESSSVNBTJ-JOCHJYFZSA-N 1 1 466.651 4.886 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146691 526284987 /nfs/dbraw/zinc/28/49/87/526284987.db2.gz XHCHISBQRNPHCJ-UPVQGACJSA-N 1 1 472.944 4.645 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147151 526290604 /nfs/dbraw/zinc/29/06/04/526290604.db2.gz SUJDVRIPYIHORA-ZCYQVOJMSA-N 1 1 450.966 4.775 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147151 526290615 /nfs/dbraw/zinc/29/06/15/526290615.db2.gz SUJDVRIPYIHORA-ZCYQVOJMSA-N 1 1 450.966 4.775 50 0 JJAAMO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000014881649 526564841 /nfs/dbraw/zinc/56/48/41/526564841.db2.gz CFMHPEIECOBCCU-VIZCGCQYSA-N 1 1 469.629 4.592 50 0 JJAAMO O=C(CCc1nc2ccccc2s1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014981431 526654989 /nfs/dbraw/zinc/65/49/89/526654989.db2.gz CVGQSUHWESBASQ-DEOSSOPVSA-N 1 1 457.599 4.981 50 0 JJAAMO O=C(c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033261207 526701634 /nfs/dbraw/zinc/70/16/34/526701634.db2.gz NQWJPLNAKIIZOO-UHFFFAOYSA-N 1 1 467.548 4.984 50 0 JJAAMO O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026155267 526774825 /nfs/dbraw/zinc/77/48/25/526774825.db2.gz LUIHYVQPRQSQRG-HHHXNRCGSA-N 1 1 456.586 4.792 50 0 JJAAMO O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035488898 526814784 /nfs/dbraw/zinc/81/47/84/526814784.db2.gz YFHSBVRSLHRWAC-ZGXDEKTJSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000035488898 526814792 /nfs/dbraw/zinc/81/47/92/526814792.db2.gz YFHSBVRSLHRWAC-ZGXDEKTJSA-N 1 1 461.924 4.782 50 0 JJAAMO Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000046141353 526864119 /nfs/dbraw/zinc/86/41/19/526864119.db2.gz NXCCWDQHBBPXLJ-HNNXBMFYSA-N 1 1 495.070 4.827 50 0 JJAAMO O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509505 526938661 /nfs/dbraw/zinc/93/86/61/526938661.db2.gz BDOQBYCMELCIIF-UHFFFAOYSA-N 1 1 485.559 4.931 50 0 JJAAMO Cc1nc(N2CCC[C@@H]([N@H+]3CC[C@H](c4ccccc4Cl)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000039557610 526965821 /nfs/dbraw/zinc/96/58/21/526965821.db2.gz GPVWDBHYSJBPDU-VQTJNVASSA-N 1 1 499.080 4.844 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014741993 527272876 /nfs/dbraw/zinc/27/28/76/527272876.db2.gz UZMRAPFUFBTMDK-IZZNHLLZSA-N 1 1 485.603 4.708 50 0 JJAAMO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000008590085 527348938 /nfs/dbraw/zinc/34/89/38/527348938.db2.gz FYKHKNXPZZVOEX-UHFFFAOYSA-N 1 1 494.611 4.977 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c3cc(Cl)c(Cl)cc3nc2Cc2ccc(C)cc2)CC1 ZINC000096289514 535630920 /nfs/dbraw/zinc/63/09/20/535630920.db2.gz IHXCXSSLLMCMFG-QGZVFWFLSA-N 1 1 459.421 4.967 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000000843553 553794293 /nfs/dbraw/zinc/79/42/93/553794293.db2.gz NVOFCQQDDIVHLH-IZZNHLLZSA-N 1 1 468.513 4.517 50 0 JJAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000002095598 554039938 /nfs/dbraw/zinc/03/99/38/554039938.db2.gz ULDVIANUJMKCJH-QKLQHJQFSA-N 1 1 482.411 4.743 50 0 biogenic JJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)c1OC ZINC000002209582 554094352 /nfs/dbraw/zinc/09/43/52/554094352.db2.gz MYYOQCDOAZWELE-AOYPEHQESA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccccc2)cc1OC ZINC000002224640 554102732 /nfs/dbraw/zinc/10/27/32/554102732.db2.gz QGBUGLBBBIVXCQ-IZZNHLLZSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002231580 554105607 /nfs/dbraw/zinc/10/56/07/554105607.db2.gz DXENYMPKELFRNA-RRPNLBNLSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000002231936 554105632 /nfs/dbraw/zinc/10/56/32/554105632.db2.gz DBBNYUIHBUOOJJ-FTJBHMTQSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000002231940 554105648 /nfs/dbraw/zinc/10/56/48/554105648.db2.gz DBBNYUIHBUOOJJ-UIOOFZCWSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000002437693 554208419 /nfs/dbraw/zinc/20/84/19/554208419.db2.gz WDASHXICNSHRRO-RRPNLBNLSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1F ZINC000008772444 554672294 /nfs/dbraw/zinc/67/22/94/554672294.db2.gz ZSWNGVKHZXIQND-QGZVFWFLSA-N 1 1 465.525 4.554 50 0 JJAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1F ZINC000008772444 554672295 /nfs/dbraw/zinc/67/22/95/554672295.db2.gz ZSWNGVKHZXIQND-QGZVFWFLSA-N 1 1 465.525 4.554 50 0 JJAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(Br)c1OC ZINC000008923435 554820632 /nfs/dbraw/zinc/82/06/32/554820632.db2.gz WSUZAAXSJQWSDN-GOSISDBHSA-N 1 1 466.401 4.723 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccc(F)c4)c2)N3)C1 ZINC000008928010 554825591 /nfs/dbraw/zinc/82/55/91/554825591.db2.gz OZPXNBIAPOZGQZ-NRFANRHFSA-N 1 1 451.523 4.913 50 0 JJAAMO COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C)C3 ZINC000009007844 554861230 /nfs/dbraw/zinc/86/12/30/554861230.db2.gz PHSGJPCQHLSALN-HNNXBMFYSA-N 1 1 487.217 4.699 50 0 JJAAMO COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C)C3 ZINC000009007844 554861232 /nfs/dbraw/zinc/86/12/32/554861232.db2.gz PHSGJPCQHLSALN-HNNXBMFYSA-N 1 1 487.217 4.699 50 0 JJAAMO CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000009119098 554909528 /nfs/dbraw/zinc/90/95/28/554909528.db2.gz NLEKXSPLEQHYRU-UHFFFAOYSA-N 1 1 499.652 4.614 50 0 JJAAMO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c12 ZINC000009266292 555042548 /nfs/dbraw/zinc/04/25/48/555042548.db2.gz VGMQQJNRZLIAKY-MRXNPFEDSA-N 1 1 454.018 4.851 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281280 555050548 /nfs/dbraw/zinc/05/05/48/555050548.db2.gz OMZCJLFMQVLRGE-GPUOULLFSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281280 555050549 /nfs/dbraw/zinc/05/05/49/555050549.db2.gz OMZCJLFMQVLRGE-GPUOULLFSA-N 1 1 458.986 4.664 50 0 JJAAMO Brc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000009309604 555084934 /nfs/dbraw/zinc/08/49/34/555084934.db2.gz PMPNBUHTEGUAMW-VXKWHMMOSA-N 1 1 458.319 4.648 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009345238 555111173 /nfs/dbraw/zinc/11/11/73/555111173.db2.gz LPVGFJHDJXLRJL-RPBOFIJWSA-N 1 1 450.498 4.586 50 0 JJAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1OC ZINC000009345323 555111409 /nfs/dbraw/zinc/11/14/09/555111409.db2.gz RQUKDUMOLOLWRW-SXOMAYOGSA-N 1 1 482.540 4.907 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)[C@@H](c3ccco3)C2)cc1 ZINC000009712334 555436457 /nfs/dbraw/zinc/43/64/57/555436457.db2.gz UTJJMRNYGHKKGX-RUZDIDTESA-N 1 1 470.573 4.616 50 0 JJAAMO O=C(/C(=C\c1ccc(F)cc1)n1ccccc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019831814 555505417 /nfs/dbraw/zinc/50/54/17/555505417.db2.gz PTXMHANVGVAJIS-WEMUOSSPSA-N 1 1 493.582 4.919 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019831868 555505669 /nfs/dbraw/zinc/50/56/69/555505669.db2.gz YIKKOQFADCCVLX-UHFFFAOYSA-N 1 1 477.630 4.528 50 0 JJAAMO C[NH+]1CCN(C(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000013574330 555512840 /nfs/dbraw/zinc/51/28/40/555512840.db2.gz NBGRRSVGTIFHDF-ITYLOYPMSA-N 1 1 487.600 4.893 50 0 JJAAMO CCc1cc([C@H](c2cccc(Cl)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880711 555525956 /nfs/dbraw/zinc/52/59/56/555525956.db2.gz AYZBCNIRBBQZMZ-DEOSSOPVSA-N 1 1 484.065 4.916 50 0 JJAAMO Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CCC(=O)N3CC[NH+](C)CC3)c(=O)oc12 ZINC000013627484 555539956 /nfs/dbraw/zinc/53/99/56/555539956.db2.gz JUYMPVKJBLGQHJ-UHFFFAOYSA-N 1 1 462.521 4.669 50 0 JJAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CC[NH+](C)CC1)occ3-c1ccc(Cl)cc1 ZINC000013629328 555540824 /nfs/dbraw/zinc/54/08/24/555540824.db2.gz NLAHKDOUXXQHEV-UHFFFAOYSA-N 1 1 464.949 4.875 50 0 JJAAMO CC[C@H](C)[N@@H+](CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)C1CCCCC1 ZINC000009847833 555549700 /nfs/dbraw/zinc/54/97/00/555549700.db2.gz BRSVDZSBCXWDIL-IBGZPJMESA-N 1 1 472.699 4.641 50 0 JJAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019940094 555558209 /nfs/dbraw/zinc/55/82/09/555558209.db2.gz UEJOSIXKRDQYFY-UHFFFAOYSA-N 1 1 483.659 4.787 50 0 JJAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](Cc1ccccc1)C3 ZINC000019940094 555558212 /nfs/dbraw/zinc/55/82/12/555558212.db2.gz UEJOSIXKRDQYFY-UHFFFAOYSA-N 1 1 483.659 4.787 50 0 JJAAMO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@H]3CCC[N@H+]4CCCC[C@H]34)c2n1 ZINC000009972254 555571689 /nfs/dbraw/zinc/57/16/89/555571689.db2.gz VGDAQBDEZHYPBP-OXQOHEQNSA-N 1 1 470.520 4.764 50 0 JJAAMO CCOc1cc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](CC)CC2)cc(OCC)c1OCC ZINC000010004206 555591177 /nfs/dbraw/zinc/59/11/77/555591177.db2.gz PDGGUVKLXKBJSO-UHFFFAOYSA-N 1 1 476.017 4.930 50 0 JJAAMO CCOc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000013811499 555628049 /nfs/dbraw/zinc/62/80/49/555628049.db2.gz XRJFBULXLWHWTL-SXOMAYOGSA-N 1 1 482.540 4.907 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000013811446 555628215 /nfs/dbraw/zinc/62/82/15/555628215.db2.gz YMUHAPPTWJGBMC-FTJBHMTQSA-N 1 1 480.524 4.594 50 0 JJAAMO O=C(C1CC[NH+](Cc2c(F)cccc2Cl)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020100578 555633474 /nfs/dbraw/zinc/63/34/74/555633474.db2.gz COJSZXWTLZUQEN-VMPITWQZSA-N 1 1 456.005 4.549 50 0 JJAAMO O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020111956 555649057 /nfs/dbraw/zinc/64/90/57/555649057.db2.gz ZPIYIYHQHDNCLE-UHFFFAOYSA-N 1 1 483.490 4.791 50 0 JJAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)cc1 ZINC000020137474 555661038 /nfs/dbraw/zinc/66/10/38/555661038.db2.gz PEWXXEBVFHJXDJ-UHFFFAOYSA-N 1 1 453.542 4.898 50 0 aggregator JJAAMO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000020181300 555688322 /nfs/dbraw/zinc/68/83/22/555688322.db2.gz SWABLYAVFWYKEX-YZYPULCFSA-N 1 1 463.647 4.713 50 0 JJAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)[NH+](C)C ZINC000014122117 555695025 /nfs/dbraw/zinc/69/50/25/555695025.db2.gz MCQXFBDEWFGLHM-MMBGETBOSA-N 1 1 475.633 4.883 50 0 JJAAMO O=C(C[NH+]1CCCC1)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000010435190 555709841 /nfs/dbraw/zinc/70/98/41/555709841.db2.gz IRMBVIODJYATEA-VWLOTQADSA-N 1 1 465.557 4.906 50 0 JJAAMO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000020283742 555753051 /nfs/dbraw/zinc/75/30/51/555753051.db2.gz QEXVDQQGVKHKAK-UHFFFAOYSA-N 1 1 459.981 4.649 50 0 JJAAMO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)c1 ZINC000020293865 555762605 /nfs/dbraw/zinc/76/26/05/555762605.db2.gz WXMQGSILTUSWHJ-RUZDIDTESA-N 1 1 479.020 4.750 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@H]2C)c1 ZINC000020329387 555775498 /nfs/dbraw/zinc/77/54/98/555775498.db2.gz FYXBWCHZYQXSTO-HXUWFJFHSA-N 1 1 461.631 4.947 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508685 555792035 /nfs/dbraw/zinc/79/20/35/555792035.db2.gz HDBWJRWHMUNQDF-BTZRARBUSA-N 1 1 465.663 4.962 50 0 JJAAMO CC[C@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532128 555800072 /nfs/dbraw/zinc/80/00/72/555800072.db2.gz LNRDCZGUWQXODE-SFHVURJKSA-N 1 1 454.596 4.817 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020532316 555801722 /nfs/dbraw/zinc/80/17/22/555801722.db2.gz TXRWABXMOUOSHS-DEOSSOPVSA-N 1 1 485.657 4.986 50 0 JJAAMO COc1cc(CN2C(=O)CC[C@@H]3C[N@H+](C/C(C)=C/c4ccccc4)CC[C@@H]32)cc(OC)c1OC ZINC000011787916 555822266 /nfs/dbraw/zinc/82/22/66/555822266.db2.gz HYAZFLGFQYKDEE-LXENARQHSA-N 1 1 464.606 4.629 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCc3ccccc32)s1 ZINC000020597733 555839264 /nfs/dbraw/zinc/83/92/64/555839264.db2.gz AIANAFMEZNPUOJ-UHFFFAOYSA-N 1 1 474.674 4.770 50 0 JJAAMO COc1ccccc1[C@@H]([C@H](O)C(=O)c1c[nH]c2ccccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015017582 555858792 /nfs/dbraw/zinc/85/87/92/555858792.db2.gz ZUKHPVKRMOMZBA-XCZPVHLTSA-N 1 1 490.003 4.937 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000011965524 555871639 /nfs/dbraw/zinc/87/16/39/555871639.db2.gz XTQFBDDTVZEHDC-URXFXBBRSA-N 1 1 472.614 4.623 50 0 JJAAMO O=C([C@H]1CC12CC[NH+](Cc1nc3ccccc3s1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012027392 555885963 /nfs/dbraw/zinc/88/59/63/555885963.db2.gz XMXCDLUUZSMQMF-CCWPHWCFSA-N 1 1 486.685 4.756 50 0 JJAAMO CC(C)NC(=O)c1ccc(-c2csc3ccccc23)nc1N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000012034600 555888209 /nfs/dbraw/zinc/88/82/09/555888209.db2.gz HFMXGNGKSBENAV-HXUWFJFHSA-N 1 1 492.689 4.775 50 0 JJAAMO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012037125 555890077 /nfs/dbraw/zinc/89/00/77/555890077.db2.gz SZHXOPXNTHGDJC-QHCPKHFHSA-N 1 1 495.627 4.715 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccs1)Sc1ccccc1-2 ZINC000012039182 555892003 /nfs/dbraw/zinc/89/20/03/555892003.db2.gz GZQIVYVSTZMHSP-KOSHJBKYSA-N 1 1 479.671 4.811 50 0 JJAAMO COc1cc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)ccc1F ZINC000012041811 555894403 /nfs/dbraw/zinc/89/44/03/555894403.db2.gz OUANBEDGGGMDRT-DEOSSOPVSA-N 1 1 493.627 4.618 50 0 JJAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)ccc1F ZINC000012041811 555894406 /nfs/dbraw/zinc/89/44/06/555894406.db2.gz OUANBEDGGGMDRT-DEOSSOPVSA-N 1 1 493.627 4.618 50 0 JJAAMO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015318874 555896913 /nfs/dbraw/zinc/89/69/13/555896913.db2.gz UHJMVOIXJUEBBJ-UTKZUKDTSA-N 1 1 470.520 4.764 50 0 JJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000015318880 555897044 /nfs/dbraw/zinc/89/70/44/555897044.db2.gz MEMMJGXLTRSCSG-UTKZUKDTSA-N 1 1 484.522 4.935 50 0 JJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000015319145 555897208 /nfs/dbraw/zinc/89/72/08/555897208.db2.gz ZHKOJPHSOWHHAZ-JXFKEZNVSA-N 1 1 476.474 4.976 50 0 JJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccs2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012054685 555897865 /nfs/dbraw/zinc/89/78/65/555897865.db2.gz RZNSHXXCABWUSH-WMZHIEFXSA-N 1 1 495.611 4.733 50 0 JJAAMO COC(=O)CC[C@H]1CN(Cc2cccs2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012054685 555897868 /nfs/dbraw/zinc/89/78/68/555897868.db2.gz RZNSHXXCABWUSH-WMZHIEFXSA-N 1 1 495.611 4.733 50 0 JJAAMO COC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)CCCCc2ccccc2)CCO3)C1 ZINC000012098715 555905707 /nfs/dbraw/zinc/90/57/07/555905707.db2.gz YKFRVXBTWCQPNW-VWLOTQADSA-N 1 1 450.623 4.679 50 0 JJAAMO COCC[N@@H+](Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccc(C)cc1)C(C)C ZINC000012150494 555922787 /nfs/dbraw/zinc/92/27/87/555922787.db2.gz REYQBDPXEWZZDZ-UHFFFAOYSA-N 1 1 455.580 4.500 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccc(F)c(F)c2)CC3)c1 ZINC000012190729 555937857 /nfs/dbraw/zinc/93/78/57/555937857.db2.gz YMMRDLVJYFYCNJ-DEOSSOPVSA-N 1 1 481.591 4.749 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(F)c(F)c2)CC3)c1 ZINC000012190729 555937859 /nfs/dbraw/zinc/93/78/59/555937859.db2.gz YMMRDLVJYFYCNJ-DEOSSOPVSA-N 1 1 481.591 4.749 50 0 JJAAMO CC(=O)Nc1ccc(C[N@@H+]2CCOc3ccc(C4(O)CCN(c5ccccc5F)CC4)cc3C2)cc1 ZINC000012191528 555939146 /nfs/dbraw/zinc/93/91/46/555939146.db2.gz OODHOQLSMISHRD-UHFFFAOYSA-N 1 1 489.591 4.667 50 0 JJAAMO CC(=O)Nc1ccc(C[N@H+]2CCOc3ccc(C4(O)CCN(c5ccccc5F)CC4)cc3C2)cc1 ZINC000012191528 555939148 /nfs/dbraw/zinc/93/91/48/555939148.db2.gz OODHOQLSMISHRD-UHFFFAOYSA-N 1 1 489.591 4.667 50 0 JJAAMO Cc1ccccc1C[NH+]1CCN(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)CC1 ZINC000022915381 555969743 /nfs/dbraw/zinc/96/97/43/555969743.db2.gz CODVEAHZHFIDJU-UHFFFAOYSA-N 1 1 465.022 4.931 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000015732223 555976679 /nfs/dbraw/zinc/97/66/79/555976679.db2.gz CDMOYCPNUCXEFJ-SFHVURJKSA-N 1 1 464.591 4.810 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2)CC1 ZINC000022938123 555991165 /nfs/dbraw/zinc/99/11/65/555991165.db2.gz LSKISZMCPYFYLX-UHFFFAOYSA-N 1 1 459.619 4.785 50 0 JJAAMO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)c1C ZINC000012521121 555992254 /nfs/dbraw/zinc/99/22/54/555992254.db2.gz VCJLJFZAWRXHGW-XMMPIXPASA-N 1 1 481.618 4.654 50 0 JJAAMO Cc1csc(C[N@H+](C)[C@@H]2CCc3c(sc4ncn(Cc5cccc(Cl)c5)c(=O)c34)C2)n1 ZINC000023130115 556019304 /nfs/dbraw/zinc/01/93/04/556019304.db2.gz SMBSWNNOSAUBRY-QGZVFWFLSA-N 1 1 471.051 4.914 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C)CC1)CCC2 ZINC000015946660 556083252 /nfs/dbraw/zinc/08/32/52/556083252.db2.gz QWMNAIMYBFGICZ-UHFFFAOYSA-N 1 1 462.015 4.822 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000016043179 556122493 /nfs/dbraw/zinc/12/24/93/556122493.db2.gz BACBBWRARCHFCT-OLSRWKBDSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000016043179 556122496 /nfs/dbraw/zinc/12/24/96/556122496.db2.gz BACBBWRARCHFCT-OLSRWKBDSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012923585 556142172 /nfs/dbraw/zinc/14/21/72/556142172.db2.gz LJIDURUPHDEPBU-UHFFFAOYSA-N 1 1 459.171 4.655 50 0 JJAAMO C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012923585 556142174 /nfs/dbraw/zinc/14/21/74/556142174.db2.gz LJIDURUPHDEPBU-UHFFFAOYSA-N 1 1 459.171 4.655 50 0 JJAAMO C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891014 556171867 /nfs/dbraw/zinc/17/18/67/556171867.db2.gz SBACLNAHGAEYAL-IQGLISFBSA-N 1 1 455.574 4.637 50 0 JJAAMO COc1cccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1OC ZINC000016891119 556172023 /nfs/dbraw/zinc/17/20/23/556172023.db2.gz NKCZTMVWIMXERM-UUOWRZLLSA-N 1 1 483.609 4.586 50 0 JJAAMO C[C@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891028 556172057 /nfs/dbraw/zinc/17/20/57/556172057.db2.gz HUNCPUYVRHVDSC-QMHKHESXSA-N 1 1 459.537 4.847 50 0 JJAAMO C[C@@H](NC(=O)c1ccc(N(C)C)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891060 556172190 /nfs/dbraw/zinc/17/21/90/556172190.db2.gz KVEZUMMMJLUUKI-KBMIEXCESA-N 1 1 466.626 4.635 50 0 JJAAMO COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1OC ZINC000016891113 556172221 /nfs/dbraw/zinc/17/22/21/556172221.db2.gz NKCZTMVWIMXERM-MHECFPHRSA-N 1 1 483.609 4.586 50 0 JJAAMO Cc1c(-c2ccccc2)sc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1C(=O)N1CCOCC1 ZINC000025047038 556173840 /nfs/dbraw/zinc/17/38/40/556173840.db2.gz RCZGMPGKIZBHOP-HSZRJFAPSA-N 1 1 489.641 4.754 50 0 JJAAMO Cc1c(-c2ccccc2)sc(NC(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)c1C(=O)N1CCOCC1 ZINC000025047038 556173843 /nfs/dbraw/zinc/17/38/43/556173843.db2.gz RCZGMPGKIZBHOP-HSZRJFAPSA-N 1 1 489.641 4.754 50 0 JJAAMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1C(=O)NCc1ccco1 ZINC000012983433 556176709 /nfs/dbraw/zinc/17/67/09/556176709.db2.gz WSUMKHUFQIGYFE-LJQANCHMSA-N 1 1 488.613 4.662 50 0 JJAAMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1C(=O)NCc1ccco1 ZINC000012983433 556176710 /nfs/dbraw/zinc/17/67/10/556176710.db2.gz WSUMKHUFQIGYFE-LJQANCHMSA-N 1 1 488.613 4.662 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012994338 556186871 /nfs/dbraw/zinc/18/68/71/556186871.db2.gz AAZRHAYJTMRFEF-NLFFAJNJSA-N 1 1 452.551 4.701 50 0 JJAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000013018605 556210563 /nfs/dbraw/zinc/21/05/63/556210563.db2.gz OAYFWBBZUXCTOV-FQEVSTJZSA-N 1 1 477.630 4.955 50 0 JJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(c5ccc(F)cc5)CC3)n2)CCC4)CC1 ZINC000013038823 556238110 /nfs/dbraw/zinc/23/81/10/556238110.db2.gz FEVXNDRLSAZVLS-UHFFFAOYSA-N 1 1 465.642 4.878 50 0 JJAAMO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)cc1C ZINC000026571108 556257161 /nfs/dbraw/zinc/25/71/61/556257161.db2.gz UCYBBYCXHMQECK-AREMUKBSSA-N 1 1 479.020 4.750 50 0 JJAAMO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)cc1C ZINC000026571111 556257197 /nfs/dbraw/zinc/25/71/97/556257197.db2.gz UCYBBYCXHMQECK-SANMLTNESA-N 1 1 479.020 4.750 50 0 JJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000018093468 556286604 /nfs/dbraw/zinc/28/66/04/556286604.db2.gz DDACZAYZADPJCI-NDEPHWFRSA-N 1 1 498.623 4.755 50 0 JJAAMO COc1cc(C[N@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C2CC2)ccc1OC(F)F ZINC000027548830 556295599 /nfs/dbraw/zinc/29/55/99/556295599.db2.gz ATZYLSUJUDOFCF-UHFFFAOYSA-N 1 1 459.537 4.808 50 0 JJAAMO COc1cc(C[N@@H+](CC(=O)Nc2ccc(N3CCCC3)cc2C)C2CC2)ccc1OC(F)F ZINC000027548830 556295602 /nfs/dbraw/zinc/29/56/02/556295602.db2.gz ATZYLSUJUDOFCF-UHFFFAOYSA-N 1 1 459.537 4.808 50 0 JJAAMO CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000013108513 556305937 /nfs/dbraw/zinc/30/59/37/556305937.db2.gz AWJJLTUWXUNQHD-JOCHJYFZSA-N 1 1 477.992 4.566 50 0 JJAAMO CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000013108513 556305942 /nfs/dbraw/zinc/30/59/42/556305942.db2.gz AWJJLTUWXUNQHD-JOCHJYFZSA-N 1 1 477.992 4.566 50 0 JJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Nc4ccc(OC(F)(F)F)cc4)CC3)C2=O)cc1 ZINC000018220119 556312887 /nfs/dbraw/zinc/31/28/87/556312887.db2.gz SGKWXZNWVOGFCG-QFIPXVFZSA-N 1 1 491.510 4.582 50 0 JJAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000013122750 556338944 /nfs/dbraw/zinc/33/89/44/556338944.db2.gz YEXICRGWCBCMNY-VXKWHMMOSA-N 1 1 458.319 4.648 50 0 JJAAMO O=C(CCc1nnc(-c2ccccc2)o1)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181302 556364300 /nfs/dbraw/zinc/36/43/00/556364300.db2.gz NBRJSXSFEJZQRO-UHFFFAOYSA-N 1 1 476.577 4.881 50 0 JJAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000013135807 556366447 /nfs/dbraw/zinc/36/64/47/556366447.db2.gz JUHKKAOQMHXTRE-DEOSSOPVSA-N 1 1 471.544 4.623 50 0 JJAAMO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793668 556373082 /nfs/dbraw/zinc/37/30/82/556373082.db2.gz ZSFDOFYFCUDMHB-UHFFFAOYSA-N 1 1 466.629 4.810 50 0 JJAAMO C[N@H+](Cc1cscn1)[C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000019795248 556373957 /nfs/dbraw/zinc/37/39/57/556373957.db2.gz HYGIKTCSAUUBAW-QGZVFWFLSA-N 1 1 471.051 4.800 50 0 JJAAMO C[N@@H+](Cc1cscn1)[C@@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000019795248 556373960 /nfs/dbraw/zinc/37/39/60/556373960.db2.gz HYGIKTCSAUUBAW-QGZVFWFLSA-N 1 1 471.051 4.800 50 0 JJAAMO COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCCC2)c1 ZINC000032622203 556451708 /nfs/dbraw/zinc/45/17/08/556451708.db2.gz QTVQYQGHFGASNB-QFIPXVFZSA-N 1 1 469.969 4.969 50 0 JJAAMO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c(=O)n1Cc1ccco1 ZINC000008617141 562948179 /nfs/dbraw/zinc/94/81/79/562948179.db2.gz JWTIXQUEOUMPDA-HHHXNRCGSA-N 1 1 473.548 4.554 50 0 aggregator JJAAMO Brc1ccc(-c2nnc3sc(C[NH+]4CCN(c5ccccc5)CC4)cn32)cc1 ZINC000057005048 563206446 /nfs/dbraw/zinc/20/64/46/563206446.db2.gz SKGGEOOIMOJPAA-UHFFFAOYSA-N 1 1 454.397 4.543 50 0 JJAAMO COc1cccc([C@@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)[NH+]2CCCC2)c1 ZINC000008706895 569594657 /nfs/dbraw/zinc/59/46/57/569594657.db2.gz ZTTYCHABEIMBPM-LJQANCHMSA-N 1 1 493.917 4.557 50 0 JJAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000057281238 569595405 /nfs/dbraw/zinc/59/54/05/569595405.db2.gz JDHIVXDMRGACOC-SANMLTNESA-N 1 1 471.557 4.754 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000059487371 569605352 /nfs/dbraw/zinc/60/53/52/569605352.db2.gz TXYVFFUIEMPVJQ-OMICENBGSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000059487371 569605354 /nfs/dbraw/zinc/60/53/54/569605354.db2.gz TXYVFFUIEMPVJQ-OMICENBGSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000061999378 569609955 /nfs/dbraw/zinc/60/99/55/569609955.db2.gz SONRSWJUBNYORB-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000061999378 569609956 /nfs/dbraw/zinc/60/99/56/569609956.db2.gz SONRSWJUBNYORB-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc4c(c3)NC(=O)c3ccccc3S4)CC2)c1C ZINC000063502983 569615278 /nfs/dbraw/zinc/61/52/78/569615278.db2.gz IOXHHZILTQPFJR-UHFFFAOYSA-N 1 1 486.641 4.572 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccc(Oc5ccccc5)c4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000064061528 569616172 /nfs/dbraw/zinc/61/61/72/569616172.db2.gz KTJOUGSCCUHNOG-RUZDIDTESA-N 1 1 497.595 4.576 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000064198921 569616443 /nfs/dbraw/zinc/61/64/43/569616443.db2.gz DZAAESPYYUEWME-PWCMIJAKSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000064198921 569616444 /nfs/dbraw/zinc/61/64/44/569616444.db2.gz DZAAESPYYUEWME-PWCMIJAKSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801090 569631396 /nfs/dbraw/zinc/63/13/96/569631396.db2.gz DIVLAWZRHHVCEN-UHFFFAOYSA-N 1 1 457.456 4.636 50 0 JJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801883 569631674 /nfs/dbraw/zinc/63/16/74/569631674.db2.gz ZHELDHQWBDUVII-UHFFFAOYSA-N 1 1 457.987 4.973 50 0 JJAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c(Br)c1 ZINC000033900370 569637245 /nfs/dbraw/zinc/63/72/45/569637245.db2.gz KYEUWQRVZZOKSC-LRSLUSHPSA-N 1 1 493.401 4.888 50 0 JJAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(Br)c1 ZINC000033900370 569637246 /nfs/dbraw/zinc/63/72/46/569637246.db2.gz KYEUWQRVZZOKSC-LRSLUSHPSA-N 1 1 493.401 4.888 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000034669789 569640665 /nfs/dbraw/zinc/64/06/65/569640665.db2.gz UEPLITUZENKSFC-SGIRGMQISA-N 1 1 470.560 4.720 50 0 JJAAMO Cc1cc(C)cc(C[NH+]2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)c1 ZINC000034678018 569642284 /nfs/dbraw/zinc/64/22/84/569642284.db2.gz YTJWJRMQLHFUAA-UHFFFAOYSA-N 1 1 486.538 4.558 50 0 JJAAMO Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034683857 569644626 /nfs/dbraw/zinc/64/46/26/569644626.db2.gz HFOGANAZJTZVPD-UHFFFAOYSA-N 1 1 470.616 4.645 50 0 JJAAMO CCc1ccc(N(C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683974 569644788 /nfs/dbraw/zinc/64/47/88/569644788.db2.gz MFCAJEVOCPOKEE-UHFFFAOYSA-N 1 1 480.630 4.823 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023531 569649826 /nfs/dbraw/zinc/64/98/26/569649826.db2.gz JRLZYJKZTMKBKW-DEOSSOPVSA-N 1 1 475.612 4.528 50 0 JJAAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711149 569650838 /nfs/dbraw/zinc/65/08/38/569650838.db2.gz KVXBYQGFDCZYPW-VXKWHMMOSA-N 1 1 464.512 4.616 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000034716784 569651983 /nfs/dbraw/zinc/65/19/83/569651983.db2.gz RAFFUFMWAUILHI-TZRRMPRUSA-N 1 1 484.587 4.681 50 0 JJAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787170 569659550 /nfs/dbraw/zinc/65/95/50/569659550.db2.gz JOGOBTZBNFLWAW-AREMUKBSSA-N 1 1 494.060 4.724 50 0 JJAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787170 569659552 /nfs/dbraw/zinc/65/95/52/569659552.db2.gz JOGOBTZBNFLWAW-AREMUKBSSA-N 1 1 494.060 4.724 50 0 JJAAMO CCCCCCC(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787373 569659701 /nfs/dbraw/zinc/65/97/01/569659701.db2.gz OGYKJYPJVSWNNS-HHHXNRCGSA-N 1 1 467.679 4.727 50 0 JJAAMO CCCCCCC(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787373 569659703 /nfs/dbraw/zinc/65/97/03/569659703.db2.gz OGYKJYPJVSWNNS-HHHXNRCGSA-N 1 1 467.679 4.727 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034829617 569663240 /nfs/dbraw/zinc/66/32/40/569663240.db2.gz ZMXQAMLTFFRSJD-ZBLYBZFDSA-N 1 1 467.679 4.725 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@H]1C ZINC000034829617 569663241 /nfs/dbraw/zinc/66/32/41/569663241.db2.gz ZMXQAMLTFFRSJD-ZBLYBZFDSA-N 1 1 467.679 4.725 50 0 JJAAMO CCCCCC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830325 569663924 /nfs/dbraw/zinc/66/39/24/569663924.db2.gz KHSPAIOCCREAAE-LVXARBLLSA-N 1 1 467.679 4.644 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833455 569664520 /nfs/dbraw/zinc/66/45/20/569664520.db2.gz XRIGNIHDMZHMHE-SFHVURJKSA-N 1 1 451.590 4.827 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000034896592 569669553 /nfs/dbraw/zinc/66/95/53/569669553.db2.gz VZDZXMWEJZYSGP-HZPDHXFCSA-N 1 1 474.623 4.526 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000034896592 569669555 /nfs/dbraw/zinc/66/95/55/569669555.db2.gz VZDZXMWEJZYSGP-HZPDHXFCSA-N 1 1 474.623 4.526 50 0 JJAAMO COC(=O)CC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034925622 569673076 /nfs/dbraw/zinc/67/30/76/569673076.db2.gz YLTSIGBAKSDRNV-RDGATRHJSA-N 1 1 489.582 4.671 50 0 JJAAMO COC(=O)CC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034925622 569673077 /nfs/dbraw/zinc/67/30/77/569673077.db2.gz YLTSIGBAKSDRNV-RDGATRHJSA-N 1 1 489.582 4.671 50 0 JJAAMO Cc1c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000035512707 569698621 /nfs/dbraw/zinc/69/86/21/569698621.db2.gz XNHUWWMCJJAJKQ-UHFFFAOYSA-N 1 1 484.691 4.763 50 0 JJAAMO CCCN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3ccccc3C)CC2)CC1 ZINC000035561573 569704518 /nfs/dbraw/zinc/70/45/18/569704518.db2.gz VOSSTVVHADTNAK-UHFFFAOYSA-N 1 1 472.677 4.764 50 0 JJAAMO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000078718296 569706460 /nfs/dbraw/zinc/70/64/60/569706460.db2.gz DSYAOLSAEKBHNK-IBGZPJMESA-N 1 1 469.630 4.764 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000085407112 569710237 /nfs/dbraw/zinc/71/02/37/569710237.db2.gz XQJSABNOIJTDSU-HNNXBMFYSA-N 1 1 463.384 4.798 50 0 JJAAMO CCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844819 569715473 /nfs/dbraw/zinc/71/54/73/569715473.db2.gz WRJFXRMJDJZEQO-UHFFFAOYSA-N 1 1 462.590 4.858 50 0 JJAAMO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(C(=O)OC)c1 ZINC000035844819 569715474 /nfs/dbraw/zinc/71/54/74/569715474.db2.gz WRJFXRMJDJZEQO-UHFFFAOYSA-N 1 1 462.590 4.858 50 0 JJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)o1 ZINC000035844889 569715597 /nfs/dbraw/zinc/71/55/97/569715597.db2.gz YKGMKLMKZQQNIN-AREMUKBSSA-N 1 1 464.581 4.980 50 0 JJAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)o1 ZINC000035844889 569715598 /nfs/dbraw/zinc/71/55/98/569715598.db2.gz YKGMKLMKZQQNIN-AREMUKBSSA-N 1 1 464.581 4.980 50 0 JJAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000089573846 569719011 /nfs/dbraw/zinc/71/90/11/569719011.db2.gz MXEARARUYSRHEG-KBPBESRZSA-N 1 1 451.880 4.608 50 0 JJAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000089573846 569719012 /nfs/dbraw/zinc/71/90/12/569719012.db2.gz MXEARARUYSRHEG-KBPBESRZSA-N 1 1 451.880 4.608 50 0 JJAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)c(Cl)cc3nc2Cc2ccccc2Cl)CC1 ZINC000095536243 569725793 /nfs/dbraw/zinc/72/57/93/569725793.db2.gz HLXYSNXSTWHSJF-UHFFFAOYSA-N 1 1 465.812 4.751 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccc(F)cc2)CC1 ZINC000095546786 569727245 /nfs/dbraw/zinc/72/72/45/569727245.db2.gz VQDFDNIKJXIWKN-UHFFFAOYSA-N 1 1 467.614 4.600 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccco4)n3-c3ccc(F)cc3)c2)CC1 ZINC000095546839 569727306 /nfs/dbraw/zinc/72/73/06/569727306.db2.gz KNJIDJDGWOTZGP-UHFFFAOYSA-N 1 1 491.592 4.736 50 0 JJAAMO COc1cccc(C[N@H+]2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925701 569729165 /nfs/dbraw/zinc/72/91/65/569729165.db2.gz HLGZEBACTRGROU-UHFFFAOYSA-N 1 1 470.621 4.735 50 0 JJAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)Cc3ccc(OC)cc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926209 569729642 /nfs/dbraw/zinc/72/96/42/569729642.db2.gz NTRZLIJIRJDSDZ-UHFFFAOYSA-N 1 1 474.649 4.937 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2Cc2ccccc2)CC1 ZINC000095925476 569730076 /nfs/dbraw/zinc/73/00/76/569730076.db2.gz DMZKXZMXWRGPHY-UHFFFAOYSA-N 1 1 463.651 4.520 50 0 JJAAMO Cc1ccccc1-n1c(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)nnc1-c1cccs1 ZINC000095926384 569730338 /nfs/dbraw/zinc/73/03/38/569730338.db2.gz ZNZRWWVYTUQABJ-UHFFFAOYSA-N 1 1 489.670 4.984 50 0 JJAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccccc4)c2CC[N@H+]1C)OCO3 ZINC000096134190 569736423 /nfs/dbraw/zinc/73/64/23/569736423.db2.gz AQPMWHZCQXTYCJ-PKTZIBPZSA-N 1 1 489.524 4.549 50 0 JJAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccccc4)c2CC[N@@H+]1C)OCO3 ZINC000096134190 569736425 /nfs/dbraw/zinc/73/64/25/569736425.db2.gz AQPMWHZCQXTYCJ-PKTZIBPZSA-N 1 1 489.524 4.549 50 0 JJAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccsc3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000096134195 569736429 /nfs/dbraw/zinc/73/64/29/569736429.db2.gz YLYJEFHGESIWKA-RTWAWAEBSA-N 1 1 495.553 4.610 50 0 JJAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccsc3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000096134195 569736431 /nfs/dbraw/zinc/73/64/31/569736431.db2.gz YLYJEFHGESIWKA-RTWAWAEBSA-N 1 1 495.553 4.610 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043008 569754399 /nfs/dbraw/zinc/75/43/99/569754399.db2.gz LVZCUDIOERYWFV-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043008 569754400 /nfs/dbraw/zinc/75/44/00/569754400.db2.gz LVZCUDIOERYWFV-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043010 569754435 /nfs/dbraw/zinc/75/44/35/569754435.db2.gz LVZCUDIOERYWFV-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043010 569754436 /nfs/dbraw/zinc/75/44/36/569754436.db2.gz LVZCUDIOERYWFV-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043090 569754569 /nfs/dbraw/zinc/75/45/69/569754569.db2.gz JDMVDZFRSMFIBY-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043090 569754570 /nfs/dbraw/zinc/75/45/70/569754570.db2.gz JDMVDZFRSMFIBY-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043093 569754718 /nfs/dbraw/zinc/75/47/18/569754718.db2.gz JDMVDZFRSMFIBY-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043093 569754720 /nfs/dbraw/zinc/75/47/20/569754720.db2.gz JDMVDZFRSMFIBY-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249919 569758111 /nfs/dbraw/zinc/75/81/11/569758111.db2.gz NIGLWIRKIAXKQV-DEOSSOPVSA-N 1 1 451.611 4.894 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000036249904 569758193 /nfs/dbraw/zinc/75/81/93/569758193.db2.gz WKQZHYLVQJTJJC-VWLOTQADSA-N 1 1 491.632 4.894 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccs1 ZINC000036312142 569759938 /nfs/dbraw/zinc/75/99/38/569759938.db2.gz IMDXMHWPVQZRLE-QGZVFWFLSA-N 1 1 456.587 4.735 50 0 JJAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccco2)C(=O)c2ccc(F)cc2)CC1 ZINC000036312097 569759992 /nfs/dbraw/zinc/75/99/92/569759992.db2.gz VHTAJGSSXTXDAZ-UHFFFAOYSA-N 1 1 492.526 4.807 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000036312158 569760150 /nfs/dbraw/zinc/76/01/50/569760150.db2.gz PWDIWWGEJLZRNM-GOSISDBHSA-N 1 1 468.548 4.813 50 0 JJAAMO CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036312298 569760166 /nfs/dbraw/zinc/76/01/66/569760166.db2.gz FJVSQWKZYWWJBR-UHFFFAOYSA-N 1 1 464.585 4.921 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313648 569760870 /nfs/dbraw/zinc/76/08/70/569760870.db2.gz XWXGVNSXGMQUJN-QHCPKHFHSA-N 1 1 467.610 4.505 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313802 569761135 /nfs/dbraw/zinc/76/11/35/569761135.db2.gz CJKYUTHMVSGJPQ-QHCPKHFHSA-N 1 1 497.636 4.514 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000036341607 569764696 /nfs/dbraw/zinc/76/46/96/569764696.db2.gz ULZMDVOZEYFHRC-MHZLTWQESA-N 1 1 473.020 4.836 50 0 JJAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3)C2)c1 ZINC000036344299 569766845 /nfs/dbraw/zinc/76/68/45/569766845.db2.gz BGSVJWVEYCDTCA-LJAQVGFWSA-N 1 1 466.629 4.799 50 0 JJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036344356 569766849 /nfs/dbraw/zinc/76/68/49/569766849.db2.gz RSMNCALSVAUVBK-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036344356 569766850 /nfs/dbraw/zinc/76/68/50/569766850.db2.gz RSMNCALSVAUVBK-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)c1 ZINC000036344300 569766953 /nfs/dbraw/zinc/76/69/53/569766953.db2.gz BGSVJWVEYCDTCA-GDLZYMKVSA-N 1 1 466.629 4.799 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036345112 569767717 /nfs/dbraw/zinc/76/77/17/569767717.db2.gz BKWCVVOTSBYZLE-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345978 569768548 /nfs/dbraw/zinc/76/85/48/569768548.db2.gz SZMJLNFMFJKFKW-QFIPXVFZSA-N 1 1 455.574 4.968 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346104 569769056 /nfs/dbraw/zinc/76/90/56/569769056.db2.gz QGJMAYSCTSWGFY-QFIPXVFZSA-N 1 1 453.558 4.722 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036346400 569769672 /nfs/dbraw/zinc/76/96/72/569769672.db2.gz MDZDZPDGZRVGTP-AHWVRZQESA-N 1 1 497.611 4.879 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036346400 569769674 /nfs/dbraw/zinc/76/96/74/569769674.db2.gz MDZDZPDGZRVGTP-AHWVRZQESA-N 1 1 497.611 4.879 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COCC ZINC000036346614 569770409 /nfs/dbraw/zinc/77/04/09/569770409.db2.gz FWZPTXDDBYEBFN-OAQYLSRUSA-N 1 1 459.537 4.861 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346648 569770454 /nfs/dbraw/zinc/77/04/54/569770454.db2.gz FCNXEOXGCVEIPT-QFIPXVFZSA-N 1 1 459.537 4.859 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346714 569770653 /nfs/dbraw/zinc/77/06/53/569770653.db2.gz DJYICQZOZCXBFD-QFIPXVFZSA-N 1 1 459.537 4.859 50 0 JJAAMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000036628318 569779033 /nfs/dbraw/zinc/77/90/33/569779033.db2.gz HVEZDHONPJDAGC-UHFFFAOYSA-N 1 1 455.562 4.545 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@H](C)N(c2nc(-c3ccc(OC)cc3)cs2)c2ccc(OC)cc2)CC1 ZINC000037438813 569790459 /nfs/dbraw/zinc/79/04/59/569790459.db2.gz YBQKVXZSKQRELX-IBGZPJMESA-N 1 1 480.634 4.518 50 0 JJAAMO CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546473 569803124 /nfs/dbraw/zinc/80/31/24/569803124.db2.gz NZRDTZANLANANH-QHCPKHFHSA-N 1 1 469.607 4.510 50 0 JJAAMO COc1cccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c1 ZINC000038546491 569803212 /nfs/dbraw/zinc/80/32/12/569803212.db2.gz AXYUKXJQUMJCLC-XMMPIXPASA-N 1 1 465.619 4.818 50 0 JJAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F)CC[N@H+](Cc1ccccc1)C2 ZINC000101798726 569805323 /nfs/dbraw/zinc/80/53/23/569805323.db2.gz MKSUWQRRCCDAMD-UHFFFAOYSA-N 1 1 484.522 4.583 50 0 JJAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798726 569805325 /nfs/dbraw/zinc/80/53/25/569805325.db2.gz MKSUWQRRCCDAMD-UHFFFAOYSA-N 1 1 484.522 4.583 50 0 JJAAMO CC[C@H](c1nnc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000039964446 569812646 /nfs/dbraw/zinc/81/26/46/569812646.db2.gz YOLWGIPJZDOEBJ-LJQANCHMSA-N 1 1 457.003 4.882 50 0 JJAAMO CC[C@@H](c1nnc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000039964445 569812661 /nfs/dbraw/zinc/81/26/61/569812661.db2.gz YOLWGIPJZDOEBJ-IBGZPJMESA-N 1 1 457.003 4.882 50 0 JJAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4ccccc4)nc4onc(C)c43)CC2)cc1 ZINC000040039605 569814613 /nfs/dbraw/zinc/81/46/13/569814613.db2.gz ZXHJLOVEGZPHCQ-UHFFFAOYSA-N 1 1 456.546 4.555 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCC[C@](O)(c3nccn3C)C(F)(F)F)c2c1C ZINC000040105309 569816153 /nfs/dbraw/zinc/81/61/53/569816153.db2.gz OBFDQKYUKDFDHI-QFIPXVFZSA-N 1 1 496.603 4.526 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@@H](C)c3ccc(NS(C)(=O)=O)cc3)c2c1C ZINC000040149314 569818881 /nfs/dbraw/zinc/81/88/81/569818881.db2.gz NPHZJGNYNZAAFD-INIZCTEOSA-N 1 1 473.668 4.839 50 0 JJAAMO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000040151762 569820005 /nfs/dbraw/zinc/82/00/05/569820005.db2.gz QQIHAIBDEKEBKE-CYBMUJFWSA-N 1 1 487.772 4.929 50 0 JJAAMO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000040151761 569820064 /nfs/dbraw/zinc/82/00/64/569820064.db2.gz QQIHAIBDEKEBKE-ZDUSSCGKSA-N 1 1 487.772 4.929 50 0 JJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051870 569832380 /nfs/dbraw/zinc/83/23/80/569832380.db2.gz BBZWDXMILZKJAN-KCWXNJEJSA-N 1 1 458.602 4.859 50 0 JJAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051870 569832381 /nfs/dbraw/zinc/83/23/81/569832381.db2.gz BBZWDXMILZKJAN-KCWXNJEJSA-N 1 1 458.602 4.859 50 0 JJAAMO S=c1[nH]c(-c2cccs2)nn1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000048300563 569845493 /nfs/dbraw/zinc/84/54/93/569845493.db2.gz FBABOPGMQWVTMU-UHFFFAOYSA-N 1 1 451.415 4.685 50 0 JJAAMO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000104916518 569846922 /nfs/dbraw/zinc/84/69/22/569846922.db2.gz REIKCLCKTQUTHI-IRLDBZIGSA-N 1 1 463.931 4.501 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(OCC)cc3)[C@H](C)C(C)C)n2)C1 ZINC000104960449 569847840 /nfs/dbraw/zinc/84/78/40/569847840.db2.gz VDSDWQAENIKMIG-IRLDBZIGSA-N 1 1 485.625 4.535 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(OCC)cc3)[C@H](C)C(C)C)n2)C1 ZINC000104960449 569847841 /nfs/dbraw/zinc/84/78/41/569847841.db2.gz VDSDWQAENIKMIG-IRLDBZIGSA-N 1 1 485.625 4.535 50 0 JJAAMO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104982962 569848058 /nfs/dbraw/zinc/84/80/58/569848058.db2.gz CXRMFFBPHLGXKU-BJKOFHAPSA-N 1 1 454.492 4.703 50 0 JJAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104982962 569848059 /nfs/dbraw/zinc/84/80/59/569848059.db2.gz CXRMFFBPHLGXKU-BJKOFHAPSA-N 1 1 454.492 4.703 50 0 JJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983963 569848440 /nfs/dbraw/zinc/84/84/40/569848440.db2.gz CNPGBJQSGNXOQF-CLJLJLNGSA-N 1 1 466.528 4.538 50 0 JJAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000105002752 569849199 /nfs/dbraw/zinc/84/91/99/569849199.db2.gz QJWASZDUTMMKQO-IGKIAQTJSA-N 1 1 492.685 4.875 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105003613 569849368 /nfs/dbraw/zinc/84/93/68/569849368.db2.gz JFDGWYCSRWECLC-NFBKMPQASA-N 1 1 467.610 4.980 50 0 JJAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000105003929 569849530 /nfs/dbraw/zinc/84/95/30/569849530.db2.gz KSMMBAGXRONPML-IGKIAQTJSA-N 1 1 492.685 4.875 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000105009265 569850495 /nfs/dbraw/zinc/85/04/95/569850495.db2.gz PXXOSACPAXYLMW-NFBKMPQASA-N 1 1 467.610 4.980 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009971 569850581 /nfs/dbraw/zinc/85/05/81/569850581.db2.gz HKABROCCWZPKHB-CJFMBICVSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009971 569850582 /nfs/dbraw/zinc/85/05/82/569850582.db2.gz HKABROCCWZPKHB-CJFMBICVSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009987 569850647 /nfs/dbraw/zinc/85/06/47/569850647.db2.gz ONHBUFLKENXNKR-CJFMBICVSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2Cl)C1 ZINC000105009987 569850649 /nfs/dbraw/zinc/85/06/49/569850649.db2.gz ONHBUFLKENXNKR-CJFMBICVSA-N 1 1 482.024 4.910 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000105060135 569852636 /nfs/dbraw/zinc/85/26/36/569852636.db2.gz LPEJPJMUSSTXMG-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000105060135 569852637 /nfs/dbraw/zinc/85/26/37/569852637.db2.gz LPEJPJMUSSTXMG-DWACAAAGSA-N 1 1 487.669 4.686 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000106021767 569853786 /nfs/dbraw/zinc/85/37/86/569853786.db2.gz GMFSZWFKYGVOPH-VHOQWXFLSA-N 1 1 486.955 4.977 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677633 569868768 /nfs/dbraw/zinc/86/87/68/569868768.db2.gz ZUOSWMRSYAMCFH-AHKZPQOWSA-N 1 1 494.010 4.667 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000169679603 569869851 /nfs/dbraw/zinc/86/98/51/569869851.db2.gz PXXOSACPAXYLMW-NZQKXSOJSA-N 1 1 467.610 4.980 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000169680021 569870107 /nfs/dbraw/zinc/87/01/07/569870107.db2.gz FCKDKTSDIJJAAV-KDYSTLNUSA-N 1 1 479.690 4.644 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@@H](C)C1 ZINC000169680021 569870108 /nfs/dbraw/zinc/87/01/08/569870108.db2.gz FCKDKTSDIJJAAV-KDYSTLNUSA-N 1 1 479.690 4.644 50 0 JJAAMO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613445 569872913 /nfs/dbraw/zinc/87/29/13/569872913.db2.gz PWZZUQJEROFAAU-RDPSFJRHSA-N 1 1 480.992 4.873 50 0 JJAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229708585 570041141 /nfs/dbraw/zinc/04/11/41/570041141.db2.gz MXEARARUYSRHEG-UONOGXRCSA-N 1 1 451.880 4.608 50 0 JJAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229708585 570041142 /nfs/dbraw/zinc/04/11/42/570041142.db2.gz MXEARARUYSRHEG-UONOGXRCSA-N 1 1 451.880 4.608 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000230129867 570045508 /nfs/dbraw/zinc/04/55/08/570045508.db2.gz QJGVQPAASSNLOY-IGKIAQTJSA-N 1 1 494.010 4.667 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000230138058 570045965 /nfs/dbraw/zinc/04/59/65/570045965.db2.gz BJBXHKUAPONEOC-AHWVRZQESA-N 1 1 496.076 4.632 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000242339377 570053772 /nfs/dbraw/zinc/05/37/72/570053772.db2.gz ZHHVOGJJXRUJMB-KXBFYZLASA-N 1 1 450.457 4.911 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000242339377 570053773 /nfs/dbraw/zinc/05/37/73/570053773.db2.gz ZHHVOGJJXRUJMB-KXBFYZLASA-N 1 1 450.457 4.911 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245280458 570061842 /nfs/dbraw/zinc/06/18/42/570061842.db2.gz RKFUDVIFDIWMRZ-ZEQKJWHPSA-N 1 1 480.992 4.784 50 0 JJAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245281372 570062281 /nfs/dbraw/zinc/06/22/81/570062281.db2.gz XWOOFBOABZCMQQ-AOYPEHQESA-N 1 1 493.648 4.955 50 0 JJAAMO CC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000245326085 570064426 /nfs/dbraw/zinc/06/44/26/570064426.db2.gz DBNWJYYACMNNQO-JXHRLWIKSA-N 1 1 462.631 4.511 50 0 JJAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000245326019 570064485 /nfs/dbraw/zinc/06/44/85/570064485.db2.gz CUNNTYHKLGTTOF-QTGUNEKASA-N 1 1 458.668 4.599 50 0 JJAAMO CCC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327490 570065277 /nfs/dbraw/zinc/06/52/77/570065277.db2.gz JQUYVJWCCSVASF-ZJSXRUAMSA-N 1 1 476.658 4.901 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245329224 570066133 /nfs/dbraw/zinc/06/61/33/570066133.db2.gz RNSDBVZTVJTLIY-AZGAKELHSA-N 1 1 479.621 4.660 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245329224 570066135 /nfs/dbraw/zinc/06/61/35/570066135.db2.gz RNSDBVZTVJTLIY-AZGAKELHSA-N 1 1 479.621 4.660 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000245330402 570066723 /nfs/dbraw/zinc/06/67/23/570066723.db2.gz YDPVSVGGKWZDAA-IURLTMSJSA-N 1 1 499.680 4.559 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000245330402 570066725 /nfs/dbraw/zinc/06/67/25/570066725.db2.gz YDPVSVGGKWZDAA-IURLTMSJSA-N 1 1 499.680 4.559 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245330632 570066927 /nfs/dbraw/zinc/06/69/27/570066927.db2.gz ZRYXUPBHWZCFBY-QFQXNSOFSA-N 1 1 467.679 4.583 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245330632 570066928 /nfs/dbraw/zinc/06/69/28/570066928.db2.gz ZRYXUPBHWZCFBY-QFQXNSOFSA-N 1 1 467.679 4.583 50 0 JJAAMO O=C(Nc1ccncc1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247509834 570068277 /nfs/dbraw/zinc/06/82/77/570068277.db2.gz SPLYALLIHQAKPZ-UHFFFAOYSA-N 1 1 459.981 4.984 50 0 JJAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247853190 570070046 /nfs/dbraw/zinc/07/00/46/570070046.db2.gz JKMOOPZFMCSURT-HSZRJFAPSA-N 1 1 497.618 4.725 50 0 JJAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)CC2)cc1 ZINC000247907110 570071004 /nfs/dbraw/zinc/07/10/04/570071004.db2.gz SSRJASAMVCUMGO-UHFFFAOYSA-N 1 1 498.627 4.630 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccccc4)CC3)nc3ccccc32)cc1 ZINC000247915189 570071192 /nfs/dbraw/zinc/07/11/92/570071192.db2.gz VWKRIXNCGHQXCE-UHFFFAOYSA-N 1 1 482.628 4.664 50 0 JJAAMO CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1)C(C)C ZINC000247980978 570072108 /nfs/dbraw/zinc/07/21/08/570072108.db2.gz HCYGREGGEBTPGV-QHCPKHFHSA-N 1 1 462.638 4.952 50 0 JJAAMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248012717 570072757 /nfs/dbraw/zinc/07/27/57/570072757.db2.gz RVQWCARPDQPFEX-KRWDZBQOSA-N 1 1 455.400 4.526 50 0 JJAAMO CCCCCC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248084124 570073802 /nfs/dbraw/zinc/07/38/02/570073802.db2.gz KHSPAIOCCREAAE-HFZDXXHNSA-N 1 1 467.679 4.644 50 0 JJAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)cn1 ZINC000252448881 570080974 /nfs/dbraw/zinc/08/09/74/570080974.db2.gz JREHEUIYLUCZQT-FCHUYYIVSA-N 1 1 479.650 4.630 50 0 JJAAMO Cc1cccc(C)c1C(=O)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000252479515 570081611 /nfs/dbraw/zinc/08/16/11/570081611.db2.gz BGSPERHCKSIBGK-UHFFFAOYSA-N 1 1 480.962 4.797 50 0 JJAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000253413735 570098413 /nfs/dbraw/zinc/09/84/13/570098413.db2.gz VOFIVJDPXKUISD-SQJMNOBHSA-N 1 1 460.574 4.562 50 0 JJAAMO COC(=O)c1sc2nc(C[N@@H+](C)CCc3ccc(OC)c(OC)c3)ccc2c1NC(=O)C1CCC1 ZINC000299763856 570174923 /nfs/dbraw/zinc/17/49/23/570174923.db2.gz FQWFZLNGRQCBPX-UHFFFAOYSA-N 1 1 497.617 4.513 50 0 JJAAMO CC(C)CCN[C@@H]1c2ccccc2C(=O)N1CCN1C(=O)c2ccccc2[C@H]1[NH2+]CCC(C)C ZINC000334163403 570185075 /nfs/dbraw/zinc/18/50/75/570185075.db2.gz QXMSITAMKTZLJV-UIOOFZCWSA-N 1 1 462.638 4.567 50 0 JJAAMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960539 194181758 /nfs/dbraw/zinc/18/17/58/194181758.db2.gz WRTZHXIUZVHXAP-QFIPXVFZSA-N 1 1 474.008 4.845 50 0 JJAAMO Cc1nc2c(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)cnn2c(C)c1Cc1ccccc1 ZINC000003041153 194215424 /nfs/dbraw/zinc/21/54/24/194215424.db2.gz HEAMJDFSOROMEL-UHFFFAOYSA-N 1 1 469.633 4.967 50 0 JJAAMO COc1ccc(C[N@H+](C)CC(=O)Nc2c(Br)cc(C)cc2Br)cc1 ZINC000003334770 194287540 /nfs/dbraw/zinc/28/75/40/194287540.db2.gz NNHFGTWDDHQLSO-UHFFFAOYSA-N 1 1 456.178 4.599 50 0 JJAAMO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(Br)cc(C)cc2Br)cc1 ZINC000003334770 194287542 /nfs/dbraw/zinc/28/75/42/194287542.db2.gz NNHFGTWDDHQLSO-UHFFFAOYSA-N 1 1 456.178 4.599 50 0 JJAAMO O[C@H](C[NH2+][C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)COCc1ccccc1Cl ZINC000003384470 194310183 /nfs/dbraw/zinc/31/01/83/194310183.db2.gz XXQWZBFUXUOENV-ISKFKSNPSA-N 1 1 463.965 4.841 50 0 JJAAMO O[C@@H](C[NH2+][C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)COCc1ccccc1Cl ZINC000003384462 194310243 /nfs/dbraw/zinc/31/02/43/194310243.db2.gz XXQWZBFUXUOENV-LADGPHEKSA-N 1 1 463.965 4.841 50 0 JJAAMO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCC[N@@H+](C)CC3)c2c1C ZINC000003414766 194316824 /nfs/dbraw/zinc/31/68/24/194316824.db2.gz LBSYHUVNEMBASV-UHFFFAOYSA-N 1 1 456.637 4.611 50 0 JJAAMO CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1C ZINC000003432050 194322650 /nfs/dbraw/zinc/32/26/50/194322650.db2.gz YZBSFPPQGRTSGU-XMMPIXPASA-N 1 1 495.645 4.760 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](c3ccc(F)cc3)N3CCOCC3)c2c1C ZINC000003433743 194323462 /nfs/dbraw/zinc/32/34/62/194323462.db2.gz PVOAEWVWEGXMHH-OAQYLSRUSA-N 1 1 469.630 4.528 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670341 194357968 /nfs/dbraw/zinc/35/79/68/194357968.db2.gz JAPLKVOECNCFET-UPCLLVRISA-N 1 1 491.419 4.571 50 0 JJAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(I)cc1 ZINC000012619156 195056140 /nfs/dbraw/zinc/05/61/40/195056140.db2.gz XFVAKPKVOMRRED-UHFFFAOYSA-N 1 1 456.327 4.932 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000012768362 195115681 /nfs/dbraw/zinc/11/56/81/195115681.db2.gz PHVOSCWEVLKJHC-QGZVFWFLSA-N 1 1 461.031 4.735 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780629 195124445 /nfs/dbraw/zinc/12/44/45/195124445.db2.gz SZMUTNWZRZEBHI-HUUCEWRRSA-N 1 1 451.901 4.619 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780629 195124448 /nfs/dbraw/zinc/12/44/48/195124448.db2.gz SZMUTNWZRZEBHI-HUUCEWRRSA-N 1 1 451.901 4.619 50 0 JJAAMO O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000012786494 195128535 /nfs/dbraw/zinc/12/85/35/195128535.db2.gz KLZAMBUXOXYFHH-IBGZPJMESA-N 1 1 497.426 4.743 50 0 JJAAMO COC(=O)C1CC[NH+](CC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012812782 195145229 /nfs/dbraw/zinc/14/52/29/195145229.db2.gz GEBCATPIIDTSAF-UHFFFAOYSA-N 1 1 459.030 4.522 50 0 JJAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012881568 195168664 /nfs/dbraw/zinc/16/86/64/195168664.db2.gz QSQZHJMZJQRDMC-IBGZPJMESA-N 1 1 492.357 4.537 50 0 JJAAMO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012881568 195168667 /nfs/dbraw/zinc/16/86/67/195168667.db2.gz QSQZHJMZJQRDMC-IBGZPJMESA-N 1 1 492.357 4.537 50 0 JJAAMO COc1cc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc(OC)c1Br ZINC000012883593 195169797 /nfs/dbraw/zinc/16/97/97/195169797.db2.gz DPHQUTCUDHQEIH-CHWSQXEVSA-N 1 1 468.417 4.653 50 0 JJAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)c(C)c2O)cc1 ZINC000020622599 195190450 /nfs/dbraw/zinc/19/04/50/195190450.db2.gz HCOBYYDUGAQKTF-IAGOWNOFSA-N 1 1 451.567 4.563 50 0 JJAAMO C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCC[N@H+]1CCc2ccccc2C1 ZINC000020902861 195242260 /nfs/dbraw/zinc/24/22/60/195242260.db2.gz UJBQSKCMONZCDY-HKBQPEDESA-N 1 1 498.671 4.753 50 0 JJAAMO CCCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000020924249 195248844 /nfs/dbraw/zinc/24/88/44/195248844.db2.gz ACVOXLHUUQCHDI-UHFFFAOYSA-N 1 1 499.652 4.532 50 0 JJAAMO COc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000021169358 195289114 /nfs/dbraw/zinc/28/91/14/195289114.db2.gz WPPRCLLWSQWXMJ-RRPNLBNLSA-N 1 1 451.994 4.895 50 0 JJAAMO Cc1nc(-c2cccc(NC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)no1 ZINC000021353947 195297007 /nfs/dbraw/zinc/29/70/07/195297007.db2.gz GQUMOWWTPRXLHN-UHFFFAOYSA-N 1 1 453.546 4.984 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526689 195305172 /nfs/dbraw/zinc/30/51/72/195305172.db2.gz GANQGTIVFYPHNC-HRFSGMKKSA-N 1 1 468.642 4.552 50 0 JJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000021794873 195322047 /nfs/dbraw/zinc/32/20/47/195322047.db2.gz DFCMSCUDJWPDDA-UHFFFAOYSA-N 1 1 457.987 4.973 50 0 JJAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021808720 195323962 /nfs/dbraw/zinc/32/39/62/195323962.db2.gz UDAJGGZRKRZXAE-XDFJUBBVSA-N 1 1 498.737 4.980 50 0 JJAAMO Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000058065297 195363968 /nfs/dbraw/zinc/36/39/68/195363968.db2.gz VOEQWGXEEQJZSA-SFHVURJKSA-N 1 1 464.616 4.889 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CC(C)C)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545218 129907066 /nfs/dbraw/zinc/90/70/66/129907066.db2.gz PWHJUFGYPQVJDH-UHFFFAOYSA-N 1 1 464.585 4.591 50 0 JJAAMO CC(C)[N@@H+](CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1)C1CCCCC1 ZINC000064942938 519644224 /nfs/dbraw/zinc/64/42/24/519644224.db2.gz RWBYQSOGWBSRIO-UHFFFAOYSA-N 1 1 465.063 4.949 50 0 JJAAMO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)C1=O ZINC000014741584 519667859 /nfs/dbraw/zinc/66/78/59/519667859.db2.gz GYUKBKLRMJPFPP-UHFFFAOYSA-N 1 1 462.619 4.546 50 0 JJAAMO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014744339 519719392 /nfs/dbraw/zinc/71/93/92/519719392.db2.gz RHCKQXUTMGHRJU-UHFFFAOYSA-N 1 1 489.645 4.660 50 0 JJAAMO CC(=O)Nc1nc2c(cccc2Oc2cc(N3CC[NH+]([C@H](C)c4ccc(F)cc4)CC3)ncn2)s1 ZINC000014974185 519753188 /nfs/dbraw/zinc/75/31/88/519753188.db2.gz QUHZTEMPQQZPNB-MRXNPFEDSA-N 1 1 492.580 4.859 50 0 in-vivo JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308304 519755851 /nfs/dbraw/zinc/75/58/51/519755851.db2.gz ZVMZHNFDDRTYME-AHWVRZQESA-N 1 1 493.648 4.894 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146144 519757774 /nfs/dbraw/zinc/75/77/74/519757774.db2.gz UPZRZSCKZXRLSC-PKTZIBPZSA-N 1 1 482.518 4.873 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307728 519881346 /nfs/dbraw/zinc/88/13/46/519881346.db2.gz HKQQXNUHUKYEOK-JOCHJYFZSA-N 1 1 483.584 4.935 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146006 519881434 /nfs/dbraw/zinc/88/14/34/519881434.db2.gz BIGGIJGOPQQQFP-YADHBBJMSA-N 1 1 479.404 4.693 50 0 JJAAMO CC(C)c1nnc(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)n1-c1cccc(Cl)c1 ZINC000085424835 519891357 /nfs/dbraw/zinc/89/13/57/519891357.db2.gz FBGORXLTTXBTMR-UHFFFAOYSA-N 1 1 470.042 4.724 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301972 520090803 /nfs/dbraw/zinc/09/08/03/520090803.db2.gz ODIPTOUHFCKALL-QFIPXVFZSA-N 1 1 491.991 4.611 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301972 520090813 /nfs/dbraw/zinc/09/08/13/520090813.db2.gz ODIPTOUHFCKALL-QFIPXVFZSA-N 1 1 491.991 4.611 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302865 520095867 /nfs/dbraw/zinc/09/58/67/520095867.db2.gz QXXMTRLFEDSGNL-QHCPKHFHSA-N 1 1 479.621 4.845 50 0 JJAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301968 520151270 /nfs/dbraw/zinc/15/12/70/520151270.db2.gz ODIPTOUHFCKALL-JOCHJYFZSA-N 1 1 491.991 4.611 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301968 520151276 /nfs/dbraw/zinc/15/12/76/520151276.db2.gz ODIPTOUHFCKALL-JOCHJYFZSA-N 1 1 491.991 4.611 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302046 520154635 /nfs/dbraw/zinc/15/46/35/520154635.db2.gz OKJGWVSKWKNPKX-JOCHJYFZSA-N 1 1 453.583 4.589 50 0 JJAAMO CCCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)C[C@@](C)(CC)OC3 ZINC000020389547 520568079 /nfs/dbraw/zinc/56/80/79/520568079.db2.gz BEGBYQPKEMIODI-JOCHJYFZSA-N 1 1 450.674 4.569 50 0 JJAAMO CCOc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000033069215 521056106 /nfs/dbraw/zinc/05/61/06/521056106.db2.gz MXDVUXSYNMCQGL-UHFFFAOYSA-N 1 1 466.969 4.982 50 0 JJAAMO CCOc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000033069215 521056119 /nfs/dbraw/zinc/05/61/19/521056119.db2.gz MXDVUXSYNMCQGL-UHFFFAOYSA-N 1 1 466.969 4.982 50 0 JJAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456316 521882239 /nfs/dbraw/zinc/88/22/39/521882239.db2.gz PQLPILYVWDEVFC-UHFFFAOYSA-N 1 1 492.623 4.978 50 0 JJAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(C)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456316 521882251 /nfs/dbraw/zinc/88/22/51/521882251.db2.gz PQLPILYVWDEVFC-UHFFFAOYSA-N 1 1 492.623 4.978 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036303202 522640299 /nfs/dbraw/zinc/64/02/99/522640299.db2.gz GHNDOHKXWBINDR-XMMPIXPASA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036303202 522640308 /nfs/dbraw/zinc/64/03/08/522640308.db2.gz GHNDOHKXWBINDR-XMMPIXPASA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303098 522641591 /nfs/dbraw/zinc/64/15/91/522641591.db2.gz MSQHKNVQGHBLTL-QFIPXVFZSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303098 522641599 /nfs/dbraw/zinc/64/15/99/522641599.db2.gz MSQHKNVQGHBLTL-QFIPXVFZSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036303112 522642948 /nfs/dbraw/zinc/64/29/48/522642948.db2.gz HZXHSJYRVAZVOU-HSZRJFAPSA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036303112 522642957 /nfs/dbraw/zinc/64/29/57/522642957.db2.gz HZXHSJYRVAZVOU-HSZRJFAPSA-N 1 1 499.627 4.848 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)C1CCCCC1 ZINC000021864194 522744690 /nfs/dbraw/zinc/74/46/90/522744690.db2.gz BCGJPMQDBQEONH-MUUNZHRXSA-N 1 1 480.653 4.676 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370987 523105541 /nfs/dbraw/zinc/10/55/41/523105541.db2.gz NFAWVCDHKYVBKD-DYESRHJHSA-N 1 1 488.510 4.845 50 0 JJAAMO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O ZINC000022697278 523140953 /nfs/dbraw/zinc/14/09/53/523140953.db2.gz WHWUCVZHONMQDM-VWLOTQADSA-N 1 1 467.610 4.655 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461446 523167030 /nfs/dbraw/zinc/16/70/30/523167030.db2.gz UZYXYRPASISCEP-JOCHJYFZSA-N 1 1 467.683 4.615 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811098 523168650 /nfs/dbraw/zinc/16/86/50/523168650.db2.gz PZKXVMUUWQJJGR-OYIKJCJDSA-N 1 1 482.669 4.798 50 0 JJAAMO C[N@@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCOC(C)(C)C2)c1)Cc1cccc2cccnc21 ZINC000014975963 523317746 /nfs/dbraw/zinc/31/77/46/523317746.db2.gz SDYQUDGZJARTDS-HSZRJFAPSA-N 1 1 461.606 4.567 50 0 JJAAMO COc1ccc(-n2ncc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(Cl)c2=O)cc1 ZINC000020365520 523350821 /nfs/dbraw/zinc/35/08/21/523350821.db2.gz WTZLHLGYVQWEFD-UHFFFAOYSA-N 1 1 487.003 4.806 50 0 JJAAMO COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014751453 523363091 /nfs/dbraw/zinc/36/30/91/523363091.db2.gz AKMGEBGGCLVENB-WUFINQPMSA-N 1 1 499.655 4.558 50 0 JJAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cc3ncccn3n2)cc1 ZINC000012279621 523448016 /nfs/dbraw/zinc/44/80/16/523448016.db2.gz HNKFHUHXOFICNZ-JOCHJYFZSA-N 1 1 489.645 4.887 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036305758 523734755 /nfs/dbraw/zinc/73/47/55/523734755.db2.gz IVHVOVONTCXTFE-JOCHJYFZSA-N 1 1 497.636 4.512 50 0 JJAAMO CCc1cc([C@H](c2ccc(OC)cc2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546475 523843620 /nfs/dbraw/zinc/84/36/20/523843620.db2.gz QARYMKCJDGIPHO-QHCPKHFHSA-N 1 1 469.607 4.510 50 0 JJAAMO COc1ccc(CCC(=O)NCC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1OC ZINC000020452764 523922021 /nfs/dbraw/zinc/92/20/21/523922021.db2.gz CPQURHRPCJQQDV-MHZLTWQESA-N 1 1 478.564 4.528 50 0 JJAAMO COc1ccc(CCC(=O)NCC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1OC ZINC000020452764 523922031 /nfs/dbraw/zinc/92/20/31/523922031.db2.gz CPQURHRPCJQQDV-MHZLTWQESA-N 1 1 478.564 4.528 50 0 JJAAMO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([N@H+]2CCc3ccccc3C2)C4)cc1 ZINC000014994168 523987829 /nfs/dbraw/zinc/98/78/29/523987829.db2.gz KROPBPDWETUOSO-QFIPXVFZSA-N 1 1 471.626 4.625 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CCC(C)C)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206596 524277570 /nfs/dbraw/zinc/27/75/70/524277570.db2.gz STRAEFFOTMSJMT-IBGZPJMESA-N 1 1 487.666 4.542 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CCC(C)C)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206596 524277579 /nfs/dbraw/zinc/27/75/79/524277579.db2.gz STRAEFFOTMSJMT-IBGZPJMESA-N 1 1 487.666 4.542 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccs2)CC3)c1 ZINC000014993678 524369483 /nfs/dbraw/zinc/36/94/83/524369483.db2.gz GKIOWWZDPMAAFM-JOCHJYFZSA-N 1 1 451.640 4.532 50 0 JJAAMO COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000033050648 524511837 /nfs/dbraw/zinc/51/18/37/524511837.db2.gz BUSSWJUSZHNTJR-UHFFFAOYSA-N 1 1 462.575 4.844 50 0 JJAAMO Cc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456577 524608060 /nfs/dbraw/zinc/60/80/60/524608060.db2.gz JPXFWNUHLWAZAH-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456577 524608073 /nfs/dbraw/zinc/60/80/73/524608073.db2.gz JPXFWNUHLWAZAH-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccc(CNc2ncnc3sc(C(=O)N[C@@H]4CC[N@@H+](Cc5ccccc5)C4)c(C)c32)o1 ZINC000012218052 524621838 /nfs/dbraw/zinc/62/18/38/524621838.db2.gz UAXSGEIMBCDJLI-LJQANCHMSA-N 1 1 461.591 4.518 50 0 JJAAMO Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4ccsc4)c3)CC2)cc1 ZINC000014886002 525522934 /nfs/dbraw/zinc/52/29/34/525522934.db2.gz VCPWNTFMXCDOGU-UHFFFAOYSA-N 1 1 470.660 4.921 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cc(F)ccc2C)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456347 525821600 /nfs/dbraw/zinc/82/16/00/525821600.db2.gz IYMZDPOVMVZJLY-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cc(F)ccc2C)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456347 525821613 /nfs/dbraw/zinc/82/16/13/525821613.db2.gz IYMZDPOVMVZJLY-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000033139731 525827270 /nfs/dbraw/zinc/82/72/70/525827270.db2.gz GEFWOVHHQYFDGI-UHFFFAOYSA-N 1 1 454.578 4.565 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000033139728 525827742 /nfs/dbraw/zinc/82/77/42/525827742.db2.gz VGYWXUPDUIGUCR-UHFFFAOYSA-N 1 1 468.605 4.873 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000033139727 525828263 /nfs/dbraw/zinc/82/82/63/525828263.db2.gz VQCNMRAQKQDJCR-UHFFFAOYSA-N 1 1 468.605 4.873 50 0 JJAAMO Cc1ccc(C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2C[NH+]2CCCCC2)cc1 ZINC000005978647 526237884 /nfs/dbraw/zinc/23/78/84/526237884.db2.gz NDKAUZRJEQJDDE-UHFFFAOYSA-N 1 1 489.597 4.761 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305615 526241317 /nfs/dbraw/zinc/24/13/17/526241317.db2.gz JOMOONWWQWXPIR-QHCPKHFHSA-N 1 1 479.621 4.886 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864606 526248534 /nfs/dbraw/zinc/24/85/34/526248534.db2.gz JFHDDFHUZBUMGE-KMRXNPHXSA-N 1 1 480.653 4.676 50 0 JJAAMO Cc1ccc2nc(N3CCC(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)CC3)[nH]c2c1 ZINC000033070847 526251674 /nfs/dbraw/zinc/25/16/74/526251674.db2.gz JEORXBCNDXZNGG-UHFFFAOYSA-N 1 1 480.056 4.770 50 0 JJAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COCC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206517 526256105 /nfs/dbraw/zinc/25/61/05/526256105.db2.gz SLUSDJXHJFBXBT-IBGZPJMESA-N 1 1 457.640 4.512 50 0 JJAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C[C@H](O)COCC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206517 526256109 /nfs/dbraw/zinc/25/61/09/526256109.db2.gz SLUSDJXHJFBXBT-IBGZPJMESA-N 1 1 457.640 4.512 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146395 526285940 /nfs/dbraw/zinc/28/59/40/526285940.db2.gz CNPGBJQSGNXOQF-UIOOFZCWSA-N 1 1 466.528 4.538 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146530 526287436 /nfs/dbraw/zinc/28/74/36/526287436.db2.gz AGJKXWSYWWOTJH-UPVQGACJSA-N 1 1 454.954 4.506 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156226 526287806 /nfs/dbraw/zinc/28/78/06/526287806.db2.gz JQXUTGBBRRLXNH-QFIPXVFZSA-N 1 1 477.561 4.708 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156226 526287811 /nfs/dbraw/zinc/28/78/11/526287811.db2.gz JQXUTGBBRRLXNH-QFIPXVFZSA-N 1 1 477.561 4.708 50 0 JJAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000033267193 526314549 /nfs/dbraw/zinc/31/45/49/526314549.db2.gz AMYGBXABKMDKAB-UHFFFAOYSA-N 1 1 471.992 4.502 50 0 JJAAMO Cc1csc(C[N@H+](C)[C@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)n1 ZINC000014990484 526341072 /nfs/dbraw/zinc/34/10/72/526341072.db2.gz UYJPPGSIPUQJLA-SFHVURJKSA-N 1 1 468.623 4.594 50 0 JJAAMO Cc1csc(C[N@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)n1 ZINC000014990482 526342558 /nfs/dbraw/zinc/34/25/58/526342558.db2.gz UYJPPGSIPUQJLA-GOSISDBHSA-N 1 1 468.623 4.594 50 0 JJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccc(O)c1 ZINC000014964282 526417698 /nfs/dbraw/zinc/41/76/98/526417698.db2.gz GYHSTQISFXVSKC-RPBOFIJWSA-N 1 1 468.569 4.765 50 0 JJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccc(O)c1 ZINC000014964282 526417708 /nfs/dbraw/zinc/41/77/08/526417708.db2.gz GYHSTQISFXVSKC-RPBOFIJWSA-N 1 1 468.569 4.765 50 0 JJAAMO O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021786165 526590183 /nfs/dbraw/zinc/59/01/83/526590183.db2.gz WWMPEKTZJICRBC-UHFFFAOYSA-N 1 1 481.552 4.660 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1ccccc1Cl ZINC000033069240 526649623 /nfs/dbraw/zinc/64/96/23/526649623.db2.gz DTPZALSKPRQTFM-UHFFFAOYSA-N 1 1 471.388 4.915 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1ccccc1Cl ZINC000033069240 526649631 /nfs/dbraw/zinc/64/96/31/526649631.db2.gz DTPZALSKPRQTFM-UHFFFAOYSA-N 1 1 471.388 4.915 50 0 JJAAMO O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033061787 526664210 /nfs/dbraw/zinc/66/42/10/526664210.db2.gz UNHIFXIQDWLVEC-UHFFFAOYSA-N 1 1 483.597 4.878 50 0 JJAAMO O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033061787 526664219 /nfs/dbraw/zinc/66/42/19/526664219.db2.gz UNHIFXIQDWLVEC-UHFFFAOYSA-N 1 1 483.597 4.878 50 0 JJAAMO O=C(C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309647 526698065 /nfs/dbraw/zinc/69/80/65/526698065.db2.gz JWRVLCRQHWDRQV-IZZNHLLZSA-N 1 1 494.632 4.838 50 0 JJAAMO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000012326519 526823882 /nfs/dbraw/zinc/82/38/82/526823882.db2.gz SGAXLGXOQSTITL-RPLLCQBOSA-N 1 1 462.615 4.656 50 0 JJAAMO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000012326519 526823888 /nfs/dbraw/zinc/82/38/88/526823888.db2.gz SGAXLGXOQSTITL-RPLLCQBOSA-N 1 1 462.615 4.656 50 0 JJAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+]([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036310863 527340795 /nfs/dbraw/zinc/34/07/95/527340795.db2.gz SYIMUPSHUBOQHP-VWLOTQADSA-N 1 1 481.040 4.633 50 0 JJAAMO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000008602174 527347986 /nfs/dbraw/zinc/34/79/86/527347986.db2.gz HIJUBEMCQNYPQZ-UHFFFAOYSA-N 1 1 476.621 4.837 50 0 JJAAMO O=C(NCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1sc2ncccc2c1-n1cccc1 ZINC000033267648 527657263 /nfs/dbraw/zinc/65/72/63/527657263.db2.gz OTMUACOTMVJKAK-IBGZPJMESA-N 1 1 480.659 4.950 50 0 JJAAMO O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000008616590 527659420 /nfs/dbraw/zinc/65/94/20/527659420.db2.gz OKZSJXYQJTVLKR-QGZVFWFLSA-N 1 1 496.858 4.664 50 0 JJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)c1 ZINC000000635822 553721078 /nfs/dbraw/zinc/72/10/78/553721078.db2.gz SRMFKPUFIGVFKI-FTJBHMTQSA-N 1 1 468.513 4.517 50 0 JJAAMO CCOc1ccc(-c2nc3ccc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000002047214 554009889 /nfs/dbraw/zinc/00/98/89/554009889.db2.gz PRDFBSVERLRRMY-UHFFFAOYSA-N 1 1 452.562 4.924 50 0 investigational JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000002201998 554091277 /nfs/dbraw/zinc/09/12/77/554091277.db2.gz MWPDSDDFEAWXEZ-SXOMAYOGSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002249549 554113850 /nfs/dbraw/zinc/11/38/50/554113850.db2.gz LGEWCPPNDNDXHC-IZZNHLLZSA-N 1 1 468.513 4.517 50 0 JJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000002332211 554152046 /nfs/dbraw/zinc/15/20/46/554152046.db2.gz LBNJXETZOCSCOI-QHCPKHFHSA-N 1 1 477.586 4.516 50 0 JJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000002332211 554152047 /nfs/dbraw/zinc/15/20/47/554152047.db2.gz LBNJXETZOCSCOI-QHCPKHFHSA-N 1 1 477.586 4.516 50 0 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Cn1c2ccccc2nc1-n1ncc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c(Cl)c1=O ZINC000009130674 554930685 /nfs/dbraw/zinc/93/06/85/554930685.db2.gz DVEKWBRUYUJOMP-NRFANRHFSA-N 1 1 483.403 4.675 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215855 554983709 /nfs/dbraw/zinc/98/37/09/554983709.db2.gz FTTAMGFTVMVPRQ-ZPZUNKDASA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215855 554983711 /nfs/dbraw/zinc/98/37/11/554983711.db2.gz FTTAMGFTVMVPRQ-ZPZUNKDASA-N 1 1 458.986 4.664 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)CC1 ZINC000009265405 555041336 /nfs/dbraw/zinc/04/13/36/555041336.db2.gz MAGZNFBJVIPDQX-UHFFFAOYSA-N 1 1 477.605 4.577 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009292053 555067158 /nfs/dbraw/zinc/06/71/58/555067158.db2.gz VMOVLBLAUGUKCW-SXOMAYOGSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344868 555110346 /nfs/dbraw/zinc/11/03/46/555110346.db2.gz XNJLZUVTTLNRHS-AZGAKELHSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000009345795 555112210 /nfs/dbraw/zinc/11/22/10/555112210.db2.gz MTFYMHZOZXWHLO-RPBOFIJWSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000009451066 555223465 /nfs/dbraw/zinc/22/34/65/555223465.db2.gz QTQKHZHSSYTHPZ-QFIPXVFZSA-N 1 1 465.619 4.857 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000009451066 555223468 /nfs/dbraw/zinc/22/34/68/555223468.db2.gz QTQKHZHSSYTHPZ-QFIPXVFZSA-N 1 1 465.619 4.857 50 0 JJAAMO Cc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)sc3nc2c1 ZINC000009561510 555359683 /nfs/dbraw/zinc/35/96/83/555359683.db2.gz QUTOYGFXVRKLDF-UHFFFAOYSA-N 1 1 462.594 4.839 50 0 JJAAMO O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000013369094 555390727 /nfs/dbraw/zinc/39/07/27/555390727.db2.gz ILFFRQDWAUGGRH-UHFFFAOYSA-N 1 1 458.993 4.921 50 0 JJAAMO C[NH+](C)[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 ZINC000009671552 555391467 /nfs/dbraw/zinc/39/14/67/555391467.db2.gz PLKARSFBTKYMRD-NRFANRHFSA-N 1 1 492.428 4.827 50 0 JJAAMO COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCC[NH+]4CCOCC4)c(=N)c32)cc1 ZINC000009583983 555392291 /nfs/dbraw/zinc/39/22/91/555392291.db2.gz JBPQALCIRBDNKH-VWLOTQADSA-N 1 1 482.584 4.533 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674011 555398766 /nfs/dbraw/zinc/39/87/66/555398766.db2.gz GLKJWGXWJNOWMR-HXUWFJFHSA-N 1 1 462.638 4.993 50 0 JJAAMO O=c1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000009712246 555435992 /nfs/dbraw/zinc/43/59/92/555435992.db2.gz QFTGLEZTKKWJIA-HXUWFJFHSA-N 1 1 458.406 4.728 50 0 JJAAMO O=c1cc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000009712246 555435996 /nfs/dbraw/zinc/43/59/96/555435996.db2.gz QFTGLEZTKKWJIA-HXUWFJFHSA-N 1 1 458.406 4.728 50 0 JJAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000009731829 555468923 /nfs/dbraw/zinc/46/89/23/555468923.db2.gz PINVECCUNJYJJD-BGYRXZFFSA-N 1 1 487.088 5.000 50 0 JJAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000009731829 555468926 /nfs/dbraw/zinc/46/89/26/555468926.db2.gz PINVECCUNJYJJD-BGYRXZFFSA-N 1 1 487.088 5.000 50 0 JJAAMO O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013522573 555486379 /nfs/dbraw/zinc/48/63/79/555486379.db2.gz KIAPSZFTCFHPBU-UHFFFAOYSA-N 1 1 474.992 4.613 50 0 JJAAMO O=C(C[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000019892879 555531352 /nfs/dbraw/zinc/53/13/52/555531352.db2.gz OPPFZFOPQUUNEH-FQEVSTJZSA-N 1 1 479.580 4.858 50 0 JJAAMO COc1cc2nc(NCCC[N@H+]3CCCC[C@@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831151 555532838 /nfs/dbraw/zinc/53/28/38/555532838.db2.gz MEHXYFPTGJQQSG-SFHVURJKSA-N 1 1 460.582 4.638 50 0 JJAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(C(C)C)cc2)cc1OC ZINC000013691804 555586103 /nfs/dbraw/zinc/58/61/03/555586103.db2.gz PTCPIDAAVXNGGI-UHFFFAOYSA-N 1 1 471.667 4.749 50 0 JJAAMO COc1ccc(C[NH+]2CCN(c3nc(-c4cccs4)nc4ccccc43)CC2)c(OC)c1OC ZINC000014083141 555682086 /nfs/dbraw/zinc/68/20/86/555682086.db2.gz DUXXAARZUCUXIN-UHFFFAOYSA-N 1 1 476.602 4.706 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181208 555687918 /nfs/dbraw/zinc/68/79/18/555687918.db2.gz HXNVGLQVDKZJJA-CSGQPYJXSA-N 1 1 481.637 4.790 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214594 555710156 /nfs/dbraw/zinc/71/01/56/555710156.db2.gz HMIFGEBAMWSFOP-BKMJKUGQSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214594 555710159 /nfs/dbraw/zinc/71/01/59/555710159.db2.gz HMIFGEBAMWSFOP-BKMJKUGQSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214594 555710163 /nfs/dbraw/zinc/71/01/63/555710163.db2.gz HMIFGEBAMWSFOP-BKMJKUGQSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214594 555710166 /nfs/dbraw/zinc/71/01/66/555710166.db2.gz HMIFGEBAMWSFOP-BKMJKUGQSA-N 1 1 477.605 4.525 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000020233674 555724588 /nfs/dbraw/zinc/72/45/88/555724588.db2.gz VTRMGWCMUAFSQP-SFHVURJKSA-N 1 1 470.639 4.703 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000020289786 555761238 /nfs/dbraw/zinc/76/12/38/555761238.db2.gz SUHYOOVCVIUZCH-AFMDSPMNSA-N 1 1 467.610 4.507 50 0 JJAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011345009 555774377 /nfs/dbraw/zinc/77/43/77/555774377.db2.gz APAPGLQUIYFHBB-QFIPXVFZSA-N 1 1 498.627 4.809 50 0 JJAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011345009 555774379 /nfs/dbraw/zinc/77/43/79/555774379.db2.gz APAPGLQUIYFHBB-QFIPXVFZSA-N 1 1 498.627 4.809 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000020386616 555787475 /nfs/dbraw/zinc/78/74/75/555787475.db2.gz ORDVUOQIJHVOHF-OLSRWKBDSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000020386616 555787478 /nfs/dbraw/zinc/78/74/78/555787478.db2.gz ORDVUOQIJHVOHF-OLSRWKBDSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](CCc3ccccc3)C2)cc1 ZINC000014533364 555821631 /nfs/dbraw/zinc/82/16/31/555821631.db2.gz OTRTWSHDMUVBSD-URLMMPGGSA-N 1 1 495.667 4.919 50 0 JJAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011788136 555822482 /nfs/dbraw/zinc/82/24/82/555822482.db2.gz YXZAPIPJPMDJPW-FQEVSTJZSA-N 1 1 463.607 4.661 50 0 JJAAMO COCCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534749 555823681 /nfs/dbraw/zinc/82/36/81/555823681.db2.gz FEDIOANPLMEVBO-PWUYWRBVSA-N 1 1 486.656 4.998 50 0 JJAAMO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020589625 555837882 /nfs/dbraw/zinc/83/78/82/555837882.db2.gz GBCLVGSEXZDTFH-UHFFFAOYSA-N 1 1 482.580 4.673 50 0 JJAAMO CSc1ccc2cc(C[NH2+][C@@H]3CCS(=O)(=O)C3)c(OCc3cccc(C(F)(F)F)c3)nc2c1 ZINC000011910726 555858309 /nfs/dbraw/zinc/85/83/09/555858309.db2.gz LQIKWDMESPXCRD-LJQANCHMSA-N 1 1 496.576 4.831 50 0 JJAAMO CCOc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3Cl)C4=O)CC2)cc1 ZINC000015068166 555868386 /nfs/dbraw/zinc/86/83/86/555868386.db2.gz FYPVESFOLPPHDX-UHFFFAOYSA-N 1 1 490.003 4.857 50 0 JJAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)C2CCC2)C3)s1 ZINC000011965306 555871663 /nfs/dbraw/zinc/87/16/63/555871663.db2.gz WEACPQHCSKGHJA-LJQANCHMSA-N 1 1 454.636 4.965 50 0 JJAAMO O=C([C@@H]1CC12CC[NH+](Cc1nc3ccccc3s1)CC2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000012027386 555885989 /nfs/dbraw/zinc/88/59/89/555885989.db2.gz XMXCDLUUZSMQMF-OKHPUOTASA-N 1 1 486.685 4.756 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)cc3n2)cc1 ZINC000015319779 555897644 /nfs/dbraw/zinc/89/76/44/555897644.db2.gz PVOVSLQURVPQML-UWJYYQICSA-N 1 1 488.510 4.845 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccccc2F)CC3)c1 ZINC000012097111 555904406 /nfs/dbraw/zinc/90/44/06/555904406.db2.gz GRXKYVDGBIMROB-XMMPIXPASA-N 1 1 463.601 4.610 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccccc2F)CC3)c1 ZINC000012097111 555904411 /nfs/dbraw/zinc/90/44/11/555904411.db2.gz GRXKYVDGBIMROB-XMMPIXPASA-N 1 1 463.601 4.610 50 0 JJAAMO COc1ccc(C[N@@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2ccon2)cc1C ZINC000012099131 555906285 /nfs/dbraw/zinc/90/62/85/555906285.db2.gz AYDNRULTUJVXBM-PKTZIBPZSA-N 1 1 469.582 4.525 50 0 JJAAMO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)Cc2ccon2)cc1C ZINC000012099131 555906289 /nfs/dbraw/zinc/90/62/89/555906289.db2.gz AYDNRULTUJVXBM-PKTZIBPZSA-N 1 1 469.582 4.525 50 0 JJAAMO CCN1CCC[C@H](C[N@H+](C)C2CCN(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CC2)C1 ZINC000012152397 555926366 /nfs/dbraw/zinc/92/63/66/555926366.db2.gz ULXRAQFOZAVJIO-JOCHJYFZSA-N 1 1 464.654 4.580 50 0 JJAAMO CCN1CCC[C@H](C[N@@H+](C)C2CCN(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CC2)C1 ZINC000012152397 555926371 /nfs/dbraw/zinc/92/63/71/555926371.db2.gz ULXRAQFOZAVJIO-JOCHJYFZSA-N 1 1 464.654 4.580 50 0 JJAAMO Cc1cc(NCCC[NH+]2CCOCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000015670906 555927395 /nfs/dbraw/zinc/92/73/95/555927395.db2.gz INQPBQZKRRVRRC-UHFFFAOYSA-N 1 1 453.896 4.511 50 0 JJAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000022908329 555965643 /nfs/dbraw/zinc/96/56/43/555965643.db2.gz KZMBTFWAJYRVJE-NRFANRHFSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000022908329 555965646 /nfs/dbraw/zinc/96/56/46/555965646.db2.gz KZMBTFWAJYRVJE-NRFANRHFSA-N 1 1 453.995 4.564 50 0 JJAAMO COc1cccc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000022930713 555983811 /nfs/dbraw/zinc/98/38/11/555983811.db2.gz OUXBUYRYKRGTFU-NDEPHWFRSA-N 1 1 466.585 4.741 50 0 JJAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)Cc3ccco3)n2)cc1 ZINC000015781599 556000732 /nfs/dbraw/zinc/00/07/32/556000732.db2.gz XXSAHPYHGLCWJH-UHFFFAOYSA-N 1 1 458.562 4.627 50 0 JJAAMO CC(C)[N@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](O)COCc1ccccc1Cl ZINC000012550215 556031002 /nfs/dbraw/zinc/03/10/02/556031002.db2.gz DQYQYRAEMPPNHJ-XZOQPEGZSA-N 1 1 457.998 4.521 50 0 JJAAMO COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000023336332 556046082 /nfs/dbraw/zinc/04/60/82/556046082.db2.gz ULEPVJFZOWOONJ-IBGZPJMESA-N 1 1 458.606 4.845 50 0 JJAAMO COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cc3)n[nH]c1-2 ZINC000023336332 556046085 /nfs/dbraw/zinc/04/60/85/556046085.db2.gz ULEPVJFZOWOONJ-IBGZPJMESA-N 1 1 458.606 4.845 50 0 JJAAMO COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cc3)n[nH]c1-2 ZINC000023336332 556046090 /nfs/dbraw/zinc/04/60/90/556046090.db2.gz ULEPVJFZOWOONJ-IBGZPJMESA-N 1 1 458.606 4.845 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)CC1 ZINC000015942809 556077937 /nfs/dbraw/zinc/07/79/37/556077937.db2.gz XIFPAVFHQCVSCN-UHFFFAOYSA-N 1 1 481.568 4.787 50 0 JJAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2 ZINC000015946654 556083290 /nfs/dbraw/zinc/08/32/90/556083290.db2.gz AZJHOQQMFRLBJJ-INIZCTEOSA-N 1 1 471.623 4.709 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2 ZINC000015946654 556083295 /nfs/dbraw/zinc/08/32/95/556083295.db2.gz AZJHOQQMFRLBJJ-INIZCTEOSA-N 1 1 471.623 4.709 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCCC2 ZINC000015946861 556084027 /nfs/dbraw/zinc/08/40/27/556084027.db2.gz KJUXPUZPVYNIGV-UHFFFAOYSA-N 1 1 473.982 4.863 50 0 JJAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[C@H](C)CC2 ZINC000015946916 556084038 /nfs/dbraw/zinc/08/40/38/556084038.db2.gz RGECERTXTIRIDW-QGZVFWFLSA-N 1 1 455.624 4.948 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)sc2c1CC[C@H](C)C2 ZINC000015946910 556084049 /nfs/dbraw/zinc/08/40/49/556084049.db2.gz IAICTBHDVHYJLR-IRXDYDNUSA-N 1 1 455.624 4.947 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)sc2c1CC[C@H](C)C2 ZINC000015946910 556084050 /nfs/dbraw/zinc/08/40/50/556084050.db2.gz IAICTBHDVHYJLR-IRXDYDNUSA-N 1 1 455.624 4.947 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000015947164 556084698 /nfs/dbraw/zinc/08/46/98/556084698.db2.gz UBQIRKHVANBIFP-HXUWFJFHSA-N 1 1 469.588 4.844 50 0 JJAAMO CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](CC)C5)o2)cc1 ZINC000015947301 556085206 /nfs/dbraw/zinc/08/52/06/556085206.db2.gz INKYTCOXKZMSMS-NRFANRHFSA-N 1 1 451.548 4.992 50 0 JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000015955264 556088058 /nfs/dbraw/zinc/08/80/58/556088058.db2.gz KRSBANZBOANWDS-WDDWZANVSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000015955264 556088059 /nfs/dbraw/zinc/08/80/59/556088059.db2.gz KRSBANZBOANWDS-WDDWZANVSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000023936012 556102436 /nfs/dbraw/zinc/10/24/36/556102436.db2.gz NFVASRVVPZRYOI-UHFFFAOYSA-N 1 1 478.946 4.975 50 0 JJAAMO O=C(COc1ccc(-c2nccc(-c3cccs3)n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012959972 556162612 /nfs/dbraw/zinc/16/26/12/556162612.db2.gz AAZPIHBSXCWHCK-UHFFFAOYSA-N 1 1 470.598 4.595 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012982397 556175850 /nfs/dbraw/zinc/17/58/50/556175850.db2.gz ZHHVOGJJXRUJMB-DNVCBOLYSA-N 1 1 450.457 4.911 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012982397 556175854 /nfs/dbraw/zinc/17/58/54/556175854.db2.gz ZHHVOGJJXRUJMB-DNVCBOLYSA-N 1 1 450.457 4.911 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3F)n2)C1 ZINC000012993738 556186232 /nfs/dbraw/zinc/18/62/32/556186232.db2.gz GBZHOCNEWSTULD-BETUJISGSA-N 1 1 456.381 4.540 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)COc3ccc(Br)cc3F)n2)C1 ZINC000012993738 556186236 /nfs/dbraw/zinc/18/62/36/556186236.db2.gz GBZHOCNEWSTULD-BETUJISGSA-N 1 1 456.381 4.540 50 0 JJAAMO COc1cc(C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C2CC2)ccc1OC(F)F ZINC000012994066 556186750 /nfs/dbraw/zinc/18/67/50/556186750.db2.gz LGZTYJUSCNRFPY-UHFFFAOYSA-N 1 1 483.353 4.682 50 0 JJAAMO COc1cc(C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C2CC2)ccc1OC(F)F ZINC000012994066 556186751 /nfs/dbraw/zinc/18/67/51/556186751.db2.gz LGZTYJUSCNRFPY-UHFFFAOYSA-N 1 1 483.353 4.682 50 0 JJAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957640 556188852 /nfs/dbraw/zinc/18/88/52/556188852.db2.gz NCKKYGLSEXQYJW-AUUYWEPGSA-N 1 1 451.857 4.947 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1 ZINC000017012289 556202483 /nfs/dbraw/zinc/20/24/83/556202483.db2.gz RAQJDCXFOIFJOP-UHFFFAOYSA-N 1 1 459.594 4.797 50 0 JJAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)[nH+]1 ZINC000017012823 556202843 /nfs/dbraw/zinc/20/28/43/556202843.db2.gz ZEBXBBHWSZCBIB-UHFFFAOYSA-N 1 1 497.624 4.611 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000017042716 556209427 /nfs/dbraw/zinc/20/94/27/556209427.db2.gz SPHGTLXNQGGIQZ-UHFFFAOYSA-N 1 1 473.602 4.501 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000013039732 556241406 /nfs/dbraw/zinc/24/14/06/556241406.db2.gz VZDZXMWEJZYSGP-JKSUJKDBSA-N 1 1 474.623 4.526 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000013039732 556241409 /nfs/dbraw/zinc/24/14/09/556241409.db2.gz VZDZXMWEJZYSGP-JKSUJKDBSA-N 1 1 474.623 4.526 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296976 556252433 /nfs/dbraw/zinc/25/24/33/556252433.db2.gz HTGJMEDHKIHWQG-DEOSSOPVSA-N 1 1 484.980 4.522 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000028288861 556328002 /nfs/dbraw/zinc/32/80/02/556328002.db2.gz XUMXSGPCXLJJCK-HXUWFJFHSA-N 1 1 485.378 4.521 50 0 JJAAMO O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000029630173 556354205 /nfs/dbraw/zinc/35/42/05/556354205.db2.gz QRBHPIYPTAICSJ-SANMLTNESA-N 1 1 482.628 4.864 50 0 JJAAMO CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019596616 556356336 /nfs/dbraw/zinc/35/63/36/556356336.db2.gz ATTANZDQPXUSJA-UHFFFAOYSA-N 1 1 493.654 4.652 50 0 JJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@H](c3nncn3C)C2)c(C)s1 ZINC000019739870 556363439 /nfs/dbraw/zinc/36/34/39/556363439.db2.gz IKQBMWUFEFZRLZ-SFHVURJKSA-N 1 1 450.587 4.865 50 0 JJAAMO COc1ccc(CCNC(=O)CC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1OC ZINC000019743883 556365476 /nfs/dbraw/zinc/36/54/76/556365476.db2.gz XFBIRGQAJLGFSB-HHHXNRCGSA-N 1 1 478.564 4.528 50 0 JJAAMO CN(Cc1ccc(Br)cc1)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000032664863 556466554 /nfs/dbraw/zinc/46/65/54/556466554.db2.gz QNHHJCWQMCIVGX-UHFFFAOYSA-N 1 1 458.425 4.897 50 0 JJAAMO CCOc1cc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc(-c2ccccc2)c1OC ZINC000032728279 556476867 /nfs/dbraw/zinc/47/68/67/556476867.db2.gz DOKVZNZXUZXBBF-QFIPXVFZSA-N 1 1 473.617 4.701 50 0 JJAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000032754484 556486954 /nfs/dbraw/zinc/48/69/54/556486954.db2.gz HNTFUVLVCPCYPS-QGZVFWFLSA-N 1 1 454.596 4.636 50 0 JJAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000032754484 556486958 /nfs/dbraw/zinc/48/69/58/556486958.db2.gz HNTFUVLVCPCYPS-QGZVFWFLSA-N 1 1 454.596 4.636 50 0 JJAAMO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000054074887 569589338 /nfs/dbraw/zinc/58/93/38/569589338.db2.gz PZWGHTHLWUURDM-UHFFFAOYSA-N 1 1 453.377 4.504 50 0 JJAAMO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000055183096 569591212 /nfs/dbraw/zinc/59/12/12/569591212.db2.gz KRLZCKIOQFQOII-AREMUKBSSA-N 1 1 455.558 4.756 50 0 JJAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)cc1 ZINC000055183096 569591213 /nfs/dbraw/zinc/59/12/13/569591213.db2.gz KRLZCKIOQFQOII-AREMUKBSSA-N 1 1 455.558 4.756 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1c2cc(Cl)cc1C ZINC000057142626 569594614 /nfs/dbraw/zinc/59/46/14/569594614.db2.gz SZVPEYSSFJJNBD-JCEJCQQGSA-N 1 1 460.361 4.581 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cc(Cl)cc1C ZINC000057142626 569594615 /nfs/dbraw/zinc/59/46/15/569594615.db2.gz SZVPEYSSFJJNBD-JCEJCQQGSA-N 1 1 460.361 4.581 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984003 569607288 /nfs/dbraw/zinc/60/72/88/569607288.db2.gz QUGCWBZFZJPLLI-BDFKGGEMSA-N 1 1 453.970 4.706 50 0 JJAAMO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000062566723 569611119 /nfs/dbraw/zinc/61/11/19/569611119.db2.gz AMTWGMKSVJXGJZ-NVQXNPDNSA-N 1 1 491.657 4.809 50 0 JJAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000063515023 569615286 /nfs/dbraw/zinc/61/52/86/569615286.db2.gz YAENXPMEAXUGOA-YADHBBJMSA-N 1 1 482.477 4.714 50 0 JJAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000063515022 569615322 /nfs/dbraw/zinc/61/53/22/569615322.db2.gz YAENXPMEAXUGOA-FGZHOGPDSA-N 1 1 482.477 4.714 50 0 JJAAMO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000063515021 569615359 /nfs/dbraw/zinc/61/53/59/569615359.db2.gz YAENXPMEAXUGOA-VXKWHMMOSA-N 1 1 482.477 4.714 50 0 JJAAMO Cc1cc(=O)c(C(=O)N2CC[NH+](C(C)C)CC2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000064053281 569616147 /nfs/dbraw/zinc/61/61/47/569616147.db2.gz GBCNSTPXGDNFCS-XMMPIXPASA-N 1 1 479.671 4.763 50 0 JJAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000033318491 569623339 /nfs/dbraw/zinc/62/33/39/569623339.db2.gz RYUKMZOACPQIJI-UHFFFAOYSA-N 1 1 457.987 4.973 50 0 JJAAMO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+](C)Cc2ccccc2)C3=O)o1 ZINC000033331897 569624421 /nfs/dbraw/zinc/62/44/21/569624421.db2.gz WQDAHKYBGABACM-LJAQVGFWSA-N 1 1 490.648 4.728 50 0 JJAAMO CC[C@@H]1Cn2c(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816628 569633576 /nfs/dbraw/zinc/63/35/76/569633576.db2.gz UIAVCFCJXIFJFU-GOSISDBHSA-N 1 1 485.003 4.547 50 0 JJAAMO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NC[C@@H]1CCCO1 ZINC000034671517 569640767 /nfs/dbraw/zinc/64/07/67/569640767.db2.gz QAGZJFUVNPAQSD-LITSAYRRSA-N 1 1 456.586 4.508 50 0 JJAAMO Cc1cccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c1 ZINC000034681714 569643586 /nfs/dbraw/zinc/64/35/86/569643586.db2.gz POZQQWKTMGYPME-UHFFFAOYSA-N 1 1 464.997 4.773 50 0 JJAAMO COc1ccc(OC)c(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)c1 ZINC000034683686 569644419 /nfs/dbraw/zinc/64/44/19/569644419.db2.gz RRBPKUGKFAZGOH-UHFFFAOYSA-N 1 1 484.593 4.703 50 0 JJAAMO COc1ccc(N(C2CC[NH+](Cc3ccsc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683744 569644612 /nfs/dbraw/zinc/64/46/12/569644612.db2.gz UWQDUKISIHZLPH-UHFFFAOYSA-N 1 1 472.632 4.625 50 0 JJAAMO Cc1ccc(N(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034683786 569644668 /nfs/dbraw/zinc/64/46/68/569644668.db2.gz XLVXZVSSEPJJAD-UHFFFAOYSA-N 1 1 496.604 4.765 50 0 JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000034688917 569645607 /nfs/dbraw/zinc/64/56/07/569645607.db2.gz KRSBANZBOANWDS-ICTDUYRTSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000034688917 569645609 /nfs/dbraw/zinc/64/56/09/569645609.db2.gz KRSBANZBOANWDS-ICTDUYRTSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023201 569649841 /nfs/dbraw/zinc/64/98/41/569649841.db2.gz KAEGROCFJYVMLM-XMMPIXPASA-N 1 1 475.612 4.528 50 0 JJAAMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711148 569650883 /nfs/dbraw/zinc/65/08/83/569650883.db2.gz KVXBYQGFDCZYPW-YADHBBJMSA-N 1 1 464.512 4.616 50 0 JJAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740470 569655281 /nfs/dbraw/zinc/65/52/81/569655281.db2.gz JJSZOWJOKYPELU-LADGPHEKSA-N 1 1 454.586 4.911 50 0 JJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063026 569656258 /nfs/dbraw/zinc/65/62/58/569656258.db2.gz MQYMRSCKGIBRKF-UHFFFAOYSA-N 1 1 491.592 4.546 50 0 JJAAMO O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034760875 569657723 /nfs/dbraw/zinc/65/77/23/569657723.db2.gz JNLVYVXFFUFKBZ-XHPQRKPJSA-N 1 1 497.620 4.881 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034829592 569663220 /nfs/dbraw/zinc/66/32/20/569663220.db2.gz SMBATYQMRHEGTF-PIKZIKFNSA-N 1 1 479.690 4.725 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034829592 569663221 /nfs/dbraw/zinc/66/32/21/569663221.db2.gz SMBATYQMRHEGTF-PIKZIKFNSA-N 1 1 479.690 4.725 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829723 569663399 /nfs/dbraw/zinc/66/33/99/569663399.db2.gz LPEJPJMUSSTXMG-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829723 569663400 /nfs/dbraw/zinc/66/34/00/569663400.db2.gz LPEJPJMUSSTXMG-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@H](C)C2)cc1 ZINC000034829736 569663496 /nfs/dbraw/zinc/66/34/96/569663496.db2.gz YKNPNLHFPDOZCI-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@H](C)C2)cc1 ZINC000034829736 569663498 /nfs/dbraw/zinc/66/34/98/569663498.db2.gz YKNPNLHFPDOZCI-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034830054 569663524 /nfs/dbraw/zinc/66/35/24/569663524.db2.gz KXURGNWIFLIUAC-NDEPHWFRSA-N 1 1 487.669 4.769 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830399 569663828 /nfs/dbraw/zinc/66/38/28/569663828.db2.gz IACWTMTVMHYQCM-LVXARBLLSA-N 1 1 481.706 4.890 50 0 JJAAMO COc1ccc(-c2noc(CCCC(=O)NCc3ccccc3C[N@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000069950506 569694322 /nfs/dbraw/zinc/69/43/22/569694322.db2.gz RGUDFONAJKRXSE-FQEVSTJZSA-N 1 1 462.594 4.759 50 0 JJAAMO O=C(NCCc1cnc[nH]1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000035451425 569696910 /nfs/dbraw/zinc/69/69/10/569696910.db2.gz LAYDAOJHSGFWLK-UHFFFAOYSA-N 1 1 476.024 4.637 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454118 569697388 /nfs/dbraw/zinc/69/73/88/569697388.db2.gz RKSQVCIWKVJJNV-JOCHJYFZSA-N 1 1 473.061 4.834 50 0 JJAAMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454180 569697407 /nfs/dbraw/zinc/69/74/07/569697407.db2.gz KIXILYUQJBABJZ-OALUTQOASA-N 1 1 473.061 4.548 50 0 JJAAMO C[N@@H+](CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000035528874 569700023 /nfs/dbraw/zinc/70/00/23/569700023.db2.gz IGNJCFPSAQLPIE-UHFFFAOYSA-N 1 1 457.018 4.612 50 0 JJAAMO CC(C)[N@@H+](CCNC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2)Cc1ccccc1 ZINC000035534878 569701560 /nfs/dbraw/zinc/70/15/60/569701560.db2.gz HDQPGVCVLGJACT-UHFFFAOYSA-N 1 1 455.027 4.987 50 0 JJAAMO O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035657083 569706008 /nfs/dbraw/zinc/70/60/08/569706008.db2.gz GQHUFOAJRUBJTE-UHFFFAOYSA-N 1 1 465.391 4.986 50 0 JJAAMO O=C(C[N@@H+](Cc1cccc(O)c1)C1CCC(O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000078724185 569706646 /nfs/dbraw/zinc/70/66/46/569706646.db2.gz HECBOQCBFYAEEL-UHFFFAOYSA-N 1 1 468.613 4.998 50 0 JJAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)CC1 ZINC000085409426 569710377 /nfs/dbraw/zinc/71/03/77/569710377.db2.gz WQFVANHXMKOSOI-UHFFFAOYSA-N 1 1 497.668 4.597 50 0 JJAAMO Cc1ccc(-n2c(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)nnc2-c2cccs2)cc1 ZINC000085424788 569710859 /nfs/dbraw/zinc/71/08/59/569710859.db2.gz AJIUYQMNSLAXCR-UHFFFAOYSA-N 1 1 489.670 4.984 50 0 JJAAMO O=C(c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085649721 569712297 /nfs/dbraw/zinc/71/22/97/569712297.db2.gz STAZAJKPAFDUEA-UHFFFAOYSA-N 1 1 467.548 4.984 50 0 JJAAMO COCC[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000035840680 569713795 /nfs/dbraw/zinc/71/37/95/569713795.db2.gz BUEAYCXWXJEIFH-MUUNZHRXSA-N 1 1 464.650 4.860 50 0 JJAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccc(Br)cc1 ZINC000035843552 569714367 /nfs/dbraw/zinc/71/43/67/569714367.db2.gz VNFQDQOBRVDLLC-QHCPKHFHSA-N 1 1 493.467 4.570 50 0 JJAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843584 569714506 /nfs/dbraw/zinc/71/45/06/569714506.db2.gz JUFWKTIRPUTOLM-QFIPXVFZSA-N 1 1 481.431 4.701 50 0 JJAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000035907822 569723498 /nfs/dbraw/zinc/72/34/98/569723498.db2.gz FJFFUYYYIDLHJM-LADGPHEKSA-N 1 1 459.556 4.731 50 0 JJAAMO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908107 569723772 /nfs/dbraw/zinc/72/37/72/569723772.db2.gz VSMLTCWYMIJBLE-ILBGXUMGSA-N 1 1 489.582 4.610 50 0 JJAAMO Cn1cccc1C[N@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC1 ZINC000095926209 569730323 /nfs/dbraw/zinc/73/03/23/569730323.db2.gz GDKDHUWIZZBDQL-UHFFFAOYSA-N 1 1 478.025 4.710 50 0 JJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000096116456 569735280 /nfs/dbraw/zinc/73/52/80/569735280.db2.gz FNEPEWRQNIQNKQ-JYFHCDHNSA-N 1 1 456.590 4.724 50 0 biogenic JJAAMO C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[NH+]1CCCCC1 ZINC000035990978 569744197 /nfs/dbraw/zinc/74/41/97/569744197.db2.gz VSIBPOJJDZGYNY-HXUWFJFHSA-N 1 1 452.382 4.549 50 0 JJAAMO C[C@@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546858 569745375 /nfs/dbraw/zinc/74/53/75/569745375.db2.gz ANWUINNDMYCNDD-ATIYNZHBSA-N 1 1 478.731 4.702 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043106 569754605 /nfs/dbraw/zinc/75/46/05/569754605.db2.gz ZJXOVCGGJLJHML-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043106 569754606 /nfs/dbraw/zinc/75/46/06/569754606.db2.gz ZJXOVCGGJLJHML-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@H](O)COCc1ccco1 ZINC000036245985 569757718 /nfs/dbraw/zinc/75/77/18/569757718.db2.gz SEOVLNBHXLYQKU-IRLDBZIGSA-N 1 1 455.599 4.957 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249918 569758188 /nfs/dbraw/zinc/75/81/88/569758188.db2.gz NIGLWIRKIAXKQV-XMMPIXPASA-N 1 1 451.611 4.894 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036301502 569759094 /nfs/dbraw/zinc/75/90/94/569759094.db2.gz RGGDDBLDOGHKIX-VWLOTQADSA-N 1 1 471.601 4.931 50 0 JJAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036310784 569759400 /nfs/dbraw/zinc/75/94/00/569759400.db2.gz NWRZMBSBBHLFBN-OFVILXPXSA-N 1 1 454.659 4.919 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313014 569760617 /nfs/dbraw/zinc/76/06/17/569760617.db2.gz VYUROFDKFFRJRB-SANMLTNESA-N 1 1 493.648 4.748 50 0 JJAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313722 569760903 /nfs/dbraw/zinc/76/09/03/569760903.db2.gz WNMWBQKYCHQXOU-HSZRJFAPSA-N 1 1 467.610 4.981 50 0 JJAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313722 569760904 /nfs/dbraw/zinc/76/09/04/569760904.db2.gz WNMWBQKYCHQXOU-HSZRJFAPSA-N 1 1 467.610 4.981 50 0 JJAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316069 569762091 /nfs/dbraw/zinc/76/20/91/569762091.db2.gz AVPVLOZXCKHZIA-AZGAKELHSA-N 1 1 493.648 4.955 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316175 569762412 /nfs/dbraw/zinc/76/24/12/569762412.db2.gz KCHYDFNNDSZJMB-NRFANRHFSA-N 1 1 471.548 4.767 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316390 569762839 /nfs/dbraw/zinc/76/28/39/569762839.db2.gz QIDJOWXUZWYBFM-QFIPXVFZSA-N 1 1 467.610 4.843 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316466 569762959 /nfs/dbraw/zinc/76/29/59/569762959.db2.gz UXPVYNFMKYBTOM-NRFANRHFSA-N 1 1 455.574 4.974 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC ZINC000036316436 569763046 /nfs/dbraw/zinc/76/30/46/569763046.db2.gz HHUZUOJALFLVBB-QFIPXVFZSA-N 1 1 467.610 4.845 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316536 569763310 /nfs/dbraw/zinc/76/33/10/569763310.db2.gz BDVYWVROAXVPPV-QHCPKHFHSA-N 1 1 467.585 4.976 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2Cl)C1 ZINC000036341004 569764134 /nfs/dbraw/zinc/76/41/34/569764134.db2.gz ZVDYYTZAQRTFDU-HXOBKFHXSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2Cl)C1 ZINC000036341004 569764136 /nfs/dbraw/zinc/76/41/36/569764136.db2.gz ZVDYYTZAQRTFDU-HXOBKFHXSA-N 1 1 488.415 4.946 50 0 JJAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036341373 569764535 /nfs/dbraw/zinc/76/45/35/569764535.db2.gz QIKLXODREQONSI-LJAQVGFWSA-N 1 1 496.655 4.808 50 0 JJAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036341709 569764663 /nfs/dbraw/zinc/76/46/63/569764663.db2.gz JYMOXAGCNJWHGQ-HSZRJFAPSA-N 1 1 455.986 4.767 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343399 569766314 /nfs/dbraw/zinc/76/63/14/569766314.db2.gz QPYSBCDHRCIIHR-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343399 569766315 /nfs/dbraw/zinc/76/63/15/569766315.db2.gz QPYSBCDHRCIIHR-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343251 569766346 /nfs/dbraw/zinc/76/63/46/569766346.db2.gz QWLBGCSXLFTJEM-AREMUKBSSA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343251 569766348 /nfs/dbraw/zinc/76/63/48/569766348.db2.gz QWLBGCSXLFTJEM-AREMUKBSSA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343249 569766384 /nfs/dbraw/zinc/76/63/84/569766384.db2.gz QWLBGCSXLFTJEM-SANMLTNESA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343249 569766385 /nfs/dbraw/zinc/76/63/85/569766385.db2.gz QWLBGCSXLFTJEM-SANMLTNESA-N 1 1 473.573 4.522 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343798 569766476 /nfs/dbraw/zinc/76/64/76/569766476.db2.gz GMBQITFTEISVRF-YKSBVNFPSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343798 569766477 /nfs/dbraw/zinc/76/64/77/569766477.db2.gz GMBQITFTEISVRF-YKSBVNFPSA-N 1 1 467.997 4.601 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036345111 569767662 /nfs/dbraw/zinc/76/76/62/569767662.db2.gz BKWCVVOTSBYZLE-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345820 569768128 /nfs/dbraw/zinc/76/81/28/569768128.db2.gz LCLODVOIEILTMH-JOCHJYFZSA-N 1 1 455.574 4.974 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346739 569770614 /nfs/dbraw/zinc/77/06/14/569770614.db2.gz XPIZYUCEMIXBPE-JOCHJYFZSA-N 1 1 457.521 4.613 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346739 569770615 /nfs/dbraw/zinc/77/06/15/569770615.db2.gz XPIZYUCEMIXBPE-JOCHJYFZSA-N 1 1 457.521 4.613 50 0 JJAAMO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000037588013 569796746 /nfs/dbraw/zinc/79/67/46/569796746.db2.gz WNRKAANMFWOKNH-UHFFFAOYSA-N 1 1 482.577 4.723 50 0 JJAAMO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)CC1 ZINC000038546586 569803432 /nfs/dbraw/zinc/80/34/32/569803432.db2.gz LJFXPIZUYJMDSO-HSZRJFAPSA-N 1 1 450.608 4.594 50 0 JJAAMO COc1ccccc1N1CC[NH+](CCOc2ccc(-c3n[nH]c(C)c3-c3ccccc3)c(O)c2)CC1 ZINC000039354652 569809361 /nfs/dbraw/zinc/80/93/61/569809361.db2.gz QDLGMCJPZHNNKY-UHFFFAOYSA-N 1 1 484.600 4.967 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000102757787 569821592 /nfs/dbraw/zinc/82/15/92/569821592.db2.gz WQGRVIWHZBNCBU-ZFWHIUCFSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000102757787 569821593 /nfs/dbraw/zinc/82/15/93/569821593.db2.gz WQGRVIWHZBNCBU-ZFWHIUCFSA-N 1 1 452.595 4.627 50 0 JJAAMO C[N@@H+](CCCN1C(=O)[C@@H](Oc2ccc(F)cc2Cl)[C@H]1c1cscn1)Cc1ccccc1 ZINC000040157683 569821676 /nfs/dbraw/zinc/82/16/76/569821676.db2.gz GDVNHVCDJAZRPM-YADHBBJMSA-N 1 1 459.974 4.789 50 0 JJAAMO COc1ccc(-c2nn3c(nc(C)cc3N3CC[NH+](C/C=C/c4ccccc4)CC3)c2C)cc1 ZINC000040216831 569823107 /nfs/dbraw/zinc/82/31/07/569823107.db2.gz DEQUJOAHYINOMJ-JXMROGBWSA-N 1 1 453.590 4.857 50 0 JJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000103051872 569832363 /nfs/dbraw/zinc/83/23/63/569832363.db2.gz BBZWDXMILZKJAN-LGGPFLRQSA-N 1 1 458.602 4.859 50 0 JJAAMO COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000103051872 569832364 /nfs/dbraw/zinc/83/23/64/569832364.db2.gz BBZWDXMILZKJAN-LGGPFLRQSA-N 1 1 458.602 4.859 50 0 JJAAMO 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O=C(Nc1cccnc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247517727 570068465 /nfs/dbraw/zinc/06/84/65/570068465.db2.gz WHDMILRSDVEOLG-HXUWFJFHSA-N 1 1 459.981 4.984 50 0 JJAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000247740193 570069158 /nfs/dbraw/zinc/06/91/58/570069158.db2.gz NJYHDSZVSJSJAV-LOSJGSFVSA-N 1 1 461.606 4.526 50 0 JJAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000247873187 570070501 /nfs/dbraw/zinc/07/05/01/570070501.db2.gz RTZYXHGHWKERPR-OAQYLSRUSA-N 1 1 451.014 4.963 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N(C(C)C)C(C)C)C3)nc3ccccc32)cc1 ZINC000247879831 570070652 /nfs/dbraw/zinc/07/06/52/570070652.db2.gz IIZSZTMVQGCNDD-HSZRJFAPSA-N 1 1 462.638 4.951 50 0 JJAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c(C)c1 ZINC000247991830 570072297 /nfs/dbraw/zinc/07/22/97/570072297.db2.gz KTWXQZDGZBJLQW-XMMPIXPASA-N 1 1 473.665 4.795 50 0 JJAAMO Cc1ccc(C)c(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)c1 ZINC000248030064 570073051 /nfs/dbraw/zinc/07/30/51/570073051.db2.gz XGJUJPCLUPHNSV-UHFFFAOYSA-N 1 1 473.665 4.795 50 0 JJAAMO CCCCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248232686 570076374 /nfs/dbraw/zinc/07/63/74/570076374.db2.gz LIXPCQQBCAXWLE-UHFFFAOYSA-N 1 1 469.427 4.916 50 0 JJAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)[C@H](C)C(C)(C)O ZINC000248260894 570077139 /nfs/dbraw/zinc/07/71/39/570077139.db2.gz QKKIBLLNTBFVAE-IFMALSPDSA-N 1 1 458.668 4.741 50 0 JJAAMO CCCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc12 ZINC000253410824 570097704 /nfs/dbraw/zinc/09/77/04/570097704.db2.gz NUOPMSZIIQEWDO-JTHBVZDNSA-N 1 1 454.611 4.546 50 0 JJAAMO CC(C)CCN[C@H]1c2ccccc2C(=O)N1CCN1C(=O)c2ccccc2[C@@H]1[NH2+]CCC(C)C ZINC000334163401 570185127 /nfs/dbraw/zinc/18/51/27/570185127.db2.gz QXMSITAMKTZLJV-CLJLJLNGSA-N 1 1 462.638 4.567 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@H](C)c3ccccc3)CC23CCCCC3)cc1 ZINC000002953394 194178410 /nfs/dbraw/zinc/17/84/10/194178410.db2.gz JESQAOUHFGPZPQ-HSZRJFAPSA-N 1 1 478.706 4.567 50 0 JJAAMO COc1ccc(-c2c(C)oc3cc(OC[C@@H](O)C[N@@H+]4CCc5ccccc5C4)ccc3c2=O)cc1 ZINC000003227709 194244566 /nfs/dbraw/zinc/24/45/66/194244566.db2.gz WXRMWFYQGHVVSO-QHCPKHFHSA-N 1 1 471.553 4.575 50 0 JJAAMO COc1ccc(-c2c(C)oc3cc(OC[C@@H](O)C[N@H+]4CCc5ccccc5C4)ccc3c2=O)cc1 ZINC000003227709 194244567 /nfs/dbraw/zinc/24/45/67/194244567.db2.gz WXRMWFYQGHVVSO-QHCPKHFHSA-N 1 1 471.553 4.575 50 0 JJAAMO O[C@H](C[NH2+][C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)COCc1ccccc1Cl ZINC000003384465 194310266 /nfs/dbraw/zinc/31/02/66/194310266.db2.gz XXQWZBFUXUOENV-VWNXMTODSA-N 1 1 463.965 4.841 50 0 JJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000009611676 194816562 /nfs/dbraw/zinc/81/65/62/194816562.db2.gz DECAOIWOYBPLQU-UHFFFAOYSA-N 1 1 481.015 4.848 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000009884377 195013131 /nfs/dbraw/zinc/01/31/31/195013131.db2.gz RFAPJUDSMKLTOP-NRFANRHFSA-N 1 1 458.653 4.629 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000009884377 195013135 /nfs/dbraw/zinc/01/31/35/195013135.db2.gz RFAPJUDSMKLTOP-NRFANRHFSA-N 1 1 458.653 4.629 50 0 JJAAMO CC(C)C[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000012620234 195056622 /nfs/dbraw/zinc/05/66/22/195056622.db2.gz KXFWEWBCMXLHIZ-MHZLTWQESA-N 1 1 495.623 4.631 50 0 JJAAMO CC(C)C[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000012620238 195056681 /nfs/dbraw/zinc/05/66/81/195056681.db2.gz KXFWEWBCMXLHIZ-HHHXNRCGSA-N 1 1 495.623 4.631 50 0 JJAAMO CSc1ncc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)n1-c1ccc(F)cc1 ZINC000012628829 195061215 /nfs/dbraw/zinc/06/12/15/195061215.db2.gz IFIHOPJRPYZEDX-UHFFFAOYSA-N 1 1 481.984 4.897 50 0 JJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@@H]2CCNC(C)=O)c(F)c1 ZINC000012709764 195094334 /nfs/dbraw/zinc/09/43/34/195094334.db2.gz AKWQHKRSABAQHC-OAQYLSRUSA-N 1 1 450.558 4.568 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)c1 ZINC000012784300 195126499 /nfs/dbraw/zinc/12/64/99/195126499.db2.gz ZWVDUBMRZGWEAH-HZPDHXFCSA-N 1 1 499.102 4.557 50 0 JJAAMO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000012812245 195144806 /nfs/dbraw/zinc/14/48/06/195144806.db2.gz YGZPMCKTGYAKJQ-PIGZYNQJSA-N 1 1 460.283 4.950 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012872876 195164357 /nfs/dbraw/zinc/16/43/57/195164357.db2.gz NFJUWKAUKUSRDP-HNNXBMFYSA-N 1 1 467.919 4.714 50 0 JJAAMO COc1ccc(-c2c(C)oc3cc(OCC(=O)N4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000020625063 195191096 /nfs/dbraw/zinc/19/10/96/195191096.db2.gz LLJFGVGPOOIKNL-UHFFFAOYSA-N 1 1 498.579 4.500 50 0 biogenic JJAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NC3CCCCCC3)CC23CCCCC3)cc1 ZINC000020687361 195205436 /nfs/dbraw/zinc/20/54/36/195205436.db2.gz PLEUOCUIPVQTGK-UHFFFAOYSA-N 1 1 470.727 4.529 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCC[N@H+]1CCCC[C@@H]1C)C3=O ZINC000020902957 195242316 /nfs/dbraw/zinc/24/23/16/195242316.db2.gz PYLGGNNNURAQMJ-KCWXNJEJSA-N 1 1 494.680 4.578 50 0 JJAAMO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020978827 195258582 /nfs/dbraw/zinc/25/85/82/195258582.db2.gz LZISNHCCOQXLOV-NRFANRHFSA-N 1 1 479.646 4.671 50 0 JJAAMO CC(C)[N@@H+](CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)Cc1ccccc1 ZINC000020933853 195252216 /nfs/dbraw/zinc/25/22/16/195252216.db2.gz BNHDIISIAVAUSN-UHFFFAOYSA-N 1 1 459.569 4.833 50 0 JJAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000021794839 195321963 /nfs/dbraw/zinc/32/19/63/195321963.db2.gz CKXGMJHMXHZGEX-UHFFFAOYSA-N 1 1 451.596 4.937 50 0 JJAAMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000058203067 195373488 /nfs/dbraw/zinc/37/34/88/195373488.db2.gz WKOAAGPKSFBHKS-OAHLLOKOSA-N 1 1 462.388 4.535 50 0 JJAAMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000058217466 195373742 /nfs/dbraw/zinc/37/37/42/195373742.db2.gz JVZRARCVOJHXPK-XXAUWVGASA-N 1 1 465.638 4.586 50 0 JJAAMO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)Nc4ccc(F)cc4)co3)CC2)cc1 ZINC000034678038 519027543 /nfs/dbraw/zinc/02/75/43/519027543.db2.gz UUJVQHUBDGUZHE-UHFFFAOYSA-N 1 1 450.558 4.681 50 0 JJAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000014879531 519249154 /nfs/dbraw/zinc/24/91/54/519249154.db2.gz KFOILDGULDYFMK-HSZRJFAPSA-N 1 1 457.578 4.600 50 0 JJAAMO CC(C)CN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036249341 519717638 /nfs/dbraw/zinc/71/76/38/519717638.db2.gz KVJFBLZYNODJIX-UHFFFAOYSA-N 1 1 450.558 4.531 50 0 JJAAMO CC(C)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036205412 519718661 /nfs/dbraw/zinc/71/86/61/519718661.db2.gz NZWIIVPORCMWML-MRXNPFEDSA-N 1 1 464.031 4.549 50 0 JJAAMO CC(C)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)C[C@@H](O)COC(C)C ZINC000036205412 519718662 /nfs/dbraw/zinc/71/86/62/519718662.db2.gz NZWIIVPORCMWML-MRXNPFEDSA-N 1 1 464.031 4.549 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307814 519880927 /nfs/dbraw/zinc/88/09/27/519880927.db2.gz JNTLSKWNYWFSLN-QHCPKHFHSA-N 1 1 495.595 4.935 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036304473 520094614 /nfs/dbraw/zinc/09/46/14/520094614.db2.gz JFDGWYCSRWECLC-OFNKIYASSA-N 1 1 467.610 4.980 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304316 520095573 /nfs/dbraw/zinc/09/55/73/520095573.db2.gz VMNFQEKWOORIOC-QHCPKHFHSA-N 1 1 467.610 4.837 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305402 520154895 /nfs/dbraw/zinc/15/48/95/520154895.db2.gz ZXKMHTFZXLPKCB-JOCHJYFZSA-N 1 1 491.588 4.881 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036305402 520154901 /nfs/dbraw/zinc/15/49/01/520154901.db2.gz ZXKMHTFZXLPKCB-JOCHJYFZSA-N 1 1 491.588 4.881 50 0 JJAAMO CCCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)C[C@](C)(CC)OC3 ZINC000020389551 520569080 /nfs/dbraw/zinc/56/90/80/520569080.db2.gz BEGBYQPKEMIODI-QFIPXVFZSA-N 1 1 450.674 4.569 50 0 JJAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036303272 521180619 /nfs/dbraw/zinc/18/06/19/521180619.db2.gz WHYIFOYWYHPFQE-QFIPXVFZSA-N 1 1 455.574 4.976 50 0 JJAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036303272 521180628 /nfs/dbraw/zinc/18/06/28/521180628.db2.gz WHYIFOYWYHPFQE-QFIPXVFZSA-N 1 1 455.574 4.976 50 0 JJAAMO CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000016046310 521385808 /nfs/dbraw/zinc/38/58/08/521385808.db2.gz ALSGXPVWMIEKRD-OAHLLOKOSA-N 1 1 480.030 4.658 50 0 JJAAMO CCCN(C)c1cc(-c2ccccc2)nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000036038630 521512318 /nfs/dbraw/zinc/51/23/18/521512318.db2.gz BOJAGDOWIQIJTE-UHFFFAOYSA-N 1 1 475.662 4.670 50 0 JJAAMO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000014745628 521526658 /nfs/dbraw/zinc/52/66/58/521526658.db2.gz YJMUDLLWYWMUMR-UHFFFAOYSA-N 1 1 481.600 4.545 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)C[C@H](O)COC(C)C ZINC000036249898 521678610 /nfs/dbraw/zinc/67/86/10/521678610.db2.gz XYAKCLOLUWCLFI-DEOSSOPVSA-N 1 1 451.611 4.976 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000020386429 521724892 /nfs/dbraw/zinc/72/48/92/521724892.db2.gz CPRHYAMRLGSPBZ-MRXNPFEDSA-N 1 1 454.596 4.817 50 0 JJAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456480 521880937 /nfs/dbraw/zinc/88/09/37/521880937.db2.gz VGCYSZWQNZCYBG-UHFFFAOYSA-N 1 1 496.586 4.809 50 0 JJAAMO CCc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456480 521880949 /nfs/dbraw/zinc/88/09/49/521880949.db2.gz VGCYSZWQNZCYBG-UHFFFAOYSA-N 1 1 496.586 4.809 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CCOC)C[C@H](O)CC ZINC000036302677 522638522 /nfs/dbraw/zinc/63/85/22/522638522.db2.gz UNEXLLNKOORNIT-HXUWFJFHSA-N 1 1 459.537 4.725 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CCOC)C[C@H](O)CC ZINC000036302677 522638534 /nfs/dbraw/zinc/63/85/34/522638534.db2.gz UNEXLLNKOORNIT-HXUWFJFHSA-N 1 1 459.537 4.725 50 0 JJAAMO CC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000036309831 522990220 /nfs/dbraw/zinc/99/02/20/522990220.db2.gz DBNWJYYACMNNQO-NOXFTYBFSA-N 1 1 462.631 4.511 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811100 523019682 /nfs/dbraw/zinc/01/96/82/523019682.db2.gz PZKXVMUUWQJJGR-ADGLOZSKSA-N 1 1 482.669 4.798 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@H]45)cc3n2)cc1 ZINC000012370990 523105606 /nfs/dbraw/zinc/10/56/06/523105606.db2.gz PVOVSLQURVPQML-LAUBAEHRSA-N 1 1 488.510 4.845 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)c4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036205940 523171753 /nfs/dbraw/zinc/17/17/53/523171753.db2.gz LXNNJEXLYVHMLR-HXUWFJFHSA-N 1 1 479.602 4.613 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)c4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036205940 523171765 /nfs/dbraw/zinc/17/17/65/523171765.db2.gz LXNNJEXLYVHMLR-HXUWFJFHSA-N 1 1 479.602 4.613 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206304 523173414 /nfs/dbraw/zinc/17/34/14/523173414.db2.gz UZXHUALKYXWKRU-OAQYLSRUSA-N 1 1 499.677 4.828 50 0 JJAAMO CCn1c2ccccc2c2cc(NC(=O)c3nc4ccccc4nc3N3CC[NH+](C)CC3)ccc21 ZINC000033269638 523278219 /nfs/dbraw/zinc/27/82/19/523278219.db2.gz GFWYXCDDXIIZIG-UHFFFAOYSA-N 1 1 464.573 4.762 50 0 JJAAMO CN(Cc1ccc2nccnc2c1)C(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014990234 523284815 /nfs/dbraw/zinc/28/48/15/523284815.db2.gz CXNODHDRGKRMTF-MHZLTWQESA-N 1 1 452.558 4.614 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000036305071 523734404 /nfs/dbraw/zinc/73/44/04/523734404.db2.gz AMQGMVLYXDASKB-JOCHJYFZSA-N 1 1 488.028 4.767 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307456 523735170 /nfs/dbraw/zinc/73/51/70/523735170.db2.gz ZYFWGPVEVYITKH-JOCHJYFZSA-N 1 1 485.600 4.643 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036306327 523735226 /nfs/dbraw/zinc/73/52/26/523735226.db2.gz GEWGQQJGMPMAGH-QHCPKHFHSA-N 1 1 481.637 4.812 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036304680 523737215 /nfs/dbraw/zinc/73/72/15/523737215.db2.gz KFXQYYSXLIOUEC-DEOSSOPVSA-N 1 1 481.637 4.906 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036304680 523737220 /nfs/dbraw/zinc/73/72/20/523737220.db2.gz KFXQYYSXLIOUEC-DEOSSOPVSA-N 1 1 481.637 4.906 50 0 JJAAMO COCC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268813 523748747 /nfs/dbraw/zinc/74/87/47/523748747.db2.gz MJEWTKQREKFUOP-UHFFFAOYSA-N 1 1 457.958 4.864 50 0 JJAAMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268813 523748754 /nfs/dbraw/zinc/74/87/54/523748754.db2.gz MJEWTKQREKFUOP-UHFFFAOYSA-N 1 1 457.958 4.864 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccco3)C2)cc1 ZINC000036146648 523881481 /nfs/dbraw/zinc/88/14/81/523881481.db2.gz DGCCVKRRKORTGX-DHLKQENFSA-N 1 1 484.980 4.515 50 0 JJAAMO CC[C@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3cc(C)ccc3[nH]2)CC1)Cc1cccs1 ZINC000033070901 523935911 /nfs/dbraw/zinc/93/59/11/523935911.db2.gz HYDMOWWEUYLVCT-IBGZPJMESA-N 1 1 453.656 4.566 50 0 JJAAMO CC[C@H](C)[N@H+](CCNC(=O)C1CCN(c2nc3ccc(C)cc3[nH]2)CC1)Cc1cccs1 ZINC000033070901 523935916 /nfs/dbraw/zinc/93/59/16/523935916.db2.gz HYDMOWWEUYLVCT-IBGZPJMESA-N 1 1 453.656 4.566 50 0 JJAAMO CC[C@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3ccc(C)cc3[nH]2)CC1)Cc1cccs1 ZINC000033070901 523935920 /nfs/dbraw/zinc/93/59/20/523935920.db2.gz HYDMOWWEUYLVCT-IBGZPJMESA-N 1 1 453.656 4.566 50 0 JJAAMO C[N@@H+]1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2-c2nc3ccccc3s2)C1 ZINC000016837212 523995954 /nfs/dbraw/zinc/99/59/54/523995954.db2.gz QMSHTTANMJRMAQ-GOSISDBHSA-N 1 1 463.584 4.791 50 0 JJAAMO C[N@H+]1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2-c2nc3ccccc3s2)C1 ZINC000016837212 523995957 /nfs/dbraw/zinc/99/59/57/523995957.db2.gz QMSHTTANMJRMAQ-GOSISDBHSA-N 1 1 463.584 4.791 50 0 JJAAMO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1c(F)ccc(F)c1F)CC2 ZINC000014878672 524022473 /nfs/dbraw/zinc/02/24/73/524022473.db2.gz MJIILQASBUIWNK-RPWUZVMVSA-N 1 1 470.491 4.730 50 0 JJAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@@H+](C)Cc1cc3ccccc3s1)CC2 ZINC000014732687 524032625 /nfs/dbraw/zinc/03/26/25/524032625.db2.gz FUFAOMIYSZVKHH-OAQYLSRUSA-N 1 1 458.631 4.837 50 0 JJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000033059976 524216754 /nfs/dbraw/zinc/21/67/54/524216754.db2.gz RNDICVSOUWXIER-UHFFFAOYSA-N 1 1 491.636 4.785 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327334 524257555 /nfs/dbraw/zinc/25/75/55/524257555.db2.gz SZMUTNWZRZEBHI-GJZGRUSLSA-N 1 1 451.901 4.619 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327334 524257564 /nfs/dbraw/zinc/25/75/64/524257564.db2.gz SZMUTNWZRZEBHI-GJZGRUSLSA-N 1 1 451.901 4.619 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CC(C)C)C[C@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207116 524277794 /nfs/dbraw/zinc/27/77/94/524277794.db2.gz XQCLRCDODPBIAY-IBGZPJMESA-N 1 1 493.629 4.558 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207116 524277804 /nfs/dbraw/zinc/27/78/04/524277804.db2.gz XQCLRCDODPBIAY-IBGZPJMESA-N 1 1 493.629 4.558 50 0 JJAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c(C)c1 ZINC000036064040 524415089 /nfs/dbraw/zinc/41/50/89/524415089.db2.gz PCPPIUKNIRGXLB-XMMPIXPASA-N 1 1 486.616 4.926 50 0 JJAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c(C)c1 ZINC000036064040 524415097 /nfs/dbraw/zinc/41/50/97/524415097.db2.gz PCPPIUKNIRGXLB-XMMPIXPASA-N 1 1 486.616 4.926 50 0 JJAAMO C[C@H]1CCc2c(sc3nc(C[N@@H+](C[C@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000036161366 524438074 /nfs/dbraw/zinc/43/80/74/524438074.db2.gz XMOWRIKPWSDFRI-UGKGYDQZSA-N 1 1 495.689 4.822 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302280 524693948 /nfs/dbraw/zinc/69/39/48/524693948.db2.gz ACKLKDJIRUZXPG-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302123 524694113 /nfs/dbraw/zinc/69/41/13/524694113.db2.gz DHXJPRZFOFXMCB-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COCC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302123 524694121 /nfs/dbraw/zinc/69/41/21/524694121.db2.gz DHXJPRZFOFXMCB-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012325633 524746632 /nfs/dbraw/zinc/74/66/32/524746632.db2.gz ARJJYLBYHUENNS-FQEVSTJZSA-N 1 1 464.587 4.811 50 0 JJAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@@H+](C)CC4)c1 ZINC000033265609 524859343 /nfs/dbraw/zinc/85/93/43/524859343.db2.gz RXTPPPIUWGIARD-HNNXBMFYSA-N 1 1 452.580 4.653 50 0 JJAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@H+](C)CC4)c1 ZINC000033265609 524859355 /nfs/dbraw/zinc/85/93/55/524859355.db2.gz RXTPPPIUWGIARD-HNNXBMFYSA-N 1 1 452.580 4.653 50 0 JJAAMO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304480 524990050 /nfs/dbraw/zinc/99/00/50/524990050.db2.gz BOZYSCBAEINJFB-HSZRJFAPSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304480 524990064 /nfs/dbraw/zinc/99/00/64/524990064.db2.gz BOZYSCBAEINJFB-HSZRJFAPSA-N 1 1 465.594 4.732 50 0 JJAAMO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014972917 525094575 /nfs/dbraw/zinc/09/45/75/525094575.db2.gz ZEKYIJQKWJEPPC-JOCHJYFZSA-N 1 1 491.639 4.718 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000035456499 525100225 /nfs/dbraw/zinc/10/02/25/525100225.db2.gz NYLNIDHXGZSMRZ-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000035456499 525100231 /nfs/dbraw/zinc/10/02/31/525100231.db2.gz NYLNIDHXGZSMRZ-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000035456485 525245018 /nfs/dbraw/zinc/24/50/18/525245018.db2.gz HHNUGRUXCDGZDO-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccccc1NC(=O)Cn1c(=O)c2c(nc1-c1ccc(F)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000035456485 525245024 /nfs/dbraw/zinc/24/50/24/525245024.db2.gz HHNUGRUXCDGZDO-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146807 525313807 /nfs/dbraw/zinc/31/38/07/525313807.db2.gz HNZDGXOLOFUZKZ-RPBOFIJWSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146807 525313815 /nfs/dbraw/zinc/31/38/15/525313815.db2.gz HNZDGXOLOFUZKZ-RPBOFIJWSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4Br)CC3)nc(C)[nH+]2)cc1 ZINC000021793954 525322094 /nfs/dbraw/zinc/32/20/94/525322094.db2.gz GVKXOHFBFIFKBQ-UHFFFAOYSA-N 1 1 466.383 4.562 50 0 JJAAMO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c(OC)c1 ZINC000038546645 525380135 /nfs/dbraw/zinc/38/01/35/525380135.db2.gz IYKDIKNYUUBOKI-RUZDIDTESA-N 1 1 495.645 4.826 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2cccs2)C1 ZINC000021860042 525382719 /nfs/dbraw/zinc/38/27/19/525382719.db2.gz VFOOVPBBHGNPRT-PHVLTXCSSA-N 1 1 492.689 4.602 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2OC)cc1 ZINC000002449905 525396844 /nfs/dbraw/zinc/39/68/44/525396844.db2.gz XODIDTGDMYECJI-AHWVRZQESA-N 1 1 468.513 4.517 50 0 JJAAMO Cc1[nH]c2ccc(C(=O)N3CCC(Oc4ccc(C[N@H+](C)Cc5cnn(C)c5)cc4)CC3)cc2c1C ZINC000012329808 525422884 /nfs/dbraw/zinc/42/28/84/525422884.db2.gz LCSRDBOOJVCMEG-UHFFFAOYSA-N 1 1 485.632 4.834 50 0 JJAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310132 525441239 /nfs/dbraw/zinc/44/12/39/525441239.db2.gz XHBHCFTYTJAZIQ-GGAORHGYSA-N 1 1 458.668 4.599 50 0 JJAAMO Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Nc4cc(N5CCOCC5)nc(C)[nH+]4)cc3)cc2)nn1 ZINC000049026987 525473811 /nfs/dbraw/zinc/47/38/11/525473811.db2.gz PVSJRIIZDXTMGS-UHFFFAOYSA-N 1 1 497.559 4.508 50 0 JJAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2ccc3c(c12)C(=O)C[C@](C)(c1ccc(Cl)cc1)O3 ZINC000020417996 525609140 /nfs/dbraw/zinc/60/91/40/525609140.db2.gz IDLFWFREDKDZHD-HHHXNRCGSA-N 1 1 496.991 4.727 50 0 JJAAMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](CC3CC3)[C@H](C2)[C@@]42CC[C@]1(OC)[C@@H]([C@](C)(O)C(C)(C)C)C2 ZINC000049131976 525619397 /nfs/dbraw/zinc/61/93/97/525619397.db2.gz TWUKPJNGRBWVGE-VQBVJERFSA-N 1 1 481.677 4.717 50 0 in-vitro JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000033139742 525826553 /nfs/dbraw/zinc/82/65/53/525826553.db2.gz RMGRERVTGHLJHK-UHFFFAOYSA-N 1 1 472.568 4.704 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146611 526290842 /nfs/dbraw/zinc/29/08/42/526290842.db2.gz LRGYSYKCDRFIPL-ZCYQVOJMSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146611 526290848 /nfs/dbraw/zinc/29/08/48/526290848.db2.gz LRGYSYKCDRFIPL-ZCYQVOJMSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146528 526291077 /nfs/dbraw/zinc/29/10/77/526291077.db2.gz XOYBHBJCMBJACM-ZCYQVOJMSA-N 1 1 450.966 4.775 50 0 JJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc(O)cc1 ZINC000012282632 526418381 /nfs/dbraw/zinc/41/83/81/526418381.db2.gz JIRIJUMGTCCZHX-RPBOFIJWSA-N 1 1 468.569 4.765 50 0 JJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc(O)cc1 ZINC000012282632 526418395 /nfs/dbraw/zinc/41/83/95/526418395.db2.gz JIRIJUMGTCCZHX-RPBOFIJWSA-N 1 1 468.569 4.765 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)Nc1cccnc1Cl ZINC000033069237 526649486 /nfs/dbraw/zinc/64/94/86/526649486.db2.gz GOZXZTCYRCZNCD-UHFFFAOYSA-N 1 1 458.349 4.632 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)Nc1cccnc1Cl ZINC000033069237 526649492 /nfs/dbraw/zinc/64/94/92/526649492.db2.gz GOZXZTCYRCZNCD-UHFFFAOYSA-N 1 1 458.349 4.632 50 0 JJAAMO O=C(NCc1ccccc1F)c1ccc(N2CCC([N@H+]3CCOc4ccccc4C3)CC2)cc1 ZINC000014996204 526752179 /nfs/dbraw/zinc/75/21/79/526752179.db2.gz WQQZCHWBTVACSA-UHFFFAOYSA-N 1 1 459.565 4.619 50 0 JJAAMO Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000046141382 526864329 /nfs/dbraw/zinc/86/43/29/526864329.db2.gz NDBVKYLORDXDJA-UHFFFAOYSA-N 1 1 490.626 4.552 50 0 JJAAMO Cc1sc2[nH]c(C[NH2+][C@H](CN3CCOCC3)c3ccc(C)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000022788897 526893999 /nfs/dbraw/zinc/89/39/99/526893999.db2.gz VNLXSAFVGNFSQB-HSZRJFAPSA-N 1 1 488.657 4.740 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000014992172 527125863 /nfs/dbraw/zinc/12/58/63/527125863.db2.gz RMLLXQSFOWVYOX-UHFFFAOYSA-N 1 1 485.531 4.885 50 0 JJAAMO O=c1nc(N2CC[NH+](C3CCCCC3)CC2)[nH]c2c(-c3ccc(Br)cc3)csc21 ZINC000048990055 527440241 /nfs/dbraw/zinc/44/02/41/527440241.db2.gz QGUWGISPURUSHY-UHFFFAOYSA-N 1 1 473.440 4.869 50 0 JJAAMO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)c12 ZINC000020516810 527523168 /nfs/dbraw/zinc/52/31/68/527523168.db2.gz LMJGRIFFJHNXTC-DEOSSOPVSA-N 1 1 467.617 4.906 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146688 527660783 /nfs/dbraw/zinc/66/07/83/527660783.db2.gz LOOJVVAKQXTBNJ-NOZRDPDXSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146688 527660788 /nfs/dbraw/zinc/66/07/88/527660788.db2.gz LOOJVVAKQXTBNJ-NOZRDPDXSA-N 1 1 468.956 4.914 50 0 JJAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000012204896 527665367 /nfs/dbraw/zinc/66/53/67/527665367.db2.gz POPOVZBWAJLNSS-QFIPXVFZSA-N 1 1 455.046 4.612 50 0 JJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611149 527667975 /nfs/dbraw/zinc/66/79/75/527667975.db2.gz NDXBOHHOVACSNB-UHFFFAOYSA-N 1 1 486.591 4.694 50 0 JJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515301 527674493 /nfs/dbraw/zinc/67/44/93/527674493.db2.gz JFZIGSQNDQRLCN-YTTGMZPUSA-N 1 1 471.022 4.560 50 0 JJAAMO FC(F)(F)c1cc(NC(=S)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000020412847 527680572 /nfs/dbraw/zinc/68/05/72/527680572.db2.gz UVXSBFGZBVISCS-KRWDZBQOSA-N 1 1 469.495 4.998 50 0 JJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 ZINC000000635824 553720956 /nfs/dbraw/zinc/72/09/56/553720956.db2.gz SRMFKPUFIGVFKI-IZZNHLLZSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000000843554 553794246 /nfs/dbraw/zinc/79/42/46/553794246.db2.gz NVOFCQQDDIVHLH-CLJLJLNGSA-N 1 1 468.513 4.517 50 0 JJAAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000941039 553876723 /nfs/dbraw/zinc/87/67/23/553876723.db2.gz OOIBKBZFKWZNSV-OAHLLOKOSA-N 1 1 463.173 4.886 50 0 JJAAMO Cc1[nH+]ccn1C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000000941038 553876735 /nfs/dbraw/zinc/87/67/35/553876735.db2.gz OOIBKBZFKWZNSV-HNNXBMFYSA-N 1 1 463.173 4.886 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002209110 554094103 /nfs/dbraw/zinc/09/41/03/554094103.db2.gz XMWDWNVYGJCIMZ-KAYWLYCHSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2C)N2NC=NC2=[NH+]3)c1OC ZINC000002209577 554094442 /nfs/dbraw/zinc/09/44/42/554094442.db2.gz MYYOQCDOAZWELE-AHWVRZQESA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002249548 554113785 /nfs/dbraw/zinc/11/37/85/554113785.db2.gz LGEWCPPNDNDXHC-FTJBHMTQSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002395492 554182269 /nfs/dbraw/zinc/18/22/69/554182269.db2.gz XRVFKZFVPOGUSI-KAYWLYCHSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002395443 554182285 /nfs/dbraw/zinc/18/22/85/554182285.db2.gz WVCQTKVTKZRGET-FTJBHMTQSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc(C(=O)c2cnc3ccc(F)cc3c2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000002713139 554298755 /nfs/dbraw/zinc/29/87/55/554298755.db2.gz QWMCEVVKIGFDJP-UHFFFAOYSA-N 1 1 455.533 4.936 50 0 JJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000002738094 554320195 /nfs/dbraw/zinc/32/01/95/554320195.db2.gz MJJOOAJVLYCVGG-IBGZPJMESA-N 1 1 463.481 4.781 50 0 JJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000002738094 554320198 /nfs/dbraw/zinc/32/01/98/554320198.db2.gz MJJOOAJVLYCVGG-IBGZPJMESA-N 1 1 463.481 4.781 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000003657941 554469331 /nfs/dbraw/zinc/46/93/31/554469331.db2.gz ZONPMJINROAUIX-IZLXSDGUSA-N 1 1 485.628 4.634 50 0 JJAAMO CCCC[N@@H+](CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000008812940 554694827 /nfs/dbraw/zinc/69/48/27/554694827.db2.gz BYBCNVMOLSVNQW-FQEVSTJZSA-N 1 1 459.993 4.641 50 0 JJAAMO Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)o1 ZINC000009115486 554902328 /nfs/dbraw/zinc/90/23/28/554902328.db2.gz MWRJFCHLJXJNFD-YTTGMZPUSA-N 1 1 452.620 4.926 50 0 JJAAMO Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000009115483 554902389 /nfs/dbraw/zinc/90/23/89/554902389.db2.gz XSGCOJOJMSXEGO-XIFFEERXSA-N 1 1 464.631 4.580 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227836 555001037 /nfs/dbraw/zinc/00/10/37/555001037.db2.gz CKPRCYHFDFEVOD-QHCPKHFHSA-N 1 1 495.668 4.509 50 0 JJAAMO CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000009251651 555026050 /nfs/dbraw/zinc/02/60/50/555026050.db2.gz APUJIWJYFIULBB-QFIPXVFZSA-N 1 1 469.589 4.912 50 0 JJAAMO Cc1ccc2c(c1)C1=C([C@H](c3cccc(Br)c3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009292417 555067936 /nfs/dbraw/zinc/06/79/36/555067936.db2.gz IBLCYIZFQUGTTK-GOTSBHOMSA-N 1 1 472.346 4.957 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000009344455 555109831 /nfs/dbraw/zinc/10/98/31/555109831.db2.gz DVAKGWANPZDCGT-FTJBHMTQSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000009345510 555111622 /nfs/dbraw/zinc/11/16/22/555111622.db2.gz LWZCZYMEOOGVPY-LOSJGSFVSA-N 1 1 456.477 4.647 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCN(Cc3c(C)nc4ccc(C)cn43)CC2)n1 ZINC000009516450 555308294 /nfs/dbraw/zinc/30/82/94/555308294.db2.gz UGUWQLZQDHWMMA-UHFFFAOYSA-N 1 1 491.709 4.737 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)n2)cc1OC ZINC000013367204 555389452 /nfs/dbraw/zinc/38/94/52/555389452.db2.gz LTVXNNCFFAEEFV-HXUWFJFHSA-N 1 1 464.566 4.728 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C(C)C)cc4)C3)n2)cc1OC ZINC000013367204 555389455 /nfs/dbraw/zinc/38/94/55/555389455.db2.gz LTVXNNCFFAEEFV-HXUWFJFHSA-N 1 1 464.566 4.728 50 0 JJAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 ZINC000009671553 555391492 /nfs/dbraw/zinc/39/14/92/555391492.db2.gz PLKARSFBTKYMRD-OAQYLSRUSA-N 1 1 492.428 4.827 50 0 JJAAMO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000009674032 555398636 /nfs/dbraw/zinc/39/86/36/555398636.db2.gz VZMNVUPGADIXKV-UHFFFAOYSA-N 1 1 482.628 4.787 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674070 555398748 /nfs/dbraw/zinc/39/87/48/555398748.db2.gz FPIFIPOPJZAZRM-UHFFFAOYSA-N 1 1 450.627 4.850 50 0 JJAAMO COc1ccc(Nc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000009680662 555408592 /nfs/dbraw/zinc/40/85/92/555408592.db2.gz CHRHIOUYJQOIKT-UHFFFAOYSA-N 1 1 470.573 4.857 50 0 JJAAMO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c12 ZINC000009610390 555440740 /nfs/dbraw/zinc/44/07/40/555440740.db2.gz WXXJETRHAXMASJ-GOSISDBHSA-N 1 1 452.002 4.685 50 0 JJAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000009731551 555468760 /nfs/dbraw/zinc/46/87/60/555468760.db2.gz QMYJHUVJHVYEIQ-UHFFFAOYSA-N 1 1 498.645 4.684 50 0 JJAAMO COc1ccc(-n2ncc(C(=O)N3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)c2C)cc1 ZINC000019835160 555506892 /nfs/dbraw/zinc/50/68/92/555506892.db2.gz VYWBJAJEPKYLGR-UHFFFAOYSA-N 1 1 464.569 4.717 50 0 JJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)COc4ccc(OC)cc4)CC3)ccc21 ZINC000019889230 555528767 /nfs/dbraw/zinc/52/87/67/555528767.db2.gz VMXQZWRKVFDITE-UHFFFAOYSA-N 1 1 457.574 4.546 50 0 JJAAMO O=C(C[C@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000019892882 555531360 /nfs/dbraw/zinc/53/13/60/555531360.db2.gz OPPFZFOPQUUNEH-HXUWFJFHSA-N 1 1 479.580 4.858 50 0 JJAAMO Cc1cccc([C@H]2C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)c1 ZINC000019920708 555539614 /nfs/dbraw/zinc/53/96/14/555539614.db2.gz UKPBKCPVFFLQMK-NDEPHWFRSA-N 1 1 477.612 4.978 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)sc2c1 ZINC000009848154 555550299 /nfs/dbraw/zinc/55/02/99/555550299.db2.gz BCLKQHHNVNWSIB-ZCNNSNEGSA-N 1 1 458.672 4.681 50 0 JJAAMO COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(CCC[NH+]4CCOCC4)c(=N)c32)cc1 ZINC000013779284 555618154 /nfs/dbraw/zinc/61/81/54/555618154.db2.gz MBWFNDJRPFSHPU-RUZDIDTESA-N 1 1 482.584 4.533 50 0 JJAAMO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCC[N@H+](C)Cc3ccccc3)cc12 ZINC000020104901 555637768 /nfs/dbraw/zinc/63/77/68/555637768.db2.gz SISNSLXMOMAANE-UHFFFAOYSA-N 1 1 487.648 4.500 50 0 JJAAMO Cc1cc(N2CCN(c3cccc(C)[nH+]3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000010383603 555702883 /nfs/dbraw/zinc/70/28/83/555702883.db2.gz KDTXSJKFYKCZIY-UHFFFAOYSA-N 1 1 452.484 4.754 50 0 JJAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2ccccc2)cc1 ZINC000014189073 555728338 /nfs/dbraw/zinc/72/83/38/555728338.db2.gz FARAWFDAGNOCHA-MHZLTWQESA-N 1 1 457.574 4.685 50 0 JJAAMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241421 555736811 /nfs/dbraw/zinc/73/68/11/555736811.db2.gz CXRHZOAHPAZNFT-BVFJVTDLSA-N 1 1 466.453 4.624 50 0 JJAAMO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014242388 555744358 /nfs/dbraw/zinc/74/43/58/555744358.db2.gz CDHCBXCZTHDYAG-HSZRJFAPSA-N 1 1 459.615 4.730 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2cccc(F)c2)CC1 ZINC000020289749 555761253 /nfs/dbraw/zinc/76/12/53/555761253.db2.gz VSUSTPSHWLVZQP-MHECFPHRSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000020289783 555761333 /nfs/dbraw/zinc/76/13/33/555761333.db2.gz SUHYOOVCVIUZCH-SIBVEZHUSA-N 1 1 467.610 4.507 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)C1 ZINC000014529829 555816941 /nfs/dbraw/zinc/81/69/41/555816941.db2.gz DSKBECRHPYNPKR-CALCHBBNSA-N 1 1 453.612 4.617 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)C1 ZINC000014529829 555816943 /nfs/dbraw/zinc/81/69/43/555816943.db2.gz DSKBECRHPYNPKR-CALCHBBNSA-N 1 1 453.612 4.617 50 0 JJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)n2)C1 ZINC000014529830 555817027 /nfs/dbraw/zinc/81/70/27/555817027.db2.gz DSKBECRHPYNPKR-IRXDYDNUSA-N 1 1 453.612 4.617 50 0 JJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cccc(C)c3)C2)cc1 ZINC000011789835 555824865 /nfs/dbraw/zinc/82/48/65/555824865.db2.gz RFIDSAZTRJHIKO-FTJBHMTQSA-N 1 1 486.641 4.703 50 0 JJAAMO Cc1c(O)ccc2c(C)c(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc12 ZINC000020573693 555825213 /nfs/dbraw/zinc/82/52/13/555825213.db2.gz HTKBZBYYKPUKDU-UHFFFAOYSA-N 1 1 496.607 4.982 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)n2)cc1OC ZINC000020574548 555829106 /nfs/dbraw/zinc/82/91/06/555829106.db2.gz RMGKTQYZSAOONQ-UHFFFAOYSA-N 1 1 490.482 4.623 50 0 JJAAMO COc1cc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1OC ZINC000015000465 555844996 /nfs/dbraw/zinc/84/49/96/555844996.db2.gz HAHFMPVKDDTNAC-FQEVSTJZSA-N 1 1 468.623 4.513 50 0 JJAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000015002601 555847560 /nfs/dbraw/zinc/84/75/60/555847560.db2.gz LLLHGPBQTLHHGV-UHFFFAOYSA-N 1 1 485.481 4.752 50 0 JJAAMO C[N@@H+](CC[C@@H]1CCCCO1)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000015005046 555849844 /nfs/dbraw/zinc/84/98/44/555849844.db2.gz KDOZSDQEEQHRMA-NDEPHWFRSA-N 1 1 461.650 4.745 50 0 JJAAMO C[N@@H+](CC[C@H]1CCCCO1)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000015005049 555849904 /nfs/dbraw/zinc/84/99/04/555849904.db2.gz KDOZSDQEEQHRMA-MUUNZHRXSA-N 1 1 461.650 4.745 50 0 JJAAMO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c(OC)c1 ZINC000012034359 555887959 /nfs/dbraw/zinc/88/79/59/555887959.db2.gz APTAOSPBOZKDQR-GCJKJVERSA-N 1 1 462.512 4.736 50 0 JJAAMO CC(C)NC(=O)c1ccc(-c2csc3ccccc23)nc1N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000012034601 555888263 /nfs/dbraw/zinc/88/82/63/555888263.db2.gz HFMXGNGKSBENAV-FQEVSTJZSA-N 1 1 492.689 4.775 50 0 JJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000015276449 555891980 /nfs/dbraw/zinc/89/19/80/555891980.db2.gz RMEBLBDZRGUWLZ-PXNSSMCTSA-N 1 1 458.484 4.836 50 0 JJAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012062785 555900630 /nfs/dbraw/zinc/90/06/30/555900630.db2.gz OLBDKQSZIVUONR-GBXCKJPGSA-N 1 1 458.489 4.907 50 0 JJAAMO CCN1CCC[C@@H](C[N@H+](C)C2CCN(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CC2)C1 ZINC000012152396 555926049 /nfs/dbraw/zinc/92/60/49/555926049.db2.gz ULXRAQFOZAVJIO-QFIPXVFZSA-N 1 1 464.654 4.580 50 0 JJAAMO CCN1CCC[C@@H](C[N@@H+](C)C2CCN(c3ccc(NC(=O)c4ccc(OC)cc4)cc3)CC2)C1 ZINC000012152396 555926051 /nfs/dbraw/zinc/92/60/51/555926051.db2.gz ULXRAQFOZAVJIO-QFIPXVFZSA-N 1 1 464.654 4.580 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3noc4c3CSc3ccccc3-4)C[C@H]2C)c1 ZINC000015674051 555932939 /nfs/dbraw/zinc/93/29/39/555932939.db2.gz BGLZYGCKTBUZDJ-LJQANCHMSA-N 1 1 462.619 4.586 50 0 JJAAMO O=C(NCc1cnc2ccccc2c1)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)[nH]c1=O ZINC000012182313 555935395 /nfs/dbraw/zinc/93/53/95/555935395.db2.gz WZPWABAXAULNMF-HSZRJFAPSA-N 1 1 466.585 4.623 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000012242369 555945522 /nfs/dbraw/zinc/94/55/22/555945522.db2.gz RADNLJYTVBAMBX-QPPBQGQZSA-N 1 1 490.604 4.762 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(F)cc1 ZINC000012242369 555945525 /nfs/dbraw/zinc/94/55/25/555945525.db2.gz RADNLJYTVBAMBX-QPPBQGQZSA-N 1 1 490.604 4.762 50 0 JJAAMO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022936077 555988518 /nfs/dbraw/zinc/98/85/18/555988518.db2.gz USZMJNUCTVKNJX-JPNWQNGZSA-N 1 1 460.662 4.712 50 0 JJAAMO COc1ccc(CC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023181482 556028131 /nfs/dbraw/zinc/02/81/31/556028131.db2.gz YDZRGINZHUQZKC-BCHFMIIMSA-N 1 1 467.610 4.507 50 0 JJAAMO COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000023336333 556046202 /nfs/dbraw/zinc/04/62/02/556046202.db2.gz ULEPVJFZOWOONJ-LJQANCHMSA-N 1 1 458.606 4.845 50 0 JJAAMO COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cc3)n[nH]c1-2 ZINC000023336333 556046204 /nfs/dbraw/zinc/04/62/04/556046204.db2.gz ULEPVJFZOWOONJ-LJQANCHMSA-N 1 1 458.606 4.845 50 0 JJAAMO COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc3)n[nH]c1-2 ZINC000023336333 556046206 /nfs/dbraw/zinc/04/62/06/556046206.db2.gz ULEPVJFZOWOONJ-LJQANCHMSA-N 1 1 458.606 4.845 50 0 JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000015955265 556088098 /nfs/dbraw/zinc/08/80/98/556088098.db2.gz KRSBANZBOANWDS-VYCLJVNGSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000015955265 556088100 /nfs/dbraw/zinc/08/81/00/556088100.db2.gz KRSBANZBOANWDS-VYCLJVNGSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO Cc1ccc(C)c(S(=O)(=O)N(Cc2cccs2)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000023968523 556109338 /nfs/dbraw/zinc/10/93/38/556109338.db2.gz ZLMIVIWIQAOHOZ-UHFFFAOYSA-N 1 1 456.633 4.593 50 0 JJAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000024067916 556118283 /nfs/dbraw/zinc/11/82/83/556118283.db2.gz SOESFIDZUKZNBK-UHFFFAOYSA-N 1 1 461.978 4.894 50 0 JJAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000024067916 556118286 /nfs/dbraw/zinc/11/82/86/556118286.db2.gz SOESFIDZUKZNBK-UHFFFAOYSA-N 1 1 461.978 4.894 50 0 JJAAMO Cc1ccsc1C[N@@H+](C)CC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000012913587 556132774 /nfs/dbraw/zinc/13/27/74/556132774.db2.gz DOTCKWUJYSUMPA-UHFFFAOYSA-N 1 1 462.619 4.577 50 0 JJAAMO Cc1ccsc1C[N@H+](C)CC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C ZINC000012913587 556132780 /nfs/dbraw/zinc/13/27/80/556132780.db2.gz DOTCKWUJYSUMPA-UHFFFAOYSA-N 1 1 462.619 4.577 50 0 JJAAMO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)n2)cc1 ZINC000024660962 556144748 /nfs/dbraw/zinc/14/47/48/556144748.db2.gz OGNOJPKAAVBICF-UHFFFAOYSA-N 1 1 465.907 4.867 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025034411 556172829 /nfs/dbraw/zinc/17/28/29/556172829.db2.gz PHXUMJZDJGJSIA-KRWDZBQOSA-N 1 1 485.053 4.993 50 0 JJAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957642 556188945 /nfs/dbraw/zinc/18/89/45/556188945.db2.gz NCKKYGLSEXQYJW-KUHUBIRLSA-N 1 1 451.857 4.947 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000017012573 556202335 /nfs/dbraw/zinc/20/23/35/556202335.db2.gz FSFFMVBHDKZWSK-UHFFFAOYSA-N 1 1 471.483 4.518 50 0 JJAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184766 556204001 /nfs/dbraw/zinc/20/40/01/556204001.db2.gz GLZLEXLSPBJSHG-IAPPQJPRSA-N 1 1 471.004 4.996 50 0 JJAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000013015100 556206261 /nfs/dbraw/zinc/20/62/61/556206261.db2.gz HBWNMPNBDZILQW-GOSISDBHSA-N 1 1 459.512 4.658 50 0 JJAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000013015100 556206264 /nfs/dbraw/zinc/20/62/64/556206264.db2.gz HBWNMPNBDZILQW-GOSISDBHSA-N 1 1 459.512 4.658 50 0 JJAAMO FC(F)(F)c1nc2c(cnn2-c2ccccc2)c(N2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000013016891 556208898 /nfs/dbraw/zinc/20/88/98/556208898.db2.gz YRWBGNIWKJURAA-JXMROGBWSA-N 1 1 464.495 4.670 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000017042582 556209145 /nfs/dbraw/zinc/20/91/45/556209145.db2.gz AFKRXIRCCMXQPQ-UHFFFAOYSA-N 1 1 455.484 4.818 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc5cccc6c5c4CC6)CC3)n2)cc1 ZINC000017042712 556209345 /nfs/dbraw/zinc/20/93/45/556209345.db2.gz BQUNYXAPMIBZGP-UHFFFAOYSA-N 1 1 499.640 4.600 50 0 JJAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013068245 556264380 /nfs/dbraw/zinc/26/43/80/556264380.db2.gz UCWWVZZRWWWKGO-QHCPKHFHSA-N 1 1 452.345 4.892 50 0 JJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000027357622 556276923 /nfs/dbraw/zinc/27/69/23/556276923.db2.gz VMRVTQMCDDYUQC-JOCHJYFZSA-N 1 1 461.587 4.616 50 0 JJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000027357622 556276926 /nfs/dbraw/zinc/27/69/26/556276926.db2.gz VMRVTQMCDDYUQC-JOCHJYFZSA-N 1 1 461.587 4.616 50 0 JJAAMO Cc1cc(C(=O)C[N@H+](C)Cc2ccc(C)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013097101 556292989 /nfs/dbraw/zinc/29/29/89/556292989.db2.gz VPMHZUDROREMFM-UHFFFAOYSA-N 1 1 456.590 4.515 50 0 JJAAMO Cc1cc(C(=O)C[N@@H+](C)Cc2ccc(C)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000013097101 556292991 /nfs/dbraw/zinc/29/29/91/556292991.db2.gz VPMHZUDROREMFM-UHFFFAOYSA-N 1 1 456.590 4.515 50 0 JJAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288438 556327591 /nfs/dbraw/zinc/32/75/91/556327591.db2.gz YCJKDLJMGSHFPI-NRFANRHFSA-N 1 1 454.954 4.720 50 0 JJAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000028290183 556328212 /nfs/dbraw/zinc/32/82/12/556328212.db2.gz WEVYTFVLQUWYJY-INIZCTEOSA-N 1 1 461.381 4.574 50 0 JJAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028290168 556328249 /nfs/dbraw/zinc/32/82/49/556328249.db2.gz AQJXMNCNUVRJEU-MRXNPFEDSA-N 1 1 461.381 4.574 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000029192975 556348872 /nfs/dbraw/zinc/34/88/72/556348872.db2.gz MHLMRLATDXMWAF-RUZDIDTESA-N 1 1 477.674 4.981 50 0 JJAAMO CC[C@@H](C)[C@@H]([NH3+])C(=O)Oc1cc(C)c2c(c1)oc(C(F)(F)F)c(-c1csc(C)n1)c2=O ZINC000019703009 556360612 /nfs/dbraw/zinc/36/06/12/556360612.db2.gz XBKYVZZJIBKQJH-VVVCHXIZSA-N 1 1 454.470 4.831 50 0 biogenic JJAAMO c1cn(-c2ncccc2CNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)cn1 ZINC000030587499 556367794 /nfs/dbraw/zinc/36/77/94/556367794.db2.gz YZQGIIRLAULEAH-UHFFFAOYSA-N 1 1 459.623 4.749 50 0 JJAAMO CC(=O)c1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793733 556373027 /nfs/dbraw/zinc/37/30/27/556373027.db2.gz SMDQRLHCJGWMFK-UHFFFAOYSA-N 1 1 465.597 4.946 50 0 JJAAMO O=C(CSc1nnc(C2CCCCC2)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000032745368 556483387 /nfs/dbraw/zinc/48/33/87/556483387.db2.gz NVXIHMMPPWVEIE-UHFFFAOYSA-N 1 1 450.608 4.707 50 0 JJAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000032753403 556486302 /nfs/dbraw/zinc/48/63/02/556486302.db2.gz RRHWPWNKUJWVSB-UHFFFAOYSA-N 1 1 455.949 4.833 50 0 JJAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000032753403 556486304 /nfs/dbraw/zinc/48/63/04/556486304.db2.gz RRHWPWNKUJWVSB-UHFFFAOYSA-N 1 1 455.949 4.833 50 0 JJAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2CSc2nc3ccccc3s2)C1 ZINC000032819186 556503726 /nfs/dbraw/zinc/50/37/26/556503726.db2.gz AVOFDHYLLJMYDZ-IBGZPJMESA-N 1 1 455.649 4.675 50 0 JJAAMO Nc1nc2c(s1)CN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)CC2 ZINC000032916213 556540276 /nfs/dbraw/zinc/54/02/76/556540276.db2.gz QHZJDHCISMIMOL-UHFFFAOYSA-N 1 1 462.648 4.946 50 0 JJAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953156 556568388 /nfs/dbraw/zinc/56/83/88/556568388.db2.gz QDMTUVPFQDFVMD-UHFFFAOYSA-N 1 1 471.992 4.502 50 0 JJAAMO COc1ccc(-c2coc3cc(OCC[NH+]4CCN(c5ccccc5)CC4)ccc3c2=O)cc1OC ZINC000054307082 569589952 /nfs/dbraw/zinc/58/99/52/569589952.db2.gz XTTDHLSTGXHLOW-UHFFFAOYSA-N 1 1 486.568 4.678 50 0 biogenic JJAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000057281235 569595487 /nfs/dbraw/zinc/59/54/87/569595487.db2.gz JDHIVXDMRGACOC-AREMUKBSSA-N 1 1 471.557 4.754 50 0 JJAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000057318539 569598626 /nfs/dbraw/zinc/59/86/26/569598626.db2.gz UAJKATHHHYZFFG-QHCPKHFHSA-N 1 1 454.473 4.701 50 0 JJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000057362763 569599394 /nfs/dbraw/zinc/59/93/94/569599394.db2.gz BPBARBUVWPQNME-OAHLLOKOSA-N 1 1 451.910 4.610 50 0 JJAAMO COc1cc(OC)c(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1Cl ZINC000033326793 569623967 /nfs/dbraw/zinc/62/39/67/569623967.db2.gz WXXAOSVLLBDSME-UHFFFAOYSA-N 1 1 496.999 4.862 50 0 JJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801907 569631511 /nfs/dbraw/zinc/63/15/11/569631511.db2.gz XWJUTTGQOOAYIR-UHFFFAOYSA-N 1 1 457.987 4.973 50 0 JJAAMO Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cc1 ZINC000034676822 569641648 /nfs/dbraw/zinc/64/16/48/569641648.db2.gz AYTBGDXYIKLPMC-UHFFFAOYSA-N 1 1 493.011 4.573 50 0 JJAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)CC1 ZINC000065054982 569653844 /nfs/dbraw/zinc/65/38/44/569653844.db2.gz WQVLMDJWWUJFBA-UHFFFAOYSA-N 1 1 493.627 4.822 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034829616 569663114 /nfs/dbraw/zinc/66/31/14/569663114.db2.gz ZMXQAMLTFFRSJD-IDISGSTGSA-N 1 1 467.679 4.725 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)C[C@@H]1C ZINC000034829616 569663116 /nfs/dbraw/zinc/66/31/16/569663116.db2.gz ZMXQAMLTFFRSJD-IDISGSTGSA-N 1 1 467.679 4.725 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000034829624 569663172 /nfs/dbraw/zinc/66/31/72/569663172.db2.gz YDPVSVGGKWZDAA-ULKKMRMTSA-N 1 1 499.680 4.559 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000034829624 569663174 /nfs/dbraw/zinc/66/31/74/569663174.db2.gz YDPVSVGGKWZDAA-ULKKMRMTSA-N 1 1 499.680 4.559 50 0 JJAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1)C1CCCCC1 ZINC000065102680 569664406 /nfs/dbraw/zinc/66/44/06/569664406.db2.gz VSWPDLOSQYPTRK-UHFFFAOYSA-N 1 1 467.683 4.615 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1)Cc1ccccc1 ZINC000035398156 569688890 /nfs/dbraw/zinc/68/88/90/569688890.db2.gz MZOTZJVQUDQVLC-AREMUKBSSA-N 1 1 471.649 4.697 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)CC2)cc1 ZINC000071793461 569698442 /nfs/dbraw/zinc/69/84/42/569698442.db2.gz QNPWPIURSIXVIU-ZEQRLZLVSA-N 1 1 477.649 4.511 50 0 JJAAMO COc1ccc(Nc2nc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc3occc32)cc1 ZINC000035559822 569704003 /nfs/dbraw/zinc/70/40/03/569704003.db2.gz JVASDSAFUACWPL-UHFFFAOYSA-N 1 1 456.546 4.758 50 0 JJAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccc(Br)cc1 ZINC000035843551 569714285 /nfs/dbraw/zinc/71/42/85/569714285.db2.gz VNFQDQOBRVDLLC-HSZRJFAPSA-N 1 1 493.467 4.570 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000085875716 569715904 /nfs/dbraw/zinc/71/59/04/569715904.db2.gz RKHXIEMOEUVJMB-GPUOULLFSA-N 1 1 451.655 4.576 50 0 biogenic JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000035872067 569719100 /nfs/dbraw/zinc/71/91/00/569719100.db2.gz QJGVQPAASSNLOY-SHQCIBLASA-N 1 1 494.010 4.667 50 0 JJAAMO CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N2CC[NH+](CC)CC2)CC(C)C)n1 ZINC000095537713 569726022 /nfs/dbraw/zinc/72/60/22/569726022.db2.gz AWBCRRXRAFSVRF-UHFFFAOYSA-N 1 1 466.457 4.516 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3cccc(OC)c3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000095597798 569727874 /nfs/dbraw/zinc/72/78/74/569727874.db2.gz GVGYFQFYDHRDTP-UHFFFAOYSA-N 1 1 468.601 4.774 50 0 JJAAMO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CC[NH+](Cc4ccco4)CC3)c12 ZINC000035924699 569728207 /nfs/dbraw/zinc/72/82/07/569728207.db2.gz ZCWYSCLKJSNOOO-UHFFFAOYSA-N 1 1 478.600 4.938 50 0 JJAAMO Cc1cccc(-n2c(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)nnc2-c2ccco2)c1 ZINC000095925560 569730222 /nfs/dbraw/zinc/73/02/22/569730222.db2.gz SWNKNNVCYGGXEH-UHFFFAOYSA-N 1 1 473.602 4.516 50 0 JJAAMO CC(=O)Nc1cccc([C@@H](C)[N@H+](Cc2ccccc2)Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000095947045 569731069 /nfs/dbraw/zinc/73/10/69/569731069.db2.gz RHVIFBZZDNQDFM-HXUWFJFHSA-N 1 1 465.619 4.659 50 0 JJAAMO CC(=O)Nc1cccc([C@@H](C)[N@@H+](Cc2ccccc2)Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000095947045 569731070 /nfs/dbraw/zinc/73/10/70/569731070.db2.gz RHVIFBZZDNQDFM-HXUWFJFHSA-N 1 1 465.619 4.659 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991480 569744544 /nfs/dbraw/zinc/74/45/44/569744544.db2.gz VFWAMBAKCPLPOC-QFIPXVFZSA-N 1 1 475.511 4.741 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991480 569744545 /nfs/dbraw/zinc/74/45/45/569744545.db2.gz VFWAMBAKCPLPOC-QFIPXVFZSA-N 1 1 475.511 4.741 50 0 JJAAMO COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2C)cc1 ZINC000036041042 569753670 /nfs/dbraw/zinc/75/36/70/569753670.db2.gz ZHHGQZRTDHZJNM-VWLOTQADSA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036041042 569753671 /nfs/dbraw/zinc/75/36/71/569753671.db2.gz ZHHGQZRTDHZJNM-VWLOTQADSA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042998 569754468 /nfs/dbraw/zinc/75/44/68/569754468.db2.gz ZDBULOYQODXNSB-GDJIYFAZSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042998 569754469 /nfs/dbraw/zinc/75/44/69/569754469.db2.gz ZDBULOYQODXNSB-GDJIYFAZSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000036043084 569754572 /nfs/dbraw/zinc/75/45/72/569754572.db2.gz YEAXIPIGHGELID-WINIVTDRSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000036043084 569754573 /nfs/dbraw/zinc/75/45/73/569754573.db2.gz YEAXIPIGHGELID-WINIVTDRSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043085 569754590 /nfs/dbraw/zinc/75/45/90/569754590.db2.gz JDMVDZFRSMFIBY-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043085 569754591 /nfs/dbraw/zinc/75/45/91/569754591.db2.gz JDMVDZFRSMFIBY-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043102 569754635 /nfs/dbraw/zinc/75/46/35/569754635.db2.gz ZJXOVCGGJLJHML-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043102 569754636 /nfs/dbraw/zinc/75/46/36/569754636.db2.gz ZJXOVCGGJLJHML-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO CC[C@@H](NC(=O)NC(C)(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048485 569755991 /nfs/dbraw/zinc/75/59/91/569755991.db2.gz NDQCCZHVDTVBFU-ZJSXRUAMSA-N 1 1 457.590 4.819 50 0 JJAAMO CC[C@@H](NC(=O)NC(C)(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048485 569755993 /nfs/dbraw/zinc/75/59/93/569755993.db2.gz NDQCCZHVDTVBFU-ZJSXRUAMSA-N 1 1 457.590 4.819 50 0 JJAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313911 569761309 /nfs/dbraw/zinc/76/13/09/569761309.db2.gz BRIJXDYTKDHOMY-QHCPKHFHSA-N 1 1 467.610 4.981 50 0 JJAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313911 569761310 /nfs/dbraw/zinc/76/13/10/569761310.db2.gz BRIJXDYTKDHOMY-QHCPKHFHSA-N 1 1 467.610 4.981 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313945 569761664 /nfs/dbraw/zinc/76/16/64/569761664.db2.gz HWUHCAXEOGXAOP-HSZRJFAPSA-N 1 1 497.636 4.514 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036316405 569762803 /nfs/dbraw/zinc/76/28/03/569762803.db2.gz IKLSPLFGMMQDLG-HSZRJFAPSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036316405 569762804 /nfs/dbraw/zinc/76/28/04/569762804.db2.gz IKLSPLFGMMQDLG-HSZRJFAPSA-N 1 1 479.621 4.986 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC ZINC000036316518 569763300 /nfs/dbraw/zinc/76/33/00/569763300.db2.gz GBDVKPKFFPLJHD-QFIPXVFZSA-N 1 1 455.574 4.976 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036341256 569764376 /nfs/dbraw/zinc/76/43/76/569764376.db2.gz LLCAOSWHACJXFA-AREMUKBSSA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036341256 569764377 /nfs/dbraw/zinc/76/43/77/569764377.db2.gz LLCAOSWHACJXFA-AREMUKBSSA-N 1 1 473.573 4.522 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 ZINC000036341107 569764415 /nfs/dbraw/zinc/76/44/15/569764415.db2.gz LAFDATAGSKKZBX-HHHXNRCGSA-N 1 1 491.010 4.975 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036341737 569764733 /nfs/dbraw/zinc/76/47/33/569764733.db2.gz XGJNLYISLLKUGQ-VWLOTQADSA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036341737 569764734 /nfs/dbraw/zinc/76/47/34/569764734.db2.gz XGJNLYISLLKUGQ-VWLOTQADSA-N 1 1 461.537 4.653 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343846 569766494 /nfs/dbraw/zinc/76/64/94/569766494.db2.gz HKABROCCWZPKHB-CPJSRVTESA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343846 569766495 /nfs/dbraw/zinc/76/64/95/569766495.db2.gz HKABROCCWZPKHB-CPJSRVTESA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343573 569766508 /nfs/dbraw/zinc/76/65/08/569766508.db2.gz VXNUMECSIIJYMM-OZXSUGGESA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343573 569766509 /nfs/dbraw/zinc/76/65/09/569766509.db2.gz VXNUMECSIIJYMM-OZXSUGGESA-N 1 1 461.606 4.565 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl ZINC000036343716 569766560 /nfs/dbraw/zinc/76/65/60/569766560.db2.gz JSFHMRXJQOODPS-MHZLTWQESA-N 1 1 473.020 4.836 50 0 JJAAMO COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036345131 569767630 /nfs/dbraw/zinc/76/76/30/569767630.db2.gz STTHCDQJDYILQI-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345050 569767657 /nfs/dbraw/zinc/76/76/57/569767657.db2.gz KFMVWJRCNDAJBJ-URXFXBBRSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345050 569767658 /nfs/dbraw/zinc/76/76/58/569767658.db2.gz KFMVWJRCNDAJBJ-URXFXBBRSA-N 1 1 467.997 4.601 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)cc1 ZINC000036345422 569767793 /nfs/dbraw/zinc/76/77/93/569767793.db2.gz VMFJMECRDMKGKQ-MUUNZHRXSA-N 1 1 470.592 4.630 50 0 JJAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036345239 569767873 /nfs/dbraw/zinc/76/78/73/569767873.db2.gz STUBTIKUZRBHMI-NDEPHWFRSA-N 1 1 470.592 4.630 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345476 569768079 /nfs/dbraw/zinc/76/80/79/569768079.db2.gz WAWSYNNQRVMNNV-LJAQVGFWSA-N 1 1 484.619 4.938 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000036346156 569769080 /nfs/dbraw/zinc/76/90/80/569769080.db2.gz JWSAAXPHETUYGF-XMMPIXPASA-N 1 1 481.637 4.906 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)(C)C ZINC000036346156 569769081 /nfs/dbraw/zinc/76/90/81/569769081.db2.gz JWSAAXPHETUYGF-XMMPIXPASA-N 1 1 481.637 4.906 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346740 569770576 /nfs/dbraw/zinc/77/05/76/569770576.db2.gz XPIZYUCEMIXBPE-QFIPXVFZSA-N 1 1 457.521 4.613 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346740 569770578 /nfs/dbraw/zinc/77/05/78/569770578.db2.gz XPIZYUCEMIXBPE-QFIPXVFZSA-N 1 1 457.521 4.613 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)C(C)C ZINC000036346680 569770620 /nfs/dbraw/zinc/77/06/20/569770620.db2.gz MDLBXILSRCKCTJ-XMMPIXPASA-N 1 1 459.537 4.717 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)C(C)C ZINC000036346680 569770621 /nfs/dbraw/zinc/77/06/21/569770621.db2.gz MDLBXILSRCKCTJ-XMMPIXPASA-N 1 1 459.537 4.717 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccccc2)c2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000037384664 569785690 /nfs/dbraw/zinc/78/56/90/569785690.db2.gz XGTLTKMCSMPMMR-UHFFFAOYSA-N 1 1 479.628 4.858 50 0 JJAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000037570552 569795756 /nfs/dbraw/zinc/79/57/56/569795756.db2.gz RKMAOMNXPXCCSW-UHFFFAOYSA-N 1 1 454.567 4.694 50 0 JJAAMO Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000037588167 569796842 /nfs/dbraw/zinc/79/68/42/569796842.db2.gz AJSPWVNYDREGOO-UHFFFAOYSA-N 1 1 482.577 4.723 50 0 JJAAMO CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546461 569803082 /nfs/dbraw/zinc/80/30/82/569803082.db2.gz NHQNKMCIQVHWME-QHCPKHFHSA-N 1 1 453.608 4.891 50 0 JJAAMO CCc1cc([C@@H](c2ccc(OC)cc2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546474 569803146 /nfs/dbraw/zinc/80/31/46/569803146.db2.gz QARYMKCJDGIPHO-HSZRJFAPSA-N 1 1 469.607 4.510 50 0 JJAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546498 569803179 /nfs/dbraw/zinc/80/31/79/569803179.db2.gz AUUQOCDPYZBRFR-QHCPKHFHSA-N 1 1 453.583 4.948 50 0 JJAAMO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000039442544 569809913 /nfs/dbraw/zinc/80/99/13/569809913.db2.gz VBPXCVHWHAIKRX-CYFREDJKSA-N 1 1 466.553 4.739 50 0 JJAAMO CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000039563892 569810780 /nfs/dbraw/zinc/81/07/80/569810780.db2.gz GFIVLKMJOXXENU-UHFFFAOYSA-N 1 1 491.636 4.643 50 0 JJAAMO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000039564051 569810839 /nfs/dbraw/zinc/81/08/39/569810839.db2.gz VTKYCOCTEAHCMF-UHFFFAOYSA-N 1 1 460.622 4.799 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@H+](C)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000039736291 569811152 /nfs/dbraw/zinc/81/11/52/569811152.db2.gz XIPZXELQKXCYSP-UHFFFAOYSA-N 1 1 462.619 4.815 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc2[nH]c(C[N@@H+](C)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000039736291 569811153 /nfs/dbraw/zinc/81/11/53/569811153.db2.gz XIPZXELQKXCYSP-UHFFFAOYSA-N 1 1 462.619 4.815 50 0 JJAAMO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000040157901 569821800 /nfs/dbraw/zinc/82/18/00/569821800.db2.gz VMRBFEVPGQPSCR-QFBILLFUSA-N 1 1 461.400 4.764 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355781 569824020 /nfs/dbraw/zinc/82/40/20/569824020.db2.gz GTLIGFISDVTFMA-ZDUSSCGKSA-N 1 1 455.411 4.697 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C[C@H]2C)c1 ZINC000103779599 569838108 /nfs/dbraw/zinc/83/81/08/569838108.db2.gz HCGHITBZEOLBQC-HSZRJFAPSA-N 1 1 489.664 4.688 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982824 569847982 /nfs/dbraw/zinc/84/79/82/569847982.db2.gz XPYLENWWPXBGDT-IZZNHLLZSA-N 1 1 464.993 4.913 50 0 JJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982826 569848087 /nfs/dbraw/zinc/84/80/87/569848087.db2.gz XPYLENWWPXBGDT-CLJLJLNGSA-N 1 1 464.993 4.913 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983719 569848210 /nfs/dbraw/zinc/84/82/10/569848210.db2.gz UPZRZSCKZXRLSC-DHIUTWEWSA-N 1 1 482.518 4.873 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983314 569848279 /nfs/dbraw/zinc/84/82/79/569848279.db2.gz JFBQOXJOFFFKRB-JWQCQUIFSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983314 569848280 /nfs/dbraw/zinc/84/82/80/569848280.db2.gz JFBQOXJOFFFKRB-JWQCQUIFSA-N 1 1 466.528 4.708 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984560 569848386 /nfs/dbraw/zinc/84/83/86/569848386.db2.gz LRGYSYKCDRFIPL-UKILVPOCSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984560 569848389 /nfs/dbraw/zinc/84/83/89/569848389.db2.gz LRGYSYKCDRFIPL-UKILVPOCSA-N 1 1 468.956 4.914 50 0 JJAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000052606447 569852443 /nfs/dbraw/zinc/85/24/43/569852443.db2.gz UNDGIKURMKXQHT-JXFKEZNVSA-N 1 1 462.541 4.842 50 0 JJAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1C(F)(F)F ZINC000052606447 569852444 /nfs/dbraw/zinc/85/24/44/569852444.db2.gz UNDGIKURMKXQHT-JXFKEZNVSA-N 1 1 462.541 4.842 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000105061353 569852679 /nfs/dbraw/zinc/85/26/79/569852679.db2.gz IACWTMTVMHYQCM-RLWLMLJZSA-N 1 1 481.706 4.890 50 0 JJAAMO COc1ccc(C(=O)N[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000105750026 569853364 /nfs/dbraw/zinc/85/33/64/569853364.db2.gz RYPSGJNFCMQBTA-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C(=O)N[C@@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000105750026 569853365 /nfs/dbraw/zinc/85/33/65/569853365.db2.gz RYPSGJNFCMQBTA-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO C[N@@H+](CCCN1C(=O)[C@H](Oc2ccc(F)cc2Cl)[C@@H]1c1cscn1)Cc1ccccc1 ZINC000105779982 569853370 /nfs/dbraw/zinc/85/33/70/569853370.db2.gz GDVNHVCDJAZRPM-FCHUYYIVSA-N 1 1 459.974 4.789 50 0 JJAAMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868459 569853531 /nfs/dbraw/zinc/85/35/31/569853531.db2.gz KIXILYUQJBABJZ-RBUKOAKNSA-N 1 1 473.061 4.548 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000106022048 569853797 /nfs/dbraw/zinc/85/37/97/569853797.db2.gz YFHSBVRSLHRWAC-ONJIFJTESA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000106022048 569853798 /nfs/dbraw/zinc/85/37/98/569853798.db2.gz YFHSBVRSLHRWAC-ONJIFJTESA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677757 569868933 /nfs/dbraw/zinc/86/89/33/569868933.db2.gz FGZPFPWWKCLIKZ-URXFXBBRSA-N 1 1 475.530 4.766 50 0 JJAAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677741 569868943 /nfs/dbraw/zinc/86/89/43/569868943.db2.gz KXICAUUNWVOIRH-ZCYQVOJMSA-N 1 1 471.567 4.670 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169679401 569869744 /nfs/dbraw/zinc/86/97/44/569869744.db2.gz ZEFCGJSJTKYJJU-AHKZPQOWSA-N 1 1 476.020 4.528 50 0 JJAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679604 569869887 /nfs/dbraw/zinc/86/98/87/569869887.db2.gz OLEFIVVIZBOOFM-VWNXMTODSA-N 1 1 487.497 4.617 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000169679916 569870086 /nfs/dbraw/zinc/87/00/86/569870086.db2.gz DGCCVKRRKORTGX-RCZVLFRGSA-N 1 1 484.980 4.515 50 0 JJAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000169681901 569870883 /nfs/dbraw/zinc/87/08/83/569870883.db2.gz HZFRMNIPCQEKSQ-LAUBAEHRSA-N 1 1 459.537 4.859 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000169681951 569870893 /nfs/dbraw/zinc/87/08/93/569870893.db2.gz ZMXQAMLTFFRSJD-KDYSTLNUSA-N 1 1 467.679 4.725 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@@H]1C ZINC000169681951 569870894 /nfs/dbraw/zinc/87/08/94/569870894.db2.gz ZMXQAMLTFFRSJD-KDYSTLNUSA-N 1 1 467.679 4.725 50 0 JJAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@H](C)O1 ZINC000195529815 569873592 /nfs/dbraw/zinc/87/35/92/569873592.db2.gz USRYDXBWELCXLL-JXALWOEJSA-N 1 1 481.641 4.740 50 0 JJAAMO COc1ccc(C=CC(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C)C5)cc2)cc1 ZINC000229296422 570040427 /nfs/dbraw/zinc/04/04/27/570040427.db2.gz QPYSJNCGSXSBSN-IUYAGDJRSA-N 1 1 475.570 4.792 50 0 JJAAMO COc1ccc(C=CC(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C)C5)cc2)cc1 ZINC000229296422 570040429 /nfs/dbraw/zinc/04/04/29/570040429.db2.gz QPYSJNCGSXSBSN-IUYAGDJRSA-N 1 1 475.570 4.792 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077176 570044535 /nfs/dbraw/zinc/04/45/35/570044535.db2.gz LBPCMQHXRCHVBN-YGOYIFOWSA-N 1 1 451.636 4.572 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281486 570062299 /nfs/dbraw/zinc/06/22/99/570062299.db2.gz ZVMZHNFDDRTYME-AOYPEHQESA-N 1 1 493.648 4.894 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245329281 570066262 /nfs/dbraw/zinc/06/62/62/570066262.db2.gz SMBATYQMRHEGTF-LYZGTLIUSA-N 1 1 479.690 4.725 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245329281 570066263 /nfs/dbraw/zinc/06/62/63/570066263.db2.gz SMBATYQMRHEGTF-LYZGTLIUSA-N 1 1 479.690 4.725 50 0 JJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000245330001 570066540 /nfs/dbraw/zinc/06/65/40/570066540.db2.gz WLYHIYICMQQRGF-ZEQKJWHPSA-N 1 1 496.648 4.706 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000245330622 570066964 /nfs/dbraw/zinc/06/69/64/570066964.db2.gz ZMXQAMLTFFRSJD-JIPXPUAJSA-N 1 1 467.679 4.725 50 0 JJAAMO CCCCCCC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)C[C@H]1C ZINC000245330622 570066965 /nfs/dbraw/zinc/06/69/65/570066965.db2.gz ZMXQAMLTFFRSJD-JIPXPUAJSA-N 1 1 467.679 4.725 50 0 JJAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247890864 570070779 /nfs/dbraw/zinc/07/07/79/570070779.db2.gz MRSFXIQAOJALFY-QFIPXVFZSA-N 1 1 454.574 4.944 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247890864 570070780 /nfs/dbraw/zinc/07/07/80/570070780.db2.gz MRSFXIQAOJALFY-QFIPXVFZSA-N 1 1 454.574 4.944 50 0 JJAAMO CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978903 570072101 /nfs/dbraw/zinc/07/21/01/570072101.db2.gz JBZWIMRGYDJDFY-GOSISDBHSA-N 1 1 469.427 4.868 50 0 JJAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248017462 570072910 /nfs/dbraw/zinc/07/29/10/570072910.db2.gz TTXJJCYTYZOULJ-DEOSSOPVSA-N 1 1 473.665 4.795 50 0 JJAAMO CCCN(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248033298 570073106 /nfs/dbraw/zinc/07/31/06/570073106.db2.gz UCWQURCTHHCUSN-UHFFFAOYSA-N 1 1 469.427 4.868 50 0 JJAAMO CCCCCC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248084130 570073720 /nfs/dbraw/zinc/07/37/20/570073720.db2.gz KHSPAIOCCREAAE-QFQXNSOFSA-N 1 1 467.679 4.644 50 0 JJAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248150667 570075433 /nfs/dbraw/zinc/07/54/33/570075433.db2.gz GZWBTDJMYVWTMZ-DEOSSOPVSA-N 1 1 473.665 4.740 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000248225019 570076200 /nfs/dbraw/zinc/07/62/00/570076200.db2.gz IXLVEQSAEAXYGF-YGOYIFOWSA-N 1 1 453.652 4.675 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248256166 570076837 /nfs/dbraw/zinc/07/68/37/570076837.db2.gz KXPQUHHNPNEABT-NGSHPTGOSA-N 1 1 450.538 4.970 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000248261765 570077107 /nfs/dbraw/zinc/07/71/07/570077107.db2.gz MOMNTZHQIYJMSS-WOZUAGRISA-N 1 1 468.475 4.836 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248261765 570077109 /nfs/dbraw/zinc/07/71/09/570077109.db2.gz MOMNTZHQIYJMSS-WOZUAGRISA-N 1 1 468.475 4.836 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000248295754 570077415 /nfs/dbraw/zinc/07/74/15/570077415.db2.gz XCJBUTYEPXPYJJ-NCYKPQTJSA-N 1 1 452.913 4.610 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000248295754 570077416 /nfs/dbraw/zinc/07/74/16/570077416.db2.gz XCJBUTYEPXPYJJ-NCYKPQTJSA-N 1 1 452.913 4.610 50 0 JJAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249681575 570078534 /nfs/dbraw/zinc/07/85/34/570078534.db2.gz BQMINEWIOKGJPM-XMMPIXPASA-N 1 1 473.665 4.570 50 0 JJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000253388953 570095632 /nfs/dbraw/zinc/09/56/32/570095632.db2.gz DKEHJRCHZHMYBD-AFMDSPMNSA-N 1 1 485.669 4.720 50 0 JJAAMO C[N@@H+](Cc1[nH]nc2c1CCCC2)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000299769663 570175643 /nfs/dbraw/zinc/17/56/43/570175643.db2.gz OWKZJDZZSBWTAA-UHFFFAOYSA-N 1 1 483.660 4.588 50 0 JJAAMO CC[N@H+](CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)Cc1cccc(F)c1 ZINC000012765730 195113423 /nfs/dbraw/zinc/11/34/23/195113423.db2.gz SBGWFOCBLYHROU-UHFFFAOYSA-N 1 1 465.525 4.556 50 0 JJAAMO CC[N@@H+](CC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC)Cc1cccc(F)c1 ZINC000012765730 195113426 /nfs/dbraw/zinc/11/34/26/195113426.db2.gz SBGWFOCBLYHROU-UHFFFAOYSA-N 1 1 465.525 4.556 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012769758 195116774 /nfs/dbraw/zinc/11/67/74/195116774.db2.gz ZOWITIXTCNQUDQ-QHCPKHFHSA-N 1 1 490.050 4.504 50 0 JJAAMO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000012812260 195144697 /nfs/dbraw/zinc/14/46/97/195144697.db2.gz YGZPMCKTGYAKJQ-DIFFPNOSSA-N 1 1 460.283 4.950 50 0 JJAAMO Cc1cc(C(F)(F)F)n2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2n1 ZINC000012845995 195152426 /nfs/dbraw/zinc/15/24/26/195152426.db2.gz LJYZQNVPRWVPQC-UHFFFAOYSA-N 1 1 479.506 4.604 50 0 JJAAMO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012884652 195169967 /nfs/dbraw/zinc/16/99/67/195169967.db2.gz WXVIIZMFLCKKQI-UHFFFAOYSA-N 1 1 477.161 4.794 50 0 JJAAMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012884652 195169970 /nfs/dbraw/zinc/16/99/70/195169970.db2.gz WXVIIZMFLCKKQI-UHFFFAOYSA-N 1 1 477.161 4.794 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC23CCCCC3)cc1 ZINC000020687992 195205550 /nfs/dbraw/zinc/20/55/50/195205550.db2.gz HTTKUAUQGQVBGE-JBRSBNLGSA-N 1 1 484.754 4.631 50 0 JJAAMO CCCC[N@@H+](C)CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21 ZINC000020727067 195208305 /nfs/dbraw/zinc/20/83/05/195208305.db2.gz VUOFIKPRWPXIFV-JWGURIENSA-N 1 1 458.027 4.668 50 0 JJAAMO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CO4)cc1OC ZINC000020761644 195217823 /nfs/dbraw/zinc/21/78/23/195217823.db2.gz XXGIITQBNOMKHF-XUZZJYLKSA-N 1 1 490.600 4.894 50 0 biogenic JJAAMO COc1ccccc1-c1coc2c(ccc3c2CN(C[C@@H]2CCC[N@H+]4CCCC[C@H]24)CO3)c1=O ZINC000020763017 195218841 /nfs/dbraw/zinc/21/88/41/195218841.db2.gz BDSJHIMDFHDIKI-YADARESESA-N 1 1 460.574 4.885 50 0 biogenic JJAAMO Cc1ccc2c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000020797935 195226398 /nfs/dbraw/zinc/22/63/98/195226398.db2.gz FHBDTVSOINKDDC-UHFFFAOYSA-N 1 1 452.554 4.578 50 0 JJAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)C2)cc1 ZINC000021103411 195276826 /nfs/dbraw/zinc/27/68/26/195276826.db2.gz RHKKGSDONBQDAG-NRFANRHFSA-N 1 1 494.039 4.553 50 0 JJAAMO COc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000021169365 195289118 /nfs/dbraw/zinc/28/91/18/195289118.db2.gz WPPRCLLWSQWXMJ-SXOMAYOGSA-N 1 1 451.994 4.895 50 0 JJAAMO COc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000021169371 195289248 /nfs/dbraw/zinc/28/92/48/195289248.db2.gz WPPRCLLWSQWXMJ-KAYWLYCHSA-N 1 1 451.994 4.895 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000021526686 195305217 /nfs/dbraw/zinc/30/52/17/195305217.db2.gz JWWMIOCGWURKOQ-LJAQVGFWSA-N 1 1 490.648 4.810 50 0 JJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c2c1 ZINC000021934808 195335897 /nfs/dbraw/zinc/33/58/97/195335897.db2.gz MLVPZSGZRQSLQB-UHFFFAOYSA-N 1 1 479.628 4.543 50 0 JJAAMO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058248663 195375274 /nfs/dbraw/zinc/37/52/74/195375274.db2.gz JGZJPFRDENZGEL-SXOMAYOGSA-N 1 1 455.602 4.615 50 0 JJAAMO COc1ccc(CCC(=O)N2CCC([N@@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1F ZINC000058312539 195376889 /nfs/dbraw/zinc/37/68/89/195376889.db2.gz MDPHUJNNEMRJFY-UHFFFAOYSA-N 1 1 452.492 4.909 50 0 JJAAMO CC(=O)CCc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000089930328 519416448 /nfs/dbraw/zinc/41/64/48/519416448.db2.gz VJMYRWQBBNIENR-UHFFFAOYSA-N 1 1 463.405 4.675 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146071 519773681 /nfs/dbraw/zinc/77/36/81/519773681.db2.gz ZTJDULXERPKFLT-UXHICEINSA-N 1 1 451.394 4.775 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146381 519881040 /nfs/dbraw/zinc/88/10/40/519881040.db2.gz KUGYQGVEARKLOY-OALUTQOASA-N 1 1 497.394 4.832 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146381 519881042 /nfs/dbraw/zinc/88/10/42/519881042.db2.gz KUGYQGVEARKLOY-OALUTQOASA-N 1 1 497.394 4.832 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146380 519881427 /nfs/dbraw/zinc/88/14/27/519881427.db2.gz KUGYQGVEARKLOY-MOPGFXCFSA-N 1 1 497.394 4.832 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146380 519881428 /nfs/dbraw/zinc/88/14/28/519881428.db2.gz KUGYQGVEARKLOY-MOPGFXCFSA-N 1 1 497.394 4.832 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307825 520090126 /nfs/dbraw/zinc/09/01/26/520090126.db2.gz JXOPOUCCRWKCBZ-QFIPXVFZSA-N 1 1 453.558 4.628 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306907 520154343 /nfs/dbraw/zinc/15/43/43/520154343.db2.gz MIUQNNLHMCNJTO-OAQYLSRUSA-N 1 1 453.558 4.628 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303364 520155411 /nfs/dbraw/zinc/15/54/11/520155411.db2.gz ZZZYOUBIWDVHDA-JOCHJYFZSA-N 1 1 495.620 4.606 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303364 520155419 /nfs/dbraw/zinc/15/54/19/520155419.db2.gz ZZZYOUBIWDVHDA-JOCHJYFZSA-N 1 1 495.620 4.606 50 0 JJAAMO CCOC(=O)C1=C(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412499 520521111 /nfs/dbraw/zinc/52/11/11/520521111.db2.gz XDRMFTDUKASQOT-PDTOIUCRSA-N 1 1 465.638 4.669 50 0 JJAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(Cc2cccc4cccnc42)CCO3)C1 ZINC000014991560 520527349 /nfs/dbraw/zinc/52/73/49/520527349.db2.gz PWAASNKCAHDZNL-AREMUKBSSA-N 1 1 486.660 4.710 50 0 JJAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428970 520893446 /nfs/dbraw/zinc/89/34/46/520893446.db2.gz CGWGCMAVZSROKA-PXJZQJOASA-N 1 1 450.586 4.651 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023204 521018766 /nfs/dbraw/zinc/01/87/66/521018766.db2.gz KAEGROCFJYVMLM-DEOSSOPVSA-N 1 1 475.612 4.528 50 0 JJAAMO CCOc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccc(C)cc4)nc4cccnc43)CC2)cc1 ZINC000033139736 521087129 /nfs/dbraw/zinc/08/71/29/521087129.db2.gz MPEHOVQVQGFTPS-UHFFFAOYSA-N 1 1 484.604 4.655 50 0 JJAAMO CCCCn1c(C[NH2+][C@H](c2cccs2)c2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000012507723 521364798 /nfs/dbraw/zinc/36/47/98/521364798.db2.gz GNMJNFZDPAUICM-DEOSSOPVSA-N 1 1 468.648 4.733 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036309058 521536908 /nfs/dbraw/zinc/53/69/08/521536908.db2.gz FPSPMIXGABTZRW-OZXSUGGESA-N 1 1 478.658 4.569 50 0 JJAAMO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)[C@@H](C)C(C)(C)O ZINC000036310285 521539173 /nfs/dbraw/zinc/53/91/73/521539173.db2.gz QKKIBLLNTBFVAE-RBBKRZOGSA-N 1 1 458.668 4.741 50 0 JJAAMO CCOC(=O)c1ccccc1NC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069217 521549137 /nfs/dbraw/zinc/54/91/37/521549137.db2.gz RQTOFNGFVOJHKO-UHFFFAOYSA-N 1 1 494.979 4.760 50 0 JJAAMO CCOC(=O)c1ccccc1NC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069217 521549143 /nfs/dbraw/zinc/54/91/43/521549143.db2.gz RQTOFNGFVOJHKO-UHFFFAOYSA-N 1 1 494.979 4.760 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC ZINC000036303955 521679468 /nfs/dbraw/zinc/67/94/68/521679468.db2.gz QNWSTFRYOKRMNB-JOCHJYFZSA-N 1 1 453.583 4.591 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036302829 521680281 /nfs/dbraw/zinc/68/02/81/521680281.db2.gz MVGRUZNVCYTVTA-JOCHJYFZSA-N 1 1 467.610 4.845 50 0 JJAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206212 521693829 /nfs/dbraw/zinc/69/38/29/521693829.db2.gz CZTAXEVUPVSWSS-SFHVURJKSA-N 1 1 464.031 4.551 50 0 JJAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](O)COCC(C)C ZINC000036206212 521693832 /nfs/dbraw/zinc/69/38/32/521693832.db2.gz CZTAXEVUPVSWSS-SFHVURJKSA-N 1 1 464.031 4.551 50 0 JJAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000022784387 521695768 /nfs/dbraw/zinc/69/57/68/521695768.db2.gz OPNZEGJRNNIVKK-BEFAXECRSA-N 1 1 467.502 4.564 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303267 522639476 /nfs/dbraw/zinc/63/94/76/522639476.db2.gz YHYQJJSKNMZWPB-QHCPKHFHSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303267 522639483 /nfs/dbraw/zinc/63/94/83/522639483.db2.gz YHYQJJSKNMZWPB-QHCPKHFHSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036303299 522639562 /nfs/dbraw/zinc/63/95/62/522639562.db2.gz BRMVVYWELJCZHS-HSZRJFAPSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036303299 522639571 /nfs/dbraw/zinc/63/95/71/522639571.db2.gz BRMVVYWELJCZHS-HSZRJFAPSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303032 522639626 /nfs/dbraw/zinc/63/96/26/522639626.db2.gz JDNWSVYENMOHTJ-DEOSSOPVSA-N 1 1 481.637 4.770 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303032 522639635 /nfs/dbraw/zinc/63/96/35/522639635.db2.gz JDNWSVYENMOHTJ-DEOSSOPVSA-N 1 1 481.637 4.770 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036302577 522640199 /nfs/dbraw/zinc/64/01/99/522640199.db2.gz SMEJEXOQAHSRAN-HSZRJFAPSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036302577 522640205 /nfs/dbraw/zinc/64/02/05/522640205.db2.gz SMEJEXOQAHSRAN-HSZRJFAPSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303101 522642303 /nfs/dbraw/zinc/64/23/03/522642303.db2.gz MSQHKNVQGHBLTL-JOCHJYFZSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303101 522642313 /nfs/dbraw/zinc/64/23/13/522642313.db2.gz MSQHKNVQGHBLTL-JOCHJYFZSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036303126 522643388 /nfs/dbraw/zinc/64/33/88/522643388.db2.gz LNOPILOXSNOGRI-QFIPXVFZSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036303126 522643398 /nfs/dbraw/zinc/64/33/98/522643398.db2.gz LNOPILOXSNOGRI-QFIPXVFZSA-N 1 1 499.627 4.991 50 0 JJAAMO COc1cc(OC)c(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326720 522810125 /nfs/dbraw/zinc/81/01/25/522810125.db2.gz JDSMRBMBSICDCE-UHFFFAOYSA-N 1 1 498.971 4.680 50 0 JJAAMO COc1cc([C@@H](C)[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)ccc1OCCO ZINC000048275587 522906751 /nfs/dbraw/zinc/90/67/51/522906751.db2.gz JJEMBIAGWNLITD-OAHLLOKOSA-N 1 1 464.393 4.777 50 0 JJAAMO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036308899 522991188 /nfs/dbraw/zinc/99/11/88/522991188.db2.gz ISENYQZDMULMJQ-KNQAVFIVSA-N 1 1 465.059 4.635 50 0 JJAAMO CC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301944 522993805 /nfs/dbraw/zinc/99/38/05/522993805.db2.gz UYNFSPBCAAYCKM-OAQYLSRUSA-N 1 1 461.965 4.985 50 0 JJAAMO CC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301944 522993811 /nfs/dbraw/zinc/99/38/11/522993811.db2.gz UYNFSPBCAAYCKM-OAQYLSRUSA-N 1 1 461.965 4.985 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)cc3n2)cc1 ZINC000012370991 523106001 /nfs/dbraw/zinc/10/60/01/523106001.db2.gz PVOVSLQURVPQML-DYESRHJHSA-N 1 1 488.510 4.845 50 0 JJAAMO COc1ccc(-c2ccc(C(=O)N3CCOc4ccc(C[N@H+]5C[C@@H](C)O[C@@H](C)C5)cc4C3)o2)cc1 ZINC000014994285 523128644 /nfs/dbraw/zinc/12/86/44/523128644.db2.gz KGNRLICTXFEHBC-BGYRXZFFSA-N 1 1 476.573 4.599 50 0 JJAAMO COc1ccc(-c2ccc(C(=O)N3CCOc4ccc(C[N@@H+]5C[C@@H](C)O[C@@H](C)C5)cc4C3)o2)cc1 ZINC000014994285 523128656 /nfs/dbraw/zinc/12/86/56/523128656.db2.gz KGNRLICTXFEHBC-BGYRXZFFSA-N 1 1 476.573 4.599 50 0 JJAAMO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)C3CCC3)CC2)c1)Cc1cccc2ccccc21 ZINC000014885216 523316266 /nfs/dbraw/zinc/31/62/66/523316266.db2.gz VMJFTMIALOLPFE-UHFFFAOYSA-N 1 1 471.645 4.795 50 0 JJAAMO CN(Cc1ccccc1)C(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069201 523325536 /nfs/dbraw/zinc/32/55/36/523325536.db2.gz IUVURMKIUAYKSA-UHFFFAOYSA-N 1 1 450.970 4.604 50 0 JJAAMO CN(Cc1ccccc1)C(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069201 523325545 /nfs/dbraw/zinc/32/55/45/523325545.db2.gz IUVURMKIUAYKSA-UHFFFAOYSA-N 1 1 450.970 4.604 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036306949 523734469 /nfs/dbraw/zinc/73/44/69/523734469.db2.gz TWXSFTPGPMOBIU-JOCHJYFZSA-N 1 1 485.600 4.643 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036306933 523735349 /nfs/dbraw/zinc/73/53/49/523735349.db2.gz NASHMIUUJAINTQ-HSZRJFAPSA-N 1 1 485.600 4.500 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000036303633 523736930 /nfs/dbraw/zinc/73/69/30/523736930.db2.gz BQQZKVGPSWUGPI-HSZRJFAPSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000036303633 523736936 /nfs/dbraw/zinc/73/69/36/523736936.db2.gz BQQZKVGPSWUGPI-HSZRJFAPSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036304666 523737654 /nfs/dbraw/zinc/73/76/54/523737654.db2.gz XTBIDECXCLYRJH-DEOSSOPVSA-N 1 1 467.610 4.516 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COC(C)C ZINC000036304666 523737662 /nfs/dbraw/zinc/73/76/62/523737662.db2.gz XTBIDECXCLYRJH-DEOSSOPVSA-N 1 1 467.610 4.516 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COC(C)C ZINC000036303475 523738567 /nfs/dbraw/zinc/73/85/67/523738567.db2.gz CYFSGTDKOKULBC-QFIPXVFZSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COC(C)C ZINC000036303475 523738575 /nfs/dbraw/zinc/73/85/75/523738575.db2.gz CYFSGTDKOKULBC-QFIPXVFZSA-N 1 1 488.028 4.861 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000036146209 523879312 /nfs/dbraw/zinc/87/93/12/523879312.db2.gz YKBSAKYVPVDQGO-AHKZPQOWSA-N 1 1 495.019 4.922 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864600 524109264 /nfs/dbraw/zinc/10/92/64/524109264.db2.gz JFHDDFHUZBUMGE-PIKZIKFNSA-N 1 1 480.653 4.676 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000036345558 524232607 /nfs/dbraw/zinc/23/26/07/524232607.db2.gz NPEQVWQOHKDBHL-GDLZYMKVSA-N 1 1 466.629 4.799 50 0 JJAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccco2)CC1 ZINC000021796802 524303448 /nfs/dbraw/zinc/30/34/48/524303448.db2.gz HQJBXKWPXNHKCT-UHFFFAOYSA-N 1 1 479.540 4.652 50 0 JJAAMO C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012325648 524493814 /nfs/dbraw/zinc/49/38/14/524493814.db2.gz ARJJYLBYHUENNS-HXUWFJFHSA-N 1 1 464.587 4.811 50 0 JJAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000014986414 524816338 /nfs/dbraw/zinc/81/63/38/524816338.db2.gz ZEKPZIAILKQIHH-HHHXNRCGSA-N 1 1 455.558 4.629 50 0 JJAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@@H+](C)CC4)c1 ZINC000033265610 524860006 /nfs/dbraw/zinc/86/00/06/524860006.db2.gz RXTPPPIUWGIARD-OAHLLOKOSA-N 1 1 452.580 4.653 50 0 JJAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@H+](C)CC4)c1 ZINC000033265610 524860020 /nfs/dbraw/zinc/86/00/20/524860020.db2.gz RXTPPPIUWGIARD-OAHLLOKOSA-N 1 1 452.580 4.653 50 0 JJAAMO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304478 524989201 /nfs/dbraw/zinc/98/92/01/524989201.db2.gz BOZYSCBAEINJFB-QHCPKHFHSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304478 524989205 /nfs/dbraw/zinc/98/92/05/524989205.db2.gz BOZYSCBAEINJFB-QHCPKHFHSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306188 524989396 /nfs/dbraw/zinc/98/93/96/524989396.db2.gz HMJPTALHVASQLD-QFIPXVFZSA-N 1 1 465.594 4.638 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306198 524993135 /nfs/dbraw/zinc/99/31/35/524993135.db2.gz LMFMQGWZYSCVEO-QHCPKHFHSA-N 1 1 479.621 4.886 50 0 JJAAMO C[C@H](NC(=O)c1ccc(N2CCC([N@@H+](CCO)Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000012513073 525215171 /nfs/dbraw/zinc/21/51/71/525215171.db2.gz VVSBBZRGOXNIPI-QHCPKHFHSA-N 1 1 457.618 4.641 50 0 JJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000035477276 525308492 /nfs/dbraw/zinc/30/84/92/525308492.db2.gz UKWTZYRPCKKGGG-UHFFFAOYSA-N 1 1 495.605 4.845 50 0 JJAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@H](Sc2ccccn2)C[C@H]1C(=O)N(C)Cc1ccon1 ZINC000014995135 525650428 /nfs/dbraw/zinc/65/04/28/525650428.db2.gz LSTJIJRYARXYMB-QPPBQGQZSA-N 1 1 488.613 4.625 50 0 JJAAMO COc1cccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COC(C)(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206380 525718657 /nfs/dbraw/zinc/71/86/57/525718657.db2.gz URMUKZBIMVZATM-FQEVSTJZSA-N 1 1 499.677 4.971 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146336 525925211 /nfs/dbraw/zinc/92/52/11/525925211.db2.gz SJVYFFQUYBHHCH-RSXGOPAZSA-N 1 1 464.993 4.947 50 0 JJAAMO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000022698271 525979870 /nfs/dbraw/zinc/97/98/70/525979870.db2.gz QUGYMCQEDBTENC-MUUNZHRXSA-N 1 1 487.575 4.863 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305417 526241093 /nfs/dbraw/zinc/24/10/93/526241093.db2.gz CCYOYNBSWSKCQG-JOCHJYFZSA-N 1 1 467.610 4.884 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305472 526241298 /nfs/dbraw/zinc/24/12/98/526241298.db2.gz LWOKHKWJQBYRPS-JOCHJYFZSA-N 1 1 465.594 4.638 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305488 526241969 /nfs/dbraw/zinc/24/19/69/526241969.db2.gz PVLOCBQVRAPRLI-HSZRJFAPSA-N 1 1 479.621 4.886 50 0 JJAAMO Cc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)C3)[nH]c2c1 ZINC000033072147 526252030 /nfs/dbraw/zinc/25/20/30/526252030.db2.gz QAKOYEKCTQJXAV-RUZDIDTESA-N 1 1 473.665 4.549 50 0 JJAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206518 526256432 /nfs/dbraw/zinc/25/64/32/526256432.db2.gz SLUSDJXHJFBXBT-LJQANCHMSA-N 1 1 457.640 4.512 50 0 JJAAMO Cc1ccc(C)c(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COCC(C)C)C(C)C)nc(=O)c23)c1 ZINC000036206518 526256435 /nfs/dbraw/zinc/25/64/35/526256435.db2.gz SLUSDJXHJFBXBT-LJQANCHMSA-N 1 1 457.640 4.512 50 0 JJAAMO O=C(CC1CCCC1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020450395 526353797 /nfs/dbraw/zinc/35/37/97/526353797.db2.gz TVWHVLQJTWPFTD-MUUNZHRXSA-N 1 1 490.692 4.597 50 0 JJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000012374700 526420876 /nfs/dbraw/zinc/42/08/76/526420876.db2.gz ZHKOJPHSOWHHAZ-OXJNMPFZSA-N 1 1 476.474 4.976 50 0 JJAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccncc2)C1 ZINC000014747214 526425640 /nfs/dbraw/zinc/42/56/40/526425640.db2.gz BMIVSZXEMUBNKE-BJKOFHAPSA-N 1 1 497.561 4.976 50 0 JJAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012196555 526569401 /nfs/dbraw/zinc/56/94/01/526569401.db2.gz OPIMZKKXDBRAQH-GOSISDBHSA-N 1 1 450.501 4.707 50 0 JJAAMO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000014881650 526576004 /nfs/dbraw/zinc/57/60/04/526576004.db2.gz CFMHPEIECOBCCU-PDDLMNHVSA-N 1 1 469.629 4.592 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)N1CCCc2ccccc21 ZINC000033069204 526648830 /nfs/dbraw/zinc/64/88/30/526648830.db2.gz UUPMZTXNQCQJLL-UHFFFAOYSA-N 1 1 462.981 4.924 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)N1CCCc2ccccc21 ZINC000033069204 526648831 /nfs/dbraw/zinc/64/88/31/526648831.db2.gz UUPMZTXNQCQJLL-UHFFFAOYSA-N 1 1 462.981 4.924 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035488916 526729645 /nfs/dbraw/zinc/72/96/45/526729645.db2.gz GMFSZWFKYGVOPH-SRDXBBKJSA-N 1 1 486.955 4.977 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000021795818 527002876 /nfs/dbraw/zinc/00/28/76/527002876.db2.gz LVVNNOUDRRBFFS-UHFFFAOYSA-N 1 1 452.946 4.971 50 0 JJAAMO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3cccc(F)c3F)CC2)C(=O)N1C1CCCC1 ZINC000014881394 527084161 /nfs/dbraw/zinc/08/41/61/527084161.db2.gz LVCHLLJYKDJWFM-MHZLTWQESA-N 1 1 485.550 4.792 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@H+](CCc2ccccc2)C1 ZINC000014732416 527272590 /nfs/dbraw/zinc/27/25/90/527272590.db2.gz QUHDILATMPXBSK-RRPNLBNLSA-N 1 1 499.630 4.750 50 0 JJAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2cc3cc4c(cc3nc2OCc2cccc(C(F)(F)F)c2)CCC4)C1 ZINC000014986163 527308733 /nfs/dbraw/zinc/30/87/33/527308733.db2.gz XXBLHGHGPWNXAJ-JOCHJYFZSA-N 1 1 490.547 4.598 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968160 527666980 /nfs/dbraw/zinc/66/69/80/527666980.db2.gz NPPJXDIVQLHQME-UHFFFAOYSA-N 1 1 482.628 4.551 50 0 JJAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(OC)c(OC)c2)CC1 ZINC000096276739 535618586 /nfs/dbraw/zinc/61/85/86/535618586.db2.gz KTCGDWNDSDIVBX-IBGZPJMESA-N 1 1 455.986 4.525 50 0 JJAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(OC)cc32)c2cccc(C(F)(F)F)c2)CC1 ZINC000096275406 535619047 /nfs/dbraw/zinc/61/90/47/535619047.db2.gz ULTZOCLMZKHRSZ-FQEVSTJZSA-N 1 1 459.512 4.881 50 0 JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000002110682 554049365 /nfs/dbraw/zinc/04/93/65/554049365.db2.gz SWUSAVNHNHUGGN-NPAAKHOSSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000002110682 554049368 /nfs/dbraw/zinc/04/93/68/554049368.db2.gz SWUSAVNHNHUGGN-NPAAKHOSSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccccc2)cc1OC ZINC000002224636 554102453 /nfs/dbraw/zinc/10/24/53/554102453.db2.gz QGBUGLBBBIVXCQ-CLJLJLNGSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccccc2)cc1OC ZINC000002224642 554102699 /nfs/dbraw/zinc/10/26/99/554102699.db2.gz QGBUGLBBBIVXCQ-UIOOFZCWSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002238935 554108758 /nfs/dbraw/zinc/10/87/58/554108758.db2.gz GWRBPKPTDJEIQU-CLJLJLNGSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002238931 554108788 /nfs/dbraw/zinc/10/87/88/554108788.db2.gz GWRBPKPTDJEIQU-IZZNHLLZSA-N 1 1 468.513 4.517 50 0 JJAAMO CC[C@H](c1nnc(SCC(=O)Nc2ccc(Br)cc2F)n1-c1ccccc1)[NH+](C)C ZINC000002618840 554243305 /nfs/dbraw/zinc/24/33/05/554243305.db2.gz MGQBPMFGJWODSH-GOSISDBHSA-N 1 1 492.418 4.912 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(SC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002707385 554296193 /nfs/dbraw/zinc/29/61/93/554296193.db2.gz PNXVJHQALNKXHV-DQEYMECFSA-N 1 1 482.565 4.999 50 0 JJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccco1 ZINC000008928019 554825624 /nfs/dbraw/zinc/82/56/24/554825624.db2.gz BTJMBLPCAZGAKF-NRFANRHFSA-N 1 1 467.547 4.766 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008936391 554830238 /nfs/dbraw/zinc/83/02/38/554830238.db2.gz UBAFTRISQWYYEP-JOCHJYFZSA-N 1 1 463.622 4.707 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151267 554937936 /nfs/dbraw/zinc/93/79/36/554937936.db2.gz CLFNZSAGGLNSTA-XMMPIXPASA-N 1 1 485.657 4.986 50 0 JJAAMO COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000009228207 555001871 /nfs/dbraw/zinc/00/18/71/555001871.db2.gz XPSKFOSQEGTMEL-UHFFFAOYSA-N 1 1 455.580 4.691 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)CC1 ZINC000009265465 555041330 /nfs/dbraw/zinc/04/13/30/555041330.db2.gz HQOFPHHFYOBUJL-UHFFFAOYSA-N 1 1 477.605 4.957 50 0 JJAAMO CSc1ccc([C@@H]2[NH+]=C(N3CCC(Cc4ccccc4)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000009287508 555060860 /nfs/dbraw/zinc/06/08/60/555060860.db2.gz HFLAFQSDINRFPS-XMMPIXPASA-N 1 1 459.619 4.557 50 0 JJAAMO CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289325 555063659 /nfs/dbraw/zinc/06/36/59/555063659.db2.gz ZGYBONLZZLLUEJ-AZUAARDMSA-N 1 1 454.640 4.642 50 0 JJAAMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009307635 555080645 /nfs/dbraw/zinc/08/06/45/555080645.db2.gz PCRUCCWTJLOTFE-UHFFFAOYSA-N 1 1 463.578 4.637 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000009345002 555110359 /nfs/dbraw/zinc/11/03/59/555110359.db2.gz WFINIUBSIDPZTK-CLJLJLNGSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2C)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009347753 555113778 /nfs/dbraw/zinc/11/37/78/555113778.db2.gz ZCWONBMRJSZABL-UIOOFZCWSA-N 1 1 452.514 4.816 50 0 JJAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432482 555201477 /nfs/dbraw/zinc/20/14/77/555201477.db2.gz FHLQTCVWDSLCOU-RPBOFIJWSA-N 1 1 477.630 4.813 50 0 JJAAMO CCN(CC(=O)NC(C)C)c1nc(C[NH+]2CCC(C)CC2)nc2scc(-c3ccccc3)c21 ZINC000013146075 555344311 /nfs/dbraw/zinc/34/43/11/555344311.db2.gz PEPYJWNENXXUQA-UHFFFAOYSA-N 1 1 465.667 4.941 50 0 JJAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 ZINC000009646279 555359512 /nfs/dbraw/zinc/35/95/12/555359512.db2.gz PMEWTXGIEITCMT-MRXNPFEDSA-N 1 1 453.877 4.785 50 0 JJAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 ZINC000009646274 555359525 /nfs/dbraw/zinc/35/95/25/555359525.db2.gz PMEWTXGIEITCMT-INIZCTEOSA-N 1 1 453.877 4.785 50 0 JJAAMO C[NH+]1CCN(c2nn3c(nc(-c4ccc(C(F)(F)F)cc4)c3NC3CCCCC3)s2)CC1 ZINC000013347107 555377244 /nfs/dbraw/zinc/37/72/44/555377244.db2.gz ITYUDKHYSKYVEP-UHFFFAOYSA-N 1 1 464.561 4.973 50 0 JJAAMO CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000009668181 555382178 /nfs/dbraw/zinc/38/21/78/555382178.db2.gz OKTCAOHXJYGKFK-OVUDXRBESA-N 1 1 480.697 4.506 50 0 JJAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013554584 555493483 /nfs/dbraw/zinc/49/34/83/555493483.db2.gz YFCXPRGPYONKGG-OMICENBGSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000013554584 555493486 /nfs/dbraw/zinc/49/34/86/555493486.db2.gz YFCXPRGPYONKGG-OMICENBGSA-N 1 1 497.982 4.663 50 0 JJAAMO COc1cc2nc(NCCC[N@@H+](C)Cc3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831142 555532544 /nfs/dbraw/zinc/53/25/44/555532544.db2.gz JBEHYSZCHKAVPK-UHFFFAOYSA-N 1 1 482.588 4.896 50 0 JJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4cccc(OC)c4OC)CC3)ccc21 ZINC000019900180 555535398 /nfs/dbraw/zinc/53/53/98/555535398.db2.gz QGNNFTVETTXQKY-UHFFFAOYSA-N 1 1 457.574 4.790 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1 ZINC000009841114 555543823 /nfs/dbraw/zinc/54/38/23/555543823.db2.gz VMLMDIOVVBTYIN-QHCPKHFHSA-N 1 1 494.709 4.503 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+](C)Cc4ccccc4)C3)sc2c1 ZINC000009848138 555549903 /nfs/dbraw/zinc/54/99/03/555549903.db2.gz BFYYHNUJKJFLEP-NRFANRHFSA-N 1 1 466.651 4.550 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000013786963 555619373 /nfs/dbraw/zinc/61/93/73/555619373.db2.gz WQGRVIWHZBNCBU-GCCWUPBUSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000013786963 555619376 /nfs/dbraw/zinc/61/93/76/555619376.db2.gz WQGRVIWHZBNCBU-GCCWUPBUSA-N 1 1 452.595 4.627 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116161 555653684 /nfs/dbraw/zinc/65/36/84/555653684.db2.gz QWAOVVDXYJPXGJ-LQBRVFCJSA-N 1 1 465.682 4.509 50 0 JJAAMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000010224724 555654998 /nfs/dbraw/zinc/65/49/98/555654998.db2.gz LGWFGQHSUSXKDH-UHFFFAOYSA-N 1 1 456.546 4.509 50 0 JJAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)cc1OC ZINC000020137524 555661493 /nfs/dbraw/zinc/66/14/93/555661493.db2.gz QZVNLRBBNPVAQJ-UHFFFAOYSA-N 1 1 483.568 4.906 50 0 JJAAMO CCOc1ccc(C(=O)NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020176339 555682209 /nfs/dbraw/zinc/68/22/09/555682209.db2.gz IPXOTPMADLHLST-UHFFFAOYSA-N 1 1 459.615 4.507 50 0 JJAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000014199474 555731049 /nfs/dbraw/zinc/73/10/49/555731049.db2.gz OOWAZRKIWXXXBM-NHCUHLMSSA-N 1 1 499.677 4.501 50 0 JJAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)C[N@@H+](C)CC3 ZINC000020265970 555748033 /nfs/dbraw/zinc/74/80/33/555748033.db2.gz ZCMNLDZTYBYNTN-UHFFFAOYSA-N 1 1 450.427 4.521 50 0 JJAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)C[N@H+](C)CC3 ZINC000020265970 555748037 /nfs/dbraw/zinc/74/80/37/555748037.db2.gz ZCMNLDZTYBYNTN-UHFFFAOYSA-N 1 1 450.427 4.521 50 0 JJAAMO COc1ccc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014255506 555756446 /nfs/dbraw/zinc/75/64/46/555756446.db2.gz MAPVRQXWQDWDRY-QFIPXVFZSA-N 1 1 460.393 4.611 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000020289751 555761329 /nfs/dbraw/zinc/76/13/29/555761329.db2.gz UBZNCCKXJUMKOP-KOSHJBKYSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344327 555774368 /nfs/dbraw/zinc/77/43/68/555774368.db2.gz DVQCWNZHQOTBGX-SFHVURJKSA-N 1 1 474.561 4.537 50 0 JJAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344327 555774369 /nfs/dbraw/zinc/77/43/69/555774369.db2.gz DVQCWNZHQOTBGX-SFHVURJKSA-N 1 1 474.561 4.537 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@H+](Cc2ccccc2)C1 ZINC000014533127 555821398 /nfs/dbraw/zinc/82/13/98/555821398.db2.gz QSBFRFHSDUTTOF-BJKOFHAPSA-N 1 1 473.642 4.630 50 0 JJAAMO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4cc(F)cc(F)c4)CC3)C2=O)c1 ZINC000014537109 555826488 /nfs/dbraw/zinc/82/64/88/555826488.db2.gz AUJAFNLJGHYLCG-UHFFFAOYSA-N 1 1 485.575 4.819 50 0 JJAAMO CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000020579171 555833979 /nfs/dbraw/zinc/83/39/79/555833979.db2.gz PHBSKXRGKDIRRW-UHFFFAOYSA-N 1 1 496.659 4.990 50 0 JJAAMO O=C(c1cccc(-n2c(=O)c3ccc(Cl)cc3[nH]c2=S)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020645599 555846951 /nfs/dbraw/zinc/84/69/51/555846951.db2.gz XQIUKJPRUJGQSZ-UHFFFAOYSA-N 1 1 491.016 4.660 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1c1cccs1 ZINC000020904404 555849208 /nfs/dbraw/zinc/84/92/08/555849208.db2.gz LIGYPBGXMHTTCT-DCEDVJGZSA-N 1 1 467.679 4.923 50 0 JJAAMO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000022040412 555865534 /nfs/dbraw/zinc/86/55/34/555865534.db2.gz GCLOAJIKOAVLQV-UHFFFAOYSA-N 1 1 450.995 4.623 50 0 JJAAMO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)c1 ZINC000015319160 555897295 /nfs/dbraw/zinc/89/72/95/555897295.db2.gz DDTOXYXZWVFIFO-UTKZUKDTSA-N 1 1 488.510 4.845 50 0 JJAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012062782 555900565 /nfs/dbraw/zinc/90/05/65/555900565.db2.gz OLBDKQSZIVUONR-YKSBVNFPSA-N 1 1 458.489 4.907 50 0 JJAAMO O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000012062784 555900595 /nfs/dbraw/zinc/90/05/95/555900595.db2.gz OLBDKQSZIVUONR-RDPSFJRHSA-N 1 1 458.489 4.907 50 0 JJAAMO O=c1c2c(nc3sc(SCc4ccc(Cl)cc4)nn31)CC[N@@H+](Cc1ccccc1)C2 ZINC000015414236 555905785 /nfs/dbraw/zinc/90/57/85/555905785.db2.gz QOQJLWPPYSELTR-UHFFFAOYSA-N 1 1 455.008 4.655 50 0 JJAAMO O=c1c2c(nc3sc(SCc4ccc(Cl)cc4)nn31)CC[N@H+](Cc1ccccc1)C2 ZINC000015414236 555905787 /nfs/dbraw/zinc/90/57/87/555905787.db2.gz QOQJLWPPYSELTR-UHFFFAOYSA-N 1 1 455.008 4.655 50 0 JJAAMO O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4c(F)cccc4Cl)CC3)ccc2o1 ZINC000012123545 555909575 /nfs/dbraw/zinc/90/95/75/555909575.db2.gz CXRPKFOTFTZFQX-IBGZPJMESA-N 1 1 486.971 4.618 50 0 JJAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012133586 555912720 /nfs/dbraw/zinc/91/27/20/555912720.db2.gz BPADUQXFWFOEIS-MHZLTWQESA-N 1 1 498.631 4.824 50 0 JJAAMO COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000015671342 555928091 /nfs/dbraw/zinc/92/80/91/555928091.db2.gz SSRLQKUYVSULNY-UHFFFAOYSA-N 1 1 467.595 4.555 50 0 JJAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c(C)c1 ZINC000015671337 555928387 /nfs/dbraw/zinc/92/83/87/555928387.db2.gz GMGZPVIINGLIMH-UHFFFAOYSA-N 1 1 451.596 4.855 50 0 JJAAMO O=C(NCc1cnc2ccccc2c1)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)[nH]c1=O ZINC000012182323 555935444 /nfs/dbraw/zinc/93/54/44/555935444.db2.gz WZPWABAXAULNMF-QHCPKHFHSA-N 1 1 466.585 4.623 50 0 JJAAMO Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CC[NH+](Cc3cccc(F)c3F)CC2)n(C)n1 ZINC000012211434 555943008 /nfs/dbraw/zinc/94/30/08/555943008.db2.gz OUIYWHCOEQDXBP-DEOSSOPVSA-N 1 1 466.576 4.602 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c2ccccc12 ZINC000012213186 555944030 /nfs/dbraw/zinc/94/40/30/555944030.db2.gz GPXULYVIRBOMHK-QHCPKHFHSA-N 1 1 487.604 4.608 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)n2)cc1OC ZINC000015726119 555963598 /nfs/dbraw/zinc/96/35/98/555963598.db2.gz PERUKWRSPPXDNU-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)n2)cc1OC ZINC000015726119 555963599 /nfs/dbraw/zinc/96/35/99/555963599.db2.gz PERUKWRSPPXDNU-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4C)C3)n2)cc1OC ZINC000015726278 555964524 /nfs/dbraw/zinc/96/45/24/555964524.db2.gz SUTUVDMBAJCVMX-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4C)C3)n2)cc1OC ZINC000015726278 555964528 /nfs/dbraw/zinc/96/45/28/555964528.db2.gz SUTUVDMBAJCVMX-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000022908327 555965652 /nfs/dbraw/zinc/96/56/52/555965652.db2.gz KZMBTFWAJYRVJE-OAQYLSRUSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000022908327 555965655 /nfs/dbraw/zinc/96/56/55/555965655.db2.gz KZMBTFWAJYRVJE-OAQYLSRUSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000012456125 555981579 /nfs/dbraw/zinc/98/15/79/555981579.db2.gz KGRBWKKPSZLAPT-NRFANRHFSA-N 1 1 484.629 4.581 50 0 JJAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000022938142 555991130 /nfs/dbraw/zinc/99/11/30/555991130.db2.gz QRRAIPRNZSLOOX-UHFFFAOYSA-N 1 1 479.628 4.721 50 0 JJAAMO C[N@@H+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000012527763 555996419 /nfs/dbraw/zinc/99/64/19/555996419.db2.gz LZGJMDYJTILBJS-MUUNZHRXSA-N 1 1 488.595 4.671 50 0 JJAAMO C[N@H+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)[C@@H](c2ccccc2)C1 ZINC000012527763 555996420 /nfs/dbraw/zinc/99/64/20/555996420.db2.gz LZGJMDYJTILBJS-MUUNZHRXSA-N 1 1 488.595 4.671 50 0 JJAAMO C[C@H](OC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012539622 556012784 /nfs/dbraw/zinc/01/27/84/556012784.db2.gz HKQCLVWALADCTI-FQEVSTJZSA-N 1 1 485.609 4.853 50 0 JJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000012540280 556013999 /nfs/dbraw/zinc/01/39/99/556013999.db2.gz FGXCTOGPMWLOIZ-CJFMBICVSA-N 1 1 474.022 4.944 50 0 JJAAMO CCOc1ccc(-c2nc3sc(N4CC[NH+](C)CC4)nn3c2NC2CCCCCC2)cc1 ZINC000015828313 556015561 /nfs/dbraw/zinc/01/55/61/556015561.db2.gz CCWPMOPZFKBQPT-UHFFFAOYSA-N 1 1 454.644 4.743 50 0 JJAAMO Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3)n2)o1 ZINC000023428093 556054676 /nfs/dbraw/zinc/05/46/76/556054676.db2.gz WRVAEKFZRUPZTP-GOSISDBHSA-N 1 1 464.614 4.523 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000015944520 556080975 /nfs/dbraw/zinc/08/09/75/556080975.db2.gz IASAVWBJKSJBLV-PMACEKPBSA-N 1 1 487.088 5.000 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc2c1CC[C@H](C)C2 ZINC000015946912 556084041 /nfs/dbraw/zinc/08/40/41/556084041.db2.gz IAICTBHDVHYJLR-DLBZAZTESA-N 1 1 455.624 4.947 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)sc2c1CC[C@H](C)C2 ZINC000015946912 556084043 /nfs/dbraw/zinc/08/40/43/556084043.db2.gz IAICTBHDVHYJLR-DLBZAZTESA-N 1 1 455.624 4.947 50 0 JJAAMO CC[N@@H+]1CCc2c(sc3nc(SCCc4ccccn4)n(-c4cccc(OC)c4)c(=O)c32)C1 ZINC000025139766 556180734 /nfs/dbraw/zinc/18/07/34/556180734.db2.gz HGWPIXOCOZMHFK-UHFFFAOYSA-N 1 1 478.643 4.564 50 0 JJAAMO CC[N@H+]1CCc2c(sc3nc(SCCc4ccccn4)n(-c4cccc(OC)c4)c(=O)c32)C1 ZINC000025139766 556180737 /nfs/dbraw/zinc/18/07/37/556180737.db2.gz HGWPIXOCOZMHFK-UHFFFAOYSA-N 1 1 478.643 4.564 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296945 556252127 /nfs/dbraw/zinc/25/21/27/556252127.db2.gz JYONIPADCOHKHM-DEOSSOPVSA-N 1 1 484.980 4.522 50 0 JJAAMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000018191359 556301223 /nfs/dbraw/zinc/30/12/23/556301223.db2.gz VTQZMJYMVSHJPH-UHFFFAOYSA-N 1 1 489.428 4.789 50 0 JJAAMO CCCCOc1c(Cl)cc(C(=O)N2CCC[N@@H+](CCc3ccncc3)CC2)cc1Cl ZINC000027745504 556305044 /nfs/dbraw/zinc/30/50/44/556305044.db2.gz SSJPDTNAWFCHSY-UHFFFAOYSA-N 1 1 450.410 4.958 50 0 JJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000019337205 556342739 /nfs/dbraw/zinc/34/27/39/556342739.db2.gz GKOAJLSYQKNTRN-BKMJKUGQSA-N 1 1 496.659 4.690 50 0 JJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)ccc21 ZINC000019608276 556357635 /nfs/dbraw/zinc/35/76/35/556357635.db2.gz NDEJQPAKBFAGCY-UHFFFAOYSA-N 1 1 487.600 4.798 50 0 JJAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000019740212 556364140 /nfs/dbraw/zinc/36/41/40/556364140.db2.gz SNOQQUKTUJJBPJ-NDEPHWFRSA-N 1 1 494.643 4.834 50 0 JJAAMO CCOC(=O)c1c(C)n(-c2ccccc2)c2c1c(O)c(OC)c(Br)c2C[NH+](C)C ZINC000019790690 556370365 /nfs/dbraw/zinc/37/03/65/556370365.db2.gz KIAVXTHWTNXRLU-UHFFFAOYSA-N 1 1 461.356 4.654 50 0 JJAAMO COC(=O)c1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793717 556373128 /nfs/dbraw/zinc/37/31/28/556373128.db2.gz XNVRSHDFFMEZPP-UHFFFAOYSA-N 1 1 481.596 4.530 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCCCC2)cc1OC ZINC000032623497 556453334 /nfs/dbraw/zinc/45/33/34/556453334.db2.gz LULVHTPNKBCULM-HSZRJFAPSA-N 1 1 463.578 4.933 50 0 JJAAMO O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1CN1CC[NH+](Cc2ccsc2)CC1 ZINC000032815027 556502440 /nfs/dbraw/zinc/50/24/40/556502440.db2.gz XQBAGIFTNQWHSD-UHFFFAOYSA-N 1 1 495.446 4.663 50 0 JJAAMO Brc1cccc(-c2ccc(C[NH+]3CCN(Cc4nc(-c5cccnc5)no4)CC3)s2)c1 ZINC000032928736 556545594 /nfs/dbraw/zinc/54/55/94/556545594.db2.gz LZZJDVFXDBLXJR-UHFFFAOYSA-N 1 1 496.434 4.940 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(F)c2)C(=O)c2ccccc2S3)CC1 ZINC000008583523 562940298 /nfs/dbraw/zinc/94/02/98/562940298.db2.gz XGCGGJKXQRWBLG-UHFFFAOYSA-N 1 1 475.589 4.915 50 0 JJAAMO CC[C@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590204 562942555 /nfs/dbraw/zinc/94/25/55/562942555.db2.gz WYVNWVLNIMVDCG-SFHVURJKSA-N 1 1 454.596 4.817 50 0 JJAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000034783166 563114995 /nfs/dbraw/zinc/11/49/95/563114995.db2.gz XBDLIAMFDAPGOF-DHLKQENFSA-N 1 1 493.604 4.691 50 0 JJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000034783166 563114996 /nfs/dbraw/zinc/11/49/96/563114996.db2.gz XBDLIAMFDAPGOF-DHLKQENFSA-N 1 1 493.604 4.691 50 0 JJAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057121052 569594544 /nfs/dbraw/zinc/59/45/44/569594544.db2.gz RHIBDXKMQJLMGR-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 JJAAMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1 ZINC000057254359 569595017 /nfs/dbraw/zinc/59/50/17/569595017.db2.gz YNNFNCGZYBTPTE-UHFFFAOYSA-N 1 1 465.022 4.789 50 0 JJAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000057318540 569598621 /nfs/dbraw/zinc/59/86/21/569598621.db2.gz UAJKATHHHYZFFG-HSZRJFAPSA-N 1 1 454.473 4.701 50 0 JJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1Br ZINC000008722393 569598916 /nfs/dbraw/zinc/59/89/16/569598916.db2.gz WWKUUJTVBLPLDF-NRFANRHFSA-N 1 1 484.419 4.932 50 0 JJAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1Br ZINC000008722393 569598918 /nfs/dbraw/zinc/59/89/18/569598918.db2.gz WWKUUJTVBLPLDF-NRFANRHFSA-N 1 1 484.419 4.932 50 0 JJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983625 569606863 /nfs/dbraw/zinc/60/68/63/569606863.db2.gz ITGJPHGBIPGYQA-QQXSKIMKSA-N 1 1 487.987 4.890 50 0 JJAAMO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000062566720 569611177 /nfs/dbraw/zinc/61/11/77/569611177.db2.gz AMTWGMKSVJXGJZ-BKMJKUGQSA-N 1 1 491.657 4.809 50 0 JJAAMO COc1cc(Cl)c(C[N@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000064045342 569616162 /nfs/dbraw/zinc/61/61/62/569616162.db2.gz TXZPHMYGPHTFKV-UHFFFAOYSA-N 1 1 456.892 4.611 50 0 JJAAMO COc1cc(Cl)c(C[N@@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000064045342 569616163 /nfs/dbraw/zinc/61/61/63/569616163.db2.gz TXZPHMYGPHTFKV-UHFFFAOYSA-N 1 1 456.892 4.611 50 0 JJAAMO CC(C)(C)Nc1c(-c2ccccc2)nc2sc(N3CC[NH+](CCOc4ccccc4)CC3)nn21 ZINC000064746801 569625932 /nfs/dbraw/zinc/62/59/32/569625932.db2.gz BRXAJHQAPPZUFD-UHFFFAOYSA-N 1 1 476.650 4.869 50 0 JJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)nc(N2CCCC2)[nH+]1 ZINC000064802095 569631901 /nfs/dbraw/zinc/63/19/01/569631901.db2.gz BJVAXMIYZKUZAI-UHFFFAOYSA-N 1 1 451.596 4.855 50 0 JJAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000064820227 569636023 /nfs/dbraw/zinc/63/60/23/569636023.db2.gz BFCONDYKOCAKMC-UHFFFAOYSA-N 1 1 460.397 4.652 50 0 JJAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000034668498 569640587 /nfs/dbraw/zinc/64/05/87/569640587.db2.gz RSEBLNROHOFYGE-UHFFFAOYSA-N 1 1 483.534 4.966 50 0 JJAAMO COc1cc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O ZINC000034683894 569644794 /nfs/dbraw/zinc/64/47/94/569644794.db2.gz FOBDQNDJEKUBMG-UHFFFAOYSA-N 1 1 466.603 4.569 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1)Cc1ccccc1 ZINC000065023357 569649837 /nfs/dbraw/zinc/64/98/37/569649837.db2.gz RCTHWNDLMYKDRU-AREMUKBSSA-N 1 1 471.649 4.697 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000034716786 569651883 /nfs/dbraw/zinc/65/18/83/569651883.db2.gz RAFFUFMWAUILHI-SGNDLWITSA-N 1 1 484.587 4.681 50 0 JJAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787173 569659562 /nfs/dbraw/zinc/65/95/62/569659562.db2.gz JOGOBTZBNFLWAW-SANMLTNESA-N 1 1 494.060 4.724 50 0 JJAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787173 569659564 /nfs/dbraw/zinc/65/95/64/569659564.db2.gz JOGOBTZBNFLWAW-SANMLTNESA-N 1 1 494.060 4.724 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787732 569659900 /nfs/dbraw/zinc/65/99/00/569659900.db2.gz WEHXZSUTNGVQMX-AMGIVPHBSA-N 1 1 481.706 4.891 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787732 569659901 /nfs/dbraw/zinc/65/99/01/569659901.db2.gz WEHXZSUTNGVQMX-AMGIVPHBSA-N 1 1 481.706 4.891 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034829622 569663153 /nfs/dbraw/zinc/66/31/53/569663153.db2.gz YDPVSVGGKWZDAA-KILDZCDESA-N 1 1 499.680 4.559 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034829622 569663155 /nfs/dbraw/zinc/66/31/55/569663155.db2.gz YDPVSVGGKWZDAA-KILDZCDESA-N 1 1 499.680 4.559 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000034829805 569663408 /nfs/dbraw/zinc/66/34/08/569663408.db2.gz LDCWNCBLYGBSAA-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000034829805 569663409 /nfs/dbraw/zinc/66/34/09/569663409.db2.gz LDCWNCBLYGBSAA-DFHRPNOPSA-N 1 1 487.669 4.686 50 0 JJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000034830526 569663913 /nfs/dbraw/zinc/66/39/13/569663913.db2.gz FIZHXPKOFMSLRV-CJAUYULYSA-N 1 1 497.661 4.659 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833454 569664528 /nfs/dbraw/zinc/66/45/28/569664528.db2.gz XRIGNIHDMZHMHE-GOSISDBHSA-N 1 1 451.590 4.827 50 0 JJAAMO COc1cccc(Nc2nc(-c3ccc(Cl)cc3)ncc2C(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000034921891 569672624 /nfs/dbraw/zinc/67/26/24/569672624.db2.gz FUOZCOZSVWZOKV-FQEVSTJZSA-N 1 1 465.985 4.763 50 0 JJAAMO Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2F)cc1Cl ZINC000035146186 569675779 /nfs/dbraw/zinc/67/57/79/569675779.db2.gz FRUDWEVWYUNRJF-UHFFFAOYSA-N 1 1 494.032 4.679 50 0 JJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCCCC1 ZINC000069930256 569693937 /nfs/dbraw/zinc/69/39/37/569693937.db2.gz JTNMSAQRKXPJKW-NRFANRHFSA-N 1 1 487.641 4.630 50 0 JJAAMO O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000035562031 569704619 /nfs/dbraw/zinc/70/46/19/569704619.db2.gz GKSMRCHMIAZBGT-UHFFFAOYSA-N 1 1 493.051 4.628 50 0 JJAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)O ZINC000035842615 569714219 /nfs/dbraw/zinc/71/42/19/569714219.db2.gz DFSJDMWZYTUEFP-HSZRJFAPSA-N 1 1 493.692 4.756 50 0 JJAAMO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035871398 569718570 /nfs/dbraw/zinc/71/85/70/569718570.db2.gz REIKCLCKTQUTHI-UNMCSNQZSA-N 1 1 463.931 4.501 50 0 JJAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871506 569718707 /nfs/dbraw/zinc/71/87/07/569718707.db2.gz KXICAUUNWVOIRH-ILBGXUMGSA-N 1 1 471.567 4.670 50 0 JJAAMO CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871437 569718844 /nfs/dbraw/zinc/71/88/44/569718844.db2.gz QSOSOQCWOHHERG-JFJYTDJESA-N 1 1 463.519 4.622 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871760 569718880 /nfs/dbraw/zinc/71/88/80/569718880.db2.gz MERTWDHXFPMKRY-WIJPHRNOSA-N 1 1 473.592 4.575 50 0 JJAAMO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@H]23)c1 ZINC000035871985 569719036 /nfs/dbraw/zinc/71/90/36/569719036.db2.gz YPEURFYYLXTQCU-LADGPHEKSA-N 1 1 473.539 4.958 50 0 JJAAMO Cc1[nH+]ccn1CC(=O)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000094568744 569721568 /nfs/dbraw/zinc/72/15/68/569721568.db2.gz FNYGWXSATBUBER-SANMLTNESA-N 1 1 462.569 4.862 50 0 in-vitro JJAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908049 569723611 /nfs/dbraw/zinc/72/36/11/569723611.db2.gz VJSJAAOSEDNDGH-LADGPHEKSA-N 1 1 477.546 4.870 50 0 JJAAMO COc1cccc(-c2nc3ccc(-c4ccc(C(C)=O)cc4)cn3c2C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000095597821 569727845 /nfs/dbraw/zinc/72/78/45/569727845.db2.gz GQLCZNXVVWMBRN-UHFFFAOYSA-N 1 1 482.584 4.544 50 0 JJAAMO c1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCC[N@H+](Cc4ccccn4)CC3)c12 ZINC000035925673 569729045 /nfs/dbraw/zinc/72/90/45/569729045.db2.gz IMMADLWJIGYKHL-UHFFFAOYSA-N 1 1 475.600 4.514 50 0 JJAAMO Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000095925556 569730275 /nfs/dbraw/zinc/73/02/75/569730275.db2.gz YQASTZJPLWMDTG-UHFFFAOYSA-N 1 1 497.668 4.846 50 0 JJAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100164050 569754316 /nfs/dbraw/zinc/75/43/16/569754316.db2.gz MXOYPWKNIFULLV-LJQANCHMSA-N 1 1 476.886 4.747 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000036043079 569754599 /nfs/dbraw/zinc/75/45/99/569754599.db2.gz YEAXIPIGHGELID-XHCCPWGMSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000036043079 569754600 /nfs/dbraw/zinc/75/46/00/569754600.db2.gz YEAXIPIGHGELID-XHCCPWGMSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2)c1 ZINC000036043076 569754608 /nfs/dbraw/zinc/75/46/08/569754608.db2.gz YEAXIPIGHGELID-UZTOHYMASA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2)c1 ZINC000036043076 569754609 /nfs/dbraw/zinc/75/46/09/569754609.db2.gz YEAXIPIGHGELID-UZTOHYMASA-N 1 1 460.574 4.630 50 0 JJAAMO CC[C@H](NC(=O)NC(C)(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048484 569756063 /nfs/dbraw/zinc/75/60/63/569756063.db2.gz NDQCCZHVDTVBFU-XUZZJYLKSA-N 1 1 457.590 4.819 50 0 JJAAMO CC[C@H](NC(=O)NC(C)(C)C)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048484 569756064 /nfs/dbraw/zinc/75/60/64/569756064.db2.gz NDQCCZHVDTVBFU-XUZZJYLKSA-N 1 1 457.590 4.819 50 0 JJAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036310782 569759467 /nfs/dbraw/zinc/75/94/67/569759467.db2.gz NWRZMBSBBHLFBN-SQJMNOBHSA-N 1 1 454.659 4.919 50 0 JJAAMO Cc1ccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)C(C)C)cc1 ZINC000036312127 569759942 /nfs/dbraw/zinc/75/99/42/569759942.db2.gz VYXPDMJMPRVXEO-UHFFFAOYSA-N 1 1 450.558 4.592 50 0 JJAAMO COc1ccccc1C(=O)N(CCC(C)C)Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1 ZINC000036313495 569760829 /nfs/dbraw/zinc/76/08/29/569760829.db2.gz JOXJCRYXADREBA-UHFFFAOYSA-N 1 1 476.621 4.791 50 0 JJAAMO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313721 569760915 /nfs/dbraw/zinc/76/09/15/569760915.db2.gz WNMWBQKYCHQXOU-QHCPKHFHSA-N 1 1 467.610 4.981 50 0 JJAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036313721 569760916 /nfs/dbraw/zinc/76/09/16/569760916.db2.gz WNMWBQKYCHQXOU-QHCPKHFHSA-N 1 1 467.610 4.981 50 0 JJAAMO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313912 569761469 /nfs/dbraw/zinc/76/14/69/569761469.db2.gz BRIJXDYTKDHOMY-HSZRJFAPSA-N 1 1 467.610 4.981 50 0 JJAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313912 569761470 /nfs/dbraw/zinc/76/14/70/569761470.db2.gz BRIJXDYTKDHOMY-HSZRJFAPSA-N 1 1 467.610 4.981 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036316519 569763155 /nfs/dbraw/zinc/76/31/55/569763155.db2.gz GBDVKPKFFPLJHD-JOCHJYFZSA-N 1 1 455.574 4.976 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340983 569764153 /nfs/dbraw/zinc/76/41/53/569764153.db2.gz ZHQUDQWQQBXNHP-OFVILXPXSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340983 569764155 /nfs/dbraw/zinc/76/41/55/569764155.db2.gz ZHQUDQWQQBXNHP-OFVILXPXSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341095 569764315 /nfs/dbraw/zinc/76/43/15/569764315.db2.gz ZZALIIXHNNHZJH-MBSDFSHPSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341095 569764317 /nfs/dbraw/zinc/76/43/17/569764317.db2.gz ZZALIIXHNNHZJH-MBSDFSHPSA-N 1 1 488.415 4.946 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000036341708 569764698 /nfs/dbraw/zinc/76/46/98/569764698.db2.gz JYMOXAGCNJWHGQ-QHCPKHFHSA-N 1 1 455.986 4.767 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036342043 569765382 /nfs/dbraw/zinc/76/53/82/569765382.db2.gz UIVGOZKRDXSJHR-XMMPIXPASA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036342043 569765383 /nfs/dbraw/zinc/76/53/83/569765383.db2.gz UIVGOZKRDXSJHR-XMMPIXPASA-N 1 1 485.600 4.594 50 0 JJAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036342245 569765671 /nfs/dbraw/zinc/76/56/71/569765671.db2.gz XSRXHLDFABBOSZ-JOCHJYFZSA-N 1 1 474.388 4.510 50 0 JJAAMO CCOc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344106 569766749 /nfs/dbraw/zinc/76/67/49/569766749.db2.gz PVZKMFIULVXVGL-PMERELPUSA-N 1 1 496.655 4.889 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344190 569766858 /nfs/dbraw/zinc/76/68/58/569766858.db2.gz GXTGRWQTMSIWJV-VWLOTQADSA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344190 569766859 /nfs/dbraw/zinc/76/68/59/569766859.db2.gz GXTGRWQTMSIWJV-VWLOTQADSA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000036344229 569766863 /nfs/dbraw/zinc/76/68/63/569766863.db2.gz PNKCHSXWLUQKDV-SBUREZEXSA-N 1 1 455.986 4.909 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036344355 569766932 /nfs/dbraw/zinc/76/69/32/569766932.db2.gz RSMNCALSVAUVBK-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036344355 569766933 /nfs/dbraw/zinc/76/69/33/569766933.db2.gz RSMNCALSVAUVBK-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2C)C1 ZINC000036345013 569767565 /nfs/dbraw/zinc/76/75/65/569767565.db2.gz OMNLSMZGSICYPD-GJZUVCINSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2C)C1 ZINC000036345013 569767566 /nfs/dbraw/zinc/76/75/66/569767566.db2.gz OMNLSMZGSICYPD-GJZUVCINSA-N 1 1 461.606 4.565 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)cc1 ZINC000036345421 569767901 /nfs/dbraw/zinc/76/79/01/569767901.db2.gz VMFJMECRDMKGKQ-NDEPHWFRSA-N 1 1 470.592 4.630 50 0 JJAAMO COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036345660 569768089 /nfs/dbraw/zinc/76/80/89/569768089.db2.gz MOWWUMOJKLNNHS-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345756 569768179 /nfs/dbraw/zinc/76/81/79/569768179.db2.gz HBSNEZLPOPAUMA-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345755 569768235 /nfs/dbraw/zinc/76/82/35/569768235.db2.gz HBSNEZLPOPAUMA-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346147 569769092 /nfs/dbraw/zinc/76/90/92/569769092.db2.gz PVIPBCROOWJOCI-VWLOTQADSA-N 1 1 481.637 4.763 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COCC(C)C ZINC000036346147 569769093 /nfs/dbraw/zinc/76/90/93/569769093.db2.gz PVIPBCROOWJOCI-VWLOTQADSA-N 1 1 481.637 4.763 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346209 569769331 /nfs/dbraw/zinc/76/93/31/569769331.db2.gz RNSDBVZTVJTLIY-RSXGOPAZSA-N 1 1 479.621 4.660 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346209 569769333 /nfs/dbraw/zinc/76/93/33/569769333.db2.gz RNSDBVZTVJTLIY-RSXGOPAZSA-N 1 1 479.621 4.660 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036346332 569769497 /nfs/dbraw/zinc/76/94/97/569769497.db2.gz QOVBHQXOHCUKOD-QHCPKHFHSA-N 1 1 453.558 4.862 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036346332 569769498 /nfs/dbraw/zinc/76/94/98/569769498.db2.gz QOVBHQXOHCUKOD-QHCPKHFHSA-N 1 1 453.558 4.862 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346259 569769518 /nfs/dbraw/zinc/76/95/18/569769518.db2.gz HEVIRUAXRDZWNT-QHCPKHFHSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036346259 569769519 /nfs/dbraw/zinc/76/95/19/569769519.db2.gz HEVIRUAXRDZWNT-QHCPKHFHSA-N 1 1 485.600 4.737 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036346613 569770450 /nfs/dbraw/zinc/77/04/50/569770450.db2.gz FWZPTXDDBYEBFN-NRFANRHFSA-N 1 1 459.537 4.861 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)C(C)C ZINC000036346679 569770546 /nfs/dbraw/zinc/77/05/46/569770546.db2.gz MDLBXILSRCKCTJ-DEOSSOPVSA-N 1 1 459.537 4.717 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)C(C)C ZINC000036346679 569770547 /nfs/dbraw/zinc/77/05/47/569770547.db2.gz MDLBXILSRCKCTJ-DEOSSOPVSA-N 1 1 459.537 4.717 50 0 JJAAMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000037210658 569781677 /nfs/dbraw/zinc/78/16/77/569781677.db2.gz PEFBEEUTZQVFCX-PGRDOPGGSA-N 1 1 465.619 4.857 50 0 JJAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)c1cccs1 ZINC000037378413 569784556 /nfs/dbraw/zinc/78/45/56/569784556.db2.gz RCDFBAYMAWDLQR-UHFFFAOYSA-N 1 1 460.578 4.903 50 0 JJAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)c1cccs1 ZINC000037378413 569784558 /nfs/dbraw/zinc/78/45/58/569784558.db2.gz RCDFBAYMAWDLQR-UHFFFAOYSA-N 1 1 460.578 4.903 50 0 JJAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000037571140 569795947 /nfs/dbraw/zinc/79/59/47/569795947.db2.gz LDKMYMHZHWUZLM-UHFFFAOYSA-N 1 1 472.557 4.833 50 0 JJAAMO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546488 569803216 /nfs/dbraw/zinc/80/32/16/569803216.db2.gz PWFLNOOZJYMCMX-DEOSSOPVSA-N 1 1 465.619 4.818 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccsc1)Sc1ccccc1-2 ZINC000039358027 569809498 /nfs/dbraw/zinc/80/94/98/569809498.db2.gz CBMZHJDZUYEJHJ-YADARESESA-N 1 1 479.671 4.811 50 0 JJAAMO COCCOc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)cn1 ZINC000040120097 569816758 /nfs/dbraw/zinc/81/67/58/569816758.db2.gz IYXMHUIUASIXSH-UHFFFAOYSA-N 1 1 469.800 4.910 50 0 JJAAMO CC[C@@H](C(=O)N1CC[NH+](CC)CC1)N(c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1OC ZINC000040388790 569824717 /nfs/dbraw/zinc/82/47/17/569824717.db2.gz WEBDCVFYVPMMLS-QHCPKHFHSA-N 1 1 494.661 4.908 50 0 JJAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000103027675 569832016 /nfs/dbraw/zinc/83/20/16/569832016.db2.gz VCOSMFDYDVSERY-DCFHFQCYSA-N 1 1 473.573 4.552 50 0 JJAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000103027675 569832017 /nfs/dbraw/zinc/83/20/17/569832017.db2.gz VCOSMFDYDVSERY-DCFHFQCYSA-N 1 1 473.573 4.552 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C)C2)[C@@H]1c1cccs1 ZINC000103727168 569837544 /nfs/dbraw/zinc/83/75/44/569837544.db2.gz LIGYPBGXMHTTCT-OPXMRZJTSA-N 1 1 467.679 4.923 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983959 569848453 /nfs/dbraw/zinc/84/84/53/569848453.db2.gz CNPGBJQSGNXOQF-IZZNHLLZSA-N 1 1 466.528 4.538 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008304 569850143 /nfs/dbraw/zinc/85/01/43/569850143.db2.gz ZZALIIXHNNHZJH-FDDCHVKYSA-N 1 1 488.415 4.946 50 0 JJAAMO 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COc1ccccc1[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000105042622 569851832 /nfs/dbraw/zinc/85/18/32/569851832.db2.gz WSLXXLUDWZREKZ-SHQCIBLASA-N 1 1 459.634 4.934 50 0 JJAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000052606399 569852416 /nfs/dbraw/zinc/85/24/16/569852416.db2.gz QALZMADIBPQZAZ-PXNSSMCTSA-N 1 1 462.541 4.842 50 0 JJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000105061415 569852718 /nfs/dbraw/zinc/85/27/18/569852718.db2.gz FIZHXPKOFMSLRV-IQGLISFBSA-N 1 1 497.661 4.659 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(Br)c1 ZINC000108522012 569859549 /nfs/dbraw/zinc/85/95/49/569859549.db2.gz KYEUWQRVZZOKSC-DXBBTUNJSA-N 1 1 493.401 4.888 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(Br)c1 ZINC000108522012 569859550 /nfs/dbraw/zinc/85/95/50/569859550.db2.gz KYEUWQRVZZOKSC-DXBBTUNJSA-N 1 1 493.401 4.888 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O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000057464069 195342323 /nfs/dbraw/zinc/34/23/23/195342323.db2.gz YFHSBVRSLHRWAC-LNEBKTTKSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccc(F)cc12 ZINC000057464069 195342326 /nfs/dbraw/zinc/34/23/26/195342326.db2.gz YFHSBVRSLHRWAC-LNEBKTTKSA-N 1 1 461.924 4.782 50 0 JJAAMO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000059410738 195399041 /nfs/dbraw/zinc/39/90/41/195399041.db2.gz UJIPMGQYUYGSPA-OYRHEFFESA-N 1 1 477.678 4.727 50 0 JJAAMO CN(C(=O)COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000064067020 195433835 /nfs/dbraw/zinc/43/38/35/195433835.db2.gz QDZOSKJNQNBEGT-UHFFFAOYSA-N 1 1 499.659 4.636 50 0 JJAAMO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096343575 130074004 /nfs/dbraw/zinc/07/40/04/130074004.db2.gz PWZZUQJEROFAAU-HYBUGGRVSA-N 1 1 480.992 4.873 50 0 JJAAMO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000014879532 519394697 /nfs/dbraw/zinc/39/46/97/519394697.db2.gz KFOILDGULDYFMK-QHCPKHFHSA-N 1 1 457.578 4.600 50 0 JJAAMO CC(=O)Nc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000021662858 519707874 /nfs/dbraw/zinc/70/78/74/519707874.db2.gz VWHXKSGWXHKBEA-UHFFFAOYSA-N 1 1 464.569 4.818 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307236 519771556 /nfs/dbraw/zinc/77/15/56/519771556.db2.gz ZOVBCGWOCXYJEF-ZCYQVOJMSA-N 1 1 497.611 4.785 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145995 519771592 /nfs/dbraw/zinc/77/15/92/519771592.db2.gz HQCFRKHXPZRMPJ-VXKWHMMOSA-N 1 1 451.394 4.775 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306830 519771778 /nfs/dbraw/zinc/77/17/78/519771778.db2.gz GGBVMSNYIDJUPB-GOTSBHOMSA-N 1 1 497.611 4.785 50 0 JJAAMO CC(C)c1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012218746 519830748 /nfs/dbraw/zinc/83/07/48/519830748.db2.gz ISYZDPJTCIGUMB-NRFANRHFSA-N 1 1 484.579 4.596 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146008 519881059 /nfs/dbraw/zinc/88/10/59/519881059.db2.gz BIGGIJGOPQQQFP-VXKWHMMOSA-N 1 1 479.404 4.693 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305019 520093035 /nfs/dbraw/zinc/09/30/35/520093035.db2.gz KSNQSFBPUKPBQQ-FQEVSTJZSA-N 1 1 455.986 4.895 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306910 520094023 /nfs/dbraw/zinc/09/40/23/520094023.db2.gz MIUQNNLHMCNJTO-NRFANRHFSA-N 1 1 453.558 4.628 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036303181 520096088 /nfs/dbraw/zinc/09/60/88/520096088.db2.gz OMUPCLKZZHPLQY-GOTSBHOMSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036303181 520096098 /nfs/dbraw/zinc/09/60/98/520096098.db2.gz OMUPCLKZZHPLQY-GOTSBHOMSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000036304132 520096372 /nfs/dbraw/zinc/09/63/72/520096372.db2.gz RIAMPGBEDWSVRO-NRFANRHFSA-N 1 1 459.537 4.859 50 0 JJAAMO CCOC[C@H](O)C[N@H+](CCOC)Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036307864 520152888 /nfs/dbraw/zinc/15/28/88/520152888.db2.gz KVESBRLLZSDCGB-JOCHJYFZSA-N 1 1 485.600 4.773 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036307864 520152895 /nfs/dbraw/zinc/15/28/95/520152895.db2.gz KVESBRLLZSDCGB-JOCHJYFZSA-N 1 1 485.600 4.773 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306687 520154173 /nfs/dbraw/zinc/15/41/73/520154173.db2.gz ZKEAWRPXUYHGPJ-OAQYLSRUSA-N 1 1 455.574 4.874 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304313 520155376 /nfs/dbraw/zinc/15/53/76/520155376.db2.gz VMNFQEKWOORIOC-HSZRJFAPSA-N 1 1 467.610 4.837 50 0 JJAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)CC1 ZINC000012247107 520924376 /nfs/dbraw/zinc/92/43/76/520924376.db2.gz ODFCAHLKIGGWPV-UHFFFAOYSA-N 1 1 461.562 4.726 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(OCC)cc3)[C@@H](C)C(C)C)n2)C1 ZINC000036063959 521111985 /nfs/dbraw/zinc/11/19/85/521111985.db2.gz VDSDWQAENIKMIG-RBBKRZOGSA-N 1 1 485.625 4.535 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(OCC)cc3)[C@@H](C)C(C)C)n2)C1 ZINC000036063959 521111989 /nfs/dbraw/zinc/11/19/89/521111989.db2.gz VDSDWQAENIKMIG-RBBKRZOGSA-N 1 1 485.625 4.535 50 0 JJAAMO CCC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302425 521182253 /nfs/dbraw/zinc/18/22/53/521182253.db2.gz GAXSOTVDJLZNEO-QFIPXVFZSA-N 1 1 453.583 4.591 50 0 JJAAMO CCC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036302425 521182257 /nfs/dbraw/zinc/18/22/57/521182257.db2.gz GAXSOTVDJLZNEO-QFIPXVFZSA-N 1 1 453.583 4.591 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc4ccccc4)C3)sc2c1 ZINC000020383561 521303492 /nfs/dbraw/zinc/30/34/92/521303492.db2.gz BFYYHNUJKJFLEP-OAQYLSRUSA-N 1 1 466.651 4.550 50 0 JJAAMO CCOC(=O)c1c(C)c(C(=O)N(CC)CC)sc1NC(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000016046309 521385375 /nfs/dbraw/zinc/38/53/75/521385375.db2.gz ALSGXPVWMIEKRD-HNNXBMFYSA-N 1 1 480.030 4.658 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036309143 521535462 /nfs/dbraw/zinc/53/54/62/521535462.db2.gz LWOWHYDKQFPAKV-SQHAQQRYSA-N 1 1 492.685 4.877 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036309617 521537865 /nfs/dbraw/zinc/53/78/65/521537865.db2.gz XBXRJYAQGONOTI-OZXSUGGESA-N 1 1 496.648 4.708 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036309057 521537968 /nfs/dbraw/zinc/53/79/68/521537968.db2.gz FPSPMIXGABTZRW-BVAGGSTKSA-N 1 1 478.658 4.569 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000065008933 521658977 /nfs/dbraw/zinc/65/89/77/521658977.db2.gz WWILPDVXOZIDIT-SFHVURJKSA-N 1 1 479.071 4.540 50 0 JJAAMO CCN1CC[NH+](CCCNC(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000020466668 521681523 /nfs/dbraw/zinc/68/15/23/521681523.db2.gz KRVYQNSLTCLUAF-UHFFFAOYSA-N 1 1 457.043 4.730 50 0 JJAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000036206009 521694271 /nfs/dbraw/zinc/69/42/71/521694271.db2.gz LHWHDMFZRGVDFB-HXUWFJFHSA-N 1 1 479.602 4.614 50 0 JJAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@@H](O)c1ccccc1 ZINC000036206009 521694274 /nfs/dbraw/zinc/69/42/74/521694274.db2.gz LHWHDMFZRGVDFB-HXUWFJFHSA-N 1 1 479.602 4.614 50 0 JJAAMO CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456523 521754672 /nfs/dbraw/zinc/75/46/72/521754672.db2.gz KPFSBUSLJZHBRA-UHFFFAOYSA-N 1 1 496.586 4.809 50 0 JJAAMO CCc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456523 521754679 /nfs/dbraw/zinc/75/46/79/521754679.db2.gz KPFSBUSLJZHBRA-UHFFFAOYSA-N 1 1 496.586 4.809 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036303110 522643150 /nfs/dbraw/zinc/64/31/50/522643150.db2.gz HZXHSJYRVAZVOU-QHCPKHFHSA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036303110 522643158 /nfs/dbraw/zinc/64/31/58/522643158.db2.gz HZXHSJYRVAZVOU-QHCPKHFHSA-N 1 1 499.627 4.848 50 0 JJAAMO COc1cc(OC)c(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4cccc(C)c4)CC3)no2)cc1Cl ZINC000033069243 522798131 /nfs/dbraw/zinc/79/81/31/522798131.db2.gz VMPAURLDPJPUSN-UHFFFAOYSA-N 1 1 496.995 4.909 50 0 JJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014950665 522822013 /nfs/dbraw/zinc/82/20/13/522822013.db2.gz XTICVTBMZRLQIJ-IBGZPJMESA-N 1 1 468.623 4.513 50 0 JJAAMO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CO4)cc1 ZINC000043746994 523119681 /nfs/dbraw/zinc/11/96/81/523119681.db2.gz DUNRUTJASQTNJK-OFVILXPXSA-N 1 1 460.574 4.885 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@H+]5CCCC[C@@H]35)CO4)c2=O)cc1 ZINC000043746970 523158033 /nfs/dbraw/zinc/15/80/33/523158033.db2.gz XPTWAYCLCYQFRO-CPJSRVTESA-N 1 1 460.574 4.885 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206305 523173825 /nfs/dbraw/zinc/17/38/25/523173825.db2.gz UZXHUALKYXWKRU-NRFANRHFSA-N 1 1 499.677 4.828 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)COC(C)C ZINC000036246124 523262562 /nfs/dbraw/zinc/26/25/62/523262562.db2.gz FYMJBCKRZYAQMK-SANMLTNESA-N 1 1 493.648 4.529 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@@H](O)COC(C)C ZINC000036246123 523264970 /nfs/dbraw/zinc/26/49/70/523264970.db2.gz FYMJBCKRZYAQMK-AREMUKBSSA-N 1 1 493.648 4.529 50 0 JJAAMO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccco3)CC2)c1)Cc1cccc2ccccc21 ZINC000012278696 523316321 /nfs/dbraw/zinc/31/63/21/523316321.db2.gz PZIXSVRHSPAAJP-UHFFFAOYSA-N 1 1 483.612 4.902 50 0 JJAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000014882142 523483365 /nfs/dbraw/zinc/48/33/65/523483365.db2.gz FOLLTDVIHXPQLS-UHFFFAOYSA-N 1 1 456.633 4.612 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306028 523734440 /nfs/dbraw/zinc/73/44/40/523734440.db2.gz XWOGRYPRKUYWSS-QFIPXVFZSA-N 1 1 497.636 4.512 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036304677 523738372 /nfs/dbraw/zinc/73/83/72/523738372.db2.gz LBHPNJWJXAFWND-RUZDIDTESA-N 1 1 481.637 4.763 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036304677 523738381 /nfs/dbraw/zinc/73/83/81/523738381.db2.gz LBHPNJWJXAFWND-RUZDIDTESA-N 1 1 481.637 4.763 50 0 JJAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1 ZINC000004142919 523859335 /nfs/dbraw/zinc/85/93/35/523859335.db2.gz TXASOBSTKPCXCN-XMMPIXPASA-N 1 1 491.632 4.801 50 0 JJAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1 ZINC000004142910 523860082 /nfs/dbraw/zinc/86/00/82/523860082.db2.gz TXASOBSTKPCXCN-DEOSSOPVSA-N 1 1 491.632 4.801 50 0 JJAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)o1 ZINC000014958644 523929730 /nfs/dbraw/zinc/92/97/30/523929730.db2.gz OXXHSNUIGFOIFI-DEOSSOPVSA-N 1 1 463.626 4.626 50 0 JJAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c(C)c1 ZINC000036064039 524413993 /nfs/dbraw/zinc/41/39/93/524413993.db2.gz PCPPIUKNIRGXLB-DEOSSOPVSA-N 1 1 486.616 4.926 50 0 JJAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)c(C)c1 ZINC000036064039 524414002 /nfs/dbraw/zinc/41/40/02/524414002.db2.gz PCPPIUKNIRGXLB-DEOSSOPVSA-N 1 1 486.616 4.926 50 0 JJAAMO COc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4cccc(Cl)c4)CC3)no2)c(OC)c1 ZINC000008599084 524487386 /nfs/dbraw/zinc/48/73/86/524487386.db2.gz NJRYPDYLCSSVES-UHFFFAOYSA-N 1 1 482.968 4.601 50 0 JJAAMO COc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4cccc(Cl)c4)CC3)no2)c(OC)c1 ZINC000008599084 524487397 /nfs/dbraw/zinc/48/73/97/524487397.db2.gz NJRYPDYLCSSVES-UHFFFAOYSA-N 1 1 482.968 4.601 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3sc4ncccc4c3-n3cccc3)C[C@@H]2C)c1 ZINC000008610846 524555959 /nfs/dbraw/zinc/55/59/59/524555959.db2.gz DWZLFMLFRFUUHZ-NRFANRHFSA-N 1 1 473.646 4.726 50 0 JJAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326730 524578874 /nfs/dbraw/zinc/57/88/74/524578874.db2.gz PABJEEGZOVIKSI-UHFFFAOYSA-N 1 1 468.945 4.671 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301986 524694842 /nfs/dbraw/zinc/69/48/42/524694842.db2.gz QKRGENKECUPXEP-HSZRJFAPSA-N 1 1 467.610 4.978 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302277 524696200 /nfs/dbraw/zinc/69/62/00/524696200.db2.gz ACKLKDJIRUZXPG-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c(-c4ccc(C)cc4)nc4cccnc43)CC2)cc1 ZINC000033139730 525132725 /nfs/dbraw/zinc/13/27/25/525132725.db2.gz DLXWKINNVSPHMR-UHFFFAOYSA-N 1 1 454.578 4.565 50 0 JJAAMO COc1ccc([C@@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447006 525283908 /nfs/dbraw/zinc/28/39/08/525283908.db2.gz DDDBZNUCIWOQOM-AHKZPQOWSA-N 1 1 467.993 4.709 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146602 525313652 /nfs/dbraw/zinc/31/36/52/525313652.db2.gz JFBQOXJOFFFKRB-RPBOFIJWSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146602 525313663 /nfs/dbraw/zinc/31/36/63/525313663.db2.gz JFBQOXJOFFFKRB-RPBOFIJWSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698255 525324359 /nfs/dbraw/zinc/32/43/59/525324359.db2.gz MORCBXLLHGRHHJ-HHHXNRCGSA-N 1 1 491.538 4.693 50 0 JJAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000014991272 525568768 /nfs/dbraw/zinc/56/87/68/525568768.db2.gz VBPXCVHWHAIKRX-DVECYGJZSA-N 1 1 466.553 4.739 50 0 JJAAMO Cc1cc2nc(N3CCC[N@@H+](Cc4ccc(Oc5ncccn5)cc4)CC3)nc(C)c2cc1C ZINC000012449934 525676733 /nfs/dbraw/zinc/67/67/33/525676733.db2.gz HFUOXFANOOFOJM-UHFFFAOYSA-N 1 1 454.578 4.850 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146705 525924812 /nfs/dbraw/zinc/92/48/12/525924812.db2.gz RKFUDVIFDIWMRZ-JYFHCDHNSA-N 1 1 480.992 4.784 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146330 525925172 /nfs/dbraw/zinc/92/51/72/525925172.db2.gz FAXDELZOWUIHHJ-BDYUSTAISA-N 1 1 495.019 4.922 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146864 525925526 /nfs/dbraw/zinc/92/55/26/525925526.db2.gz XNFRTBQDIRKQFD-AHWVRZQESA-N 1 1 478.564 4.578 50 0 JJAAMO Cc1cc(-c2ccnc(-n3ncc(C(=O)N[C@H]4CC[N@@H+](Cc5ccccc5)C4)c3C3CC3)n2)c(C)s1 ZINC000012245876 526043712 /nfs/dbraw/zinc/04/37/12/526043712.db2.gz FJEJSMDICHPGQX-QFIPXVFZSA-N 1 1 498.656 4.889 50 0 JJAAMO CSc1ccccc1C(=O)NCc1nc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)c2)oc1C ZINC000012245003 526151714 /nfs/dbraw/zinc/15/17/14/526151714.db2.gz UFARZPXSSMNQDK-LJQANCHMSA-N 1 1 478.618 4.582 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305490 526240880 /nfs/dbraw/zinc/24/08/80/526240880.db2.gz PVLOCBQVRAPRLI-QHCPKHFHSA-N 1 1 479.621 4.886 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305414 526241517 /nfs/dbraw/zinc/24/15/17/526241517.db2.gz CCYOYNBSWSKCQG-QFIPXVFZSA-N 1 1 467.610 4.884 50 0 JJAAMO Cc1ccc2nc(COc3ccccc3C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cn2c1 ZINC000048303512 526250182 /nfs/dbraw/zinc/25/01/82/526250182.db2.gz YVWIDTNQZOMGAY-HSZRJFAPSA-N 1 1 458.562 4.772 50 0 JJAAMO Cc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)C3)[nH]c2c1 ZINC000033072150 526252389 /nfs/dbraw/zinc/25/23/89/526252389.db2.gz QAKOYEKCTQJXAV-VWLOTQADSA-N 1 1 473.665 4.549 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249831 526286300 /nfs/dbraw/zinc/28/63/00/526286300.db2.gz PZUGPPBJVZHGGH-VWLOTQADSA-N 1 1 461.606 4.874 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146529 526291304 /nfs/dbraw/zinc/29/13/04/526291304.db2.gz XOYBHBJCMBJACM-UKILVPOCSA-N 1 1 450.966 4.775 50 0 JJAAMO O=C(CCCN1C(=O)CSc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033670596 526431171 /nfs/dbraw/zinc/43/11/71/526431171.db2.gz ULOORRUUTOFGKR-UHFFFAOYSA-N 1 1 485.653 4.839 50 0 JJAAMO O=C([C@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020415150 526539456 /nfs/dbraw/zinc/53/94/56/526539456.db2.gz IPFDDRBGQRBWES-FQEVSTJZSA-N 1 1 489.620 4.544 50 0 JJAAMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000065006813 526602737 /nfs/dbraw/zinc/60/27/37/526602737.db2.gz KCKJVNOHODNQKD-FQEVSTJZSA-N 1 1 496.721 4.988 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)N1CCc2ccccc2C1 ZINC000033069242 526648767 /nfs/dbraw/zinc/64/87/67/526648767.db2.gz HNLMZKWXLQTJQF-UHFFFAOYSA-N 1 1 462.981 4.530 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)N1CCc2ccccc2C1 ZINC000033069242 526648774 /nfs/dbraw/zinc/64/87/74/526648774.db2.gz HNLMZKWXLQTJQF-UHFFFAOYSA-N 1 1 462.981 4.530 50 0 JJAAMO O=C(C[NH+]1CCC2(CC1)OCCO2)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036342244 526731350 /nfs/dbraw/zinc/73/13/50/526731350.db2.gz XSRXHLDFABBOSZ-QFIPXVFZSA-N 1 1 474.388 4.510 50 0 JJAAMO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)c12 ZINC000020516812 527523493 /nfs/dbraw/zinc/52/34/93/527523493.db2.gz LMJGRIFFJHNXTC-XMMPIXPASA-N 1 1 467.617 4.906 50 0 JJAAMO Cn1nc(C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)c2c1-c1ccccc1SC2 ZINC000020485287 527543329 /nfs/dbraw/zinc/54/33/29/527543329.db2.gz SEWCVDZECACTFE-UHFFFAOYSA-N 1 1 450.608 4.851 50 0 JJAAMO O=C(NCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1sc2ncccc2c1-n1cccc1 ZINC000033267649 527657280 /nfs/dbraw/zinc/65/72/80/527657280.db2.gz OTMUACOTMVJKAK-LJQANCHMSA-N 1 1 480.659 4.950 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146652 527662118 /nfs/dbraw/zinc/66/21/18/527662118.db2.gz YFVMFKBQGNUKNP-GGAORHGYSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146652 527662121 /nfs/dbraw/zinc/66/21/21/527662121.db2.gz YFVMFKBQGNUKNP-GGAORHGYSA-N 1 1 468.956 4.914 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(Cl)c(Cl)c1 ZINC000020412746 527666640 /nfs/dbraw/zinc/66/66/40/527666640.db2.gz FFQDIGGVTGXCIX-UHFFFAOYSA-N 1 1 458.792 4.724 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000002201996 554091299 /nfs/dbraw/zinc/09/12/99/554091299.db2.gz MWPDSDDFEAWXEZ-KAYWLYCHSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002209111 554094075 /nfs/dbraw/zinc/09/40/75/554094075.db2.gz XMWDWNVYGJCIMZ-SXOMAYOGSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000002216905 554098273 /nfs/dbraw/zinc/09/82/73/554098273.db2.gz BZTQSRGZOHJCHV-CLJLJLNGSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002316006 554145703 /nfs/dbraw/zinc/14/57/03/554145703.db2.gz YVZSDIFENZKOCZ-IZZNHLLZSA-N 1 1 451.530 4.565 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000002336635 554154171 /nfs/dbraw/zinc/15/41/71/554154171.db2.gz RISDJDSBPHYMHP-XNMGPUDCSA-N 1 1 482.540 4.825 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2C)N2NC=NC2=[NH+]3)cc1 ZINC000002351537 554161650 /nfs/dbraw/zinc/16/16/50/554161650.db2.gz HIXZEHCGHKBCBB-DQEYMECFSA-N 1 1 450.498 4.586 50 0 JJAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002395442 554182253 /nfs/dbraw/zinc/18/22/53/554182253.db2.gz WVCQTKVTKZRGET-CLJLJLNGSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(F)cc2)cc1OC ZINC000002416131 554195202 /nfs/dbraw/zinc/19/52/02/554195202.db2.gz OGRCPEPCFPPYLK-IZZNHLLZSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000002437691 554208323 /nfs/dbraw/zinc/20/83/23/554208323.db2.gz WDASHXICNSHRRO-KAYWLYCHSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000002449908 554217115 /nfs/dbraw/zinc/21/71/15/554217115.db2.gz XODIDTGDMYECJI-AOYPEHQESA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000002449907 554217154 /nfs/dbraw/zinc/21/71/54/554217154.db2.gz XODIDTGDMYECJI-AZGAKELHSA-N 1 1 468.513 4.517 50 0 JJAAMO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000008813300 554695675 /nfs/dbraw/zinc/69/56/75/554695675.db2.gz RTCICZVWOCFCPS-UHFFFAOYSA-N 1 1 493.673 4.504 50 0 JJAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 ZINC000008902274 554796093 /nfs/dbraw/zinc/79/60/93/554796093.db2.gz AELUALGXIGQOPK-UHFFFAOYSA-N 1 1 490.172 4.602 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008917840 554813553 /nfs/dbraw/zinc/81/35/53/554813553.db2.gz ORDVUOQIJHVOHF-CJPRTRIKSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008917840 554813554 /nfs/dbraw/zinc/81/35/54/554813554.db2.gz ORDVUOQIJHVOHF-CJPRTRIKSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C)C3 ZINC000009007845 554861202 /nfs/dbraw/zinc/86/12/02/554861202.db2.gz PHSGJPCQHLSALN-OAHLLOKOSA-N 1 1 487.217 4.699 50 0 JJAAMO COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C)C3 ZINC000009007845 554861206 /nfs/dbraw/zinc/86/12/06/554861206.db2.gz PHSGJPCQHLSALN-OAHLLOKOSA-N 1 1 487.217 4.699 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)CC1 ZINC000009265302 555041076 /nfs/dbraw/zinc/04/10/76/555041076.db2.gz QKJHNOWFUWFGRX-UHFFFAOYSA-N 1 1 491.632 4.885 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000009265228 555041101 /nfs/dbraw/zinc/04/11/01/555041101.db2.gz OMXJFUOCLDBLMA-UHFFFAOYSA-N 1 1 495.595 4.716 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1 ZINC000009265450 555041316 /nfs/dbraw/zinc/04/13/16/555041316.db2.gz RVCWRSDNKLHNDC-UHFFFAOYSA-N 1 1 463.578 4.648 50 0 JJAAMO CC(C)(C)[N@H+](CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)Cc1ccco1 ZINC000009268839 555044059 /nfs/dbraw/zinc/04/40/59/555044059.db2.gz RINNCXDFMGEUGZ-UHFFFAOYSA-N 1 1 477.530 4.594 50 0 JJAAMO CC(C)(C)[N@@H+](CCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)Cc1ccco1 ZINC000009268839 555044061 /nfs/dbraw/zinc/04/40/61/555044061.db2.gz RINNCXDFMGEUGZ-UHFFFAOYSA-N 1 1 477.530 4.594 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009292051 555066774 /nfs/dbraw/zinc/06/67/74/555066774.db2.gz VMOVLBLAUGUKCW-SVBPBHIXSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000009344452 555109903 /nfs/dbraw/zinc/10/99/03/555109903.db2.gz DVAKGWANPZDCGT-IZZNHLLZSA-N 1 1 468.513 4.517 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009345237 555110886 /nfs/dbraw/zinc/11/08/86/555110886.db2.gz LPVGFJHDJXLRJL-LOSJGSFVSA-N 1 1 450.498 4.586 50 0 JJAAMO CC[C@H](C)[N@@H+](CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)Cc1ccco1 ZINC000009405708 555165060 /nfs/dbraw/zinc/16/50/60/555165060.db2.gz ZEBWYIPWEMOMJO-KRWDZBQOSA-N 1 1 470.639 4.506 50 0 JJAAMO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c(C)c12 ZINC000009407813 555169433 /nfs/dbraw/zinc/16/94/33/555169433.db2.gz RBAJUDAAIPDVSK-QFIPXVFZSA-N 1 1 459.638 4.659 50 0 JJAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)n1 ZINC000009465855 555241028 /nfs/dbraw/zinc/24/10/28/555241028.db2.gz ZYCSAQULDPKKBX-MRXNPFEDSA-N 1 1 453.877 4.785 50 0 JJAAMO CC[C@H](Sc1nc2ccccc2c2nc(CCn3c[nH+]cc3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000009472227 555255201 /nfs/dbraw/zinc/25/52/01/555255201.db2.gz QCEZXQMYHYPSCS-QHCPKHFHSA-N 1 1 499.644 4.521 50 0 JJAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)c2O)cc1 ZINC000013181151 555369075 /nfs/dbraw/zinc/36/90/75/555369075.db2.gz HCOBYYDUGAQKTF-CALCHBBNSA-N 1 1 451.567 4.563 50 0 JJAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c(C)c2O)cc1 ZINC000013181151 555369079 /nfs/dbraw/zinc/36/90/79/555369079.db2.gz HCOBYYDUGAQKTF-CALCHBBNSA-N 1 1 451.567 4.563 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009595594 555412202 /nfs/dbraw/zinc/41/22/02/555412202.db2.gz WUIUAKSEQYCVJC-SFHVURJKSA-N 1 1 487.991 4.751 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009595594 555412204 /nfs/dbraw/zinc/41/22/04/555412204.db2.gz WUIUAKSEQYCVJC-SFHVURJKSA-N 1 1 487.991 4.751 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)C1 ZINC000013497078 555412562 /nfs/dbraw/zinc/41/25/62/555412562.db2.gz RJDARHZKIIQTHN-HDICACEKSA-N 1 1 483.657 4.684 50 0 JJAAMO CCCn1c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009712045 555435506 /nfs/dbraw/zinc/43/55/06/555435506.db2.gz QRGVTQPJDOXTHJ-UHFFFAOYSA-N 1 1 497.690 4.686 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009713713 555440965 /nfs/dbraw/zinc/44/09/65/555440965.db2.gz CVXWHHQVCGZHKV-VWLOTQADSA-N 1 1 455.558 4.504 50 0 JJAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000009723771 555455582 /nfs/dbraw/zinc/45/55/82/555455582.db2.gz NGDDMZLJONXUDM-HXUWFJFHSA-N 1 1 465.575 4.793 50 0 JJAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000009723771 555455585 /nfs/dbraw/zinc/45/55/85/555455585.db2.gz NGDDMZLJONXUDM-HXUWFJFHSA-N 1 1 465.575 4.793 50 0 JJAAMO O=C(c1ccc(COc2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019850329 555510905 /nfs/dbraw/zinc/51/09/05/555510905.db2.gz YPNZMQIJMMQKRX-UHFFFAOYSA-N 1 1 465.391 4.986 50 0 JJAAMO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000009805959 555518687 /nfs/dbraw/zinc/51/86/87/555518687.db2.gz UYVCRMBVMODXOB-UHFFFAOYSA-N 1 1 476.448 4.953 50 0 JJAAMO C[C@@H](CC(=O)NCc1ccccc1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019877113 555524212 /nfs/dbraw/zinc/52/42/12/555524212.db2.gz LMJKEOOGBQBSRR-DEOSSOPVSA-N 1 1 469.629 4.653 50 0 JJAAMO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1C ZINC000009830258 555529398 /nfs/dbraw/zinc/52/93/98/555529398.db2.gz DQJJDJBQBHJMNH-UHFFFAOYSA-N 1 1 461.606 4.587 50 0 JJAAMO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2n1 ZINC000009972249 555571611 /nfs/dbraw/zinc/57/16/11/555571611.db2.gz VGDAQBDEZHYPBP-OXJNMPFZSA-N 1 1 470.520 4.764 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013758848 555611934 /nfs/dbraw/zinc/61/19/34/555611934.db2.gz FTTAMGFTVMVPRQ-BUUDZMLXSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013758848 555611935 /nfs/dbraw/zinc/61/19/35/555611935.db2.gz FTTAMGFTVMVPRQ-BUUDZMLXSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000013768748 555613454 /nfs/dbraw/zinc/61/34/54/555613454.db2.gz OMZCJLFMQVLRGE-FTBPSBKWSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000013768748 555613455 /nfs/dbraw/zinc/61/34/55/555613455.db2.gz OMZCJLFMQVLRGE-FTBPSBKWSA-N 1 1 458.986 4.664 50 0 JJAAMO CCOc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000013811500 555628066 /nfs/dbraw/zinc/62/80/66/555628066.db2.gz XRJFBULXLWHWTL-RRPNLBNLSA-N 1 1 482.540 4.907 50 0 JJAAMO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3)no2)C4)cc1 ZINC000020167999 555678355 /nfs/dbraw/zinc/67/83/55/555678355.db2.gz XILYDYODFDPVJW-OAQYLSRUSA-N 1 1 497.624 4.854 50 0 JJAAMO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2N(C)C1=O ZINC000020179759 555685520 /nfs/dbraw/zinc/68/55/20/555685520.db2.gz UMDOHJYWRFJAPW-MKGJRJRFSA-N 1 1 493.673 4.903 50 0 JJAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)Cc1ccccc1 ZINC000020181202 555688031 /nfs/dbraw/zinc/68/80/31/555688031.db2.gz FUZHFMAXTMKPDH-UQQQWYQISA-N 1 1 475.589 4.554 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214590 555710140 /nfs/dbraw/zinc/71/01/40/555710140.db2.gz HMIFGEBAMWSFOP-ATIYNZHBSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214590 555710144 /nfs/dbraw/zinc/71/01/44/555710144.db2.gz HMIFGEBAMWSFOP-ATIYNZHBSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214590 555710148 /nfs/dbraw/zinc/71/01/48/555710148.db2.gz HMIFGEBAMWSFOP-ATIYNZHBSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214590 555710149 /nfs/dbraw/zinc/71/01/49/555710149.db2.gz HMIFGEBAMWSFOP-ATIYNZHBSA-N 1 1 477.605 4.525 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020233283 555724236 /nfs/dbraw/zinc/72/42/36/555724236.db2.gz MOMNTZHQIYJMSS-BQJUDKOJSA-N 1 1 468.475 4.836 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020233283 555724238 /nfs/dbraw/zinc/72/42/38/555724238.db2.gz MOMNTZHQIYJMSS-BQJUDKOJSA-N 1 1 468.475 4.836 50 0 JJAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014184989 555726476 /nfs/dbraw/zinc/72/64/76/555726476.db2.gz QJLGNTINFPMPTL-RTBURBONSA-N 1 1 455.649 4.745 50 0 JJAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014184989 555726477 /nfs/dbraw/zinc/72/64/77/555726477.db2.gz QJLGNTINFPMPTL-RTBURBONSA-N 1 1 455.649 4.745 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000014240999 555741938 /nfs/dbraw/zinc/74/19/38/555741938.db2.gz BLWWTQSIFCHOJA-OFVILXPXSA-N 1 1 454.567 4.947 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(F)c2)CC1 ZINC000020289743 555761203 /nfs/dbraw/zinc/76/12/03/555761203.db2.gz VSUSTPSHWLVZQP-KOSHJBKYSA-N 1 1 453.583 4.578 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020331859 555776921 /nfs/dbraw/zinc/77/69/21/555776921.db2.gz XCJBUTYEPXPYJJ-BQJUDKOJSA-N 1 1 452.913 4.610 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020331859 555776923 /nfs/dbraw/zinc/77/69/23/555776923.db2.gz XCJBUTYEPXPYJJ-BQJUDKOJSA-N 1 1 452.913 4.610 50 0 JJAAMO CC[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532133 555800095 /nfs/dbraw/zinc/80/00/95/555800095.db2.gz YHICDQCDEZOTEO-HXUWFJFHSA-N 1 1 454.596 4.817 50 0 JJAAMO CC[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532134 555800122 /nfs/dbraw/zinc/80/01/22/555800122.db2.gz YHICDQCDEZOTEO-FQEVSTJZSA-N 1 1 454.596 4.817 50 0 JJAAMO CCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000020532239 555801155 /nfs/dbraw/zinc/80/11/55/555801155.db2.gz HHKMNTZPBXMAIF-KRWDZBQOSA-N 1 1 466.607 4.976 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000020532230 555801269 /nfs/dbraw/zinc/80/12/69/555801269.db2.gz KXBYMPFDCKEDQN-INIZCTEOSA-N 1 1 454.596 4.817 50 0 JJAAMO COc1ccc(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCc2ccsc2)cc1C ZINC000011784757 555816508 /nfs/dbraw/zinc/81/65/08/555816508.db2.gz VOVYNKGVZNSWGM-REWPJTCUSA-N 1 1 492.670 4.993 50 0 JJAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NCc2ccsc2)cc1C ZINC000011784757 555816511 /nfs/dbraw/zinc/81/65/11/555816511.db2.gz VOVYNKGVZNSWGM-REWPJTCUSA-N 1 1 492.670 4.993 50 0 JJAAMO COc1cccc2c1OCCC[N@H+]([C@@H]1CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC000011786394 555819608 /nfs/dbraw/zinc/81/96/08/555819608.db2.gz AZQRILXNSULZIQ-OAQYLSRUSA-N 1 1 462.512 4.880 50 0 JJAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014534941 555823639 /nfs/dbraw/zinc/82/36/39/555823639.db2.gz AHBBRPADRYHWJB-IZZNHLLZSA-N 1 1 460.593 4.744 50 0 JJAAMO Cc1c(O)ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc12 ZINC000020572733 555824216 /nfs/dbraw/zinc/82/42/16/555824216.db2.gz XYZWNASACULNCI-UHFFFAOYSA-N 1 1 482.580 4.592 50 0 JJAAMO O=C([C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc(O)cc2)C1)N1CCCC1 ZINC000014538389 555827852 /nfs/dbraw/zinc/82/78/52/555827852.db2.gz XBWHFKRSTUULHN-VQTJNVASSA-N 1 1 462.512 4.551 50 0 JJAAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000011840175 555833202 /nfs/dbraw/zinc/83/32/02/555833202.db2.gz QXSSXXMAYRRWNN-SXOMAYOGSA-N 1 1 494.632 4.903 50 0 JJAAMO COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000011840175 555833204 /nfs/dbraw/zinc/83/32/04/555833204.db2.gz QXSSXXMAYRRWNN-SXOMAYOGSA-N 1 1 494.632 4.903 50 0 JJAAMO C[C@@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Br)cc3)c(O)c2)C[C@@H](C)O1 ZINC000020589360 555837508 /nfs/dbraw/zinc/83/75/08/555837508.db2.gz RYOAGJPHIMOKPB-HZPDHXFCSA-N 1 1 472.383 4.700 50 0 JJAAMO Cc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)C(=O)N1 ZINC000020854882 555848028 /nfs/dbraw/zinc/84/80/28/555848028.db2.gz OZABUYXDFSNDPM-PDDLMNHVSA-N 1 1 496.611 4.723 50 0 JJAAMO C[N@H+](Cc1cscn1)[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000015008334 555852497 /nfs/dbraw/zinc/85/24/97/555852497.db2.gz KFKDUMFWNIPGIK-IBGZPJMESA-N 1 1 450.633 4.537 50 0 JJAAMO C[N@@H+](Cc1cscn1)[C@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000015008334 555852501 /nfs/dbraw/zinc/85/25/01/555852501.db2.gz KFKDUMFWNIPGIK-IBGZPJMESA-N 1 1 450.633 4.537 50 0 JJAAMO COc1cc(/C=C/C[N@H+]2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)ccc1O ZINC000015008637 555852568 /nfs/dbraw/zinc/85/25/68/555852568.db2.gz LLNZFEFBTAHAOJ-PSROHBQZSA-N 1 1 455.624 4.663 50 0 JJAAMO O[C@@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039061 555865674 /nfs/dbraw/zinc/86/56/74/555865674.db2.gz DIFYWVGMEXSQHY-XRKRLSELSA-N 1 1 456.630 4.849 50 0 JJAAMO O=C(NCCCOc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000015069411 555869169 /nfs/dbraw/zinc/86/91/69/555869169.db2.gz CORHDXDJJAUZMY-UHFFFAOYSA-N 1 1 498.549 4.622 50 0 JJAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015072579 555871610 /nfs/dbraw/zinc/87/16/10/555871610.db2.gz LGUNDIMGTDPOOL-HXGHNENCSA-N 1 1 499.659 4.760 50 0 JJAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015072579 555871613 /nfs/dbraw/zinc/87/16/13/555871613.db2.gz LGUNDIMGTDPOOL-HXGHNENCSA-N 1 1 499.659 4.760 50 0 JJAAMO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012037123 555890084 /nfs/dbraw/zinc/89/00/84/555890084.db2.gz SZHXOPXNTHGDJC-HSZRJFAPSA-N 1 1 495.627 4.715 50 0 JJAAMO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c2n1 ZINC000015276459 555892052 /nfs/dbraw/zinc/89/20/52/555892052.db2.gz VGDAQBDEZHYPBP-JXFKEZNVSA-N 1 1 470.520 4.764 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319703 555897226 /nfs/dbraw/zinc/89/72/26/555897226.db2.gz NFAWVCDHKYVBKD-UWJYYQICSA-N 1 1 488.510 4.845 50 0 JJAAMO O=C(NC[C@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4c(F)cccc4Cl)CC3)ccc2o1 ZINC000012123561 555909558 /nfs/dbraw/zinc/90/95/58/555909558.db2.gz CXRPKFOTFTZFQX-LJQANCHMSA-N 1 1 486.971 4.618 50 0 JJAAMO O=C(c1ccc(N2CCC([NH2+]Cc3nc4ccc(F)cc4[nH]3)CC2)cc1)N1CCc2ccccc2C1 ZINC000012151216 555923789 /nfs/dbraw/zinc/92/37/89/555923789.db2.gz GTEPLHVKXPKIJS-UHFFFAOYSA-N 1 1 483.591 4.659 50 0 JJAAMO CC[C@H]1C[N@@H+](CCC(=O)N[C@@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000012152858 555927264 /nfs/dbraw/zinc/92/72/64/555927264.db2.gz GQKLYLYPZABQGU-FIPFOOKPSA-N 1 1 459.590 4.668 50 0 JJAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC(C)(C)CO ZINC000012161356 555930945 /nfs/dbraw/zinc/93/09/45/555930945.db2.gz JVXPRKQBTFCTBH-LJQANCHMSA-N 1 1 452.620 4.874 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000012342383 555955265 /nfs/dbraw/zinc/95/52/65/555955265.db2.gz DOWCVTDFENAPNN-NRFANRHFSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000012342383 555955269 /nfs/dbraw/zinc/95/52/69/555955269.db2.gz DOWCVTDFENAPNN-NRFANRHFSA-N 1 1 453.995 4.564 50 0 JJAAMO CCN(C(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)no2)CC1)c1cccc(Cl)c1 ZINC000015726354 555964401 /nfs/dbraw/zinc/96/44/01/555964401.db2.gz RBRHBTALUWWMPJ-UHFFFAOYSA-N 1 1 484.984 4.672 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C)c4cc(Cl)ccc4C)CC3)n2)cc1OC ZINC000015726349 555964481 /nfs/dbraw/zinc/96/44/81/555964481.db2.gz KUHZCJDDBJEFFX-UHFFFAOYSA-N 1 1 484.984 4.591 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4cccc(Cl)c4C)CC3)n2)cc1OC ZINC000015726499 555965216 /nfs/dbraw/zinc/96/52/16/555965216.db2.gz XERMJRFFWJAWHU-UHFFFAOYSA-N 1 1 470.957 4.566 50 0 JJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000012377171 555965365 /nfs/dbraw/zinc/96/53/65/555965365.db2.gz MEMMJGXLTRSCSG-LAUBAEHRSA-N 1 1 484.522 4.935 50 0 JJAAMO Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3cc2c1 ZINC000022937919 555990968 /nfs/dbraw/zinc/99/09/68/555990968.db2.gz CTEGBHVCKMDGDH-UHFFFAOYSA-N 1 1 458.631 4.696 50 0 JJAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000022939627 555992661 /nfs/dbraw/zinc/99/26/61/555992661.db2.gz GDZYSQHMOGEHOQ-XMMPIXPASA-N 1 1 477.630 4.909 50 0 JJAAMO O=C(CN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000022995193 555996325 /nfs/dbraw/zinc/99/63/25/555996325.db2.gz HKMMOVPLDXSWGB-UHFFFAOYSA-N 1 1 497.945 4.667 50 0 JJAAMO CCCn1c(C[NH2+][C@@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012532452 556002826 /nfs/dbraw/zinc/00/28/26/556002826.db2.gz JPCXYVOAMMTCGR-XMMPIXPASA-N 1 1 468.648 4.637 50 0 JJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012533932 556006086 /nfs/dbraw/zinc/00/60/86/556006086.db2.gz LGEOMFKJLIJGAT-HSZRJFAPSA-N 1 1 475.536 4.921 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012533931 556006158 /nfs/dbraw/zinc/00/61/58/556006158.db2.gz LGEOMFKJLIJGAT-QHCPKHFHSA-N 1 1 475.536 4.921 50 0 JJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860510 556031718 /nfs/dbraw/zinc/03/17/18/556031718.db2.gz IOPSUKOVTLUHSV-GOSISDBHSA-N 1 1 473.367 4.660 50 0 JJAAMO Cn1c(=S)n(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1-c1ccccc1Cl ZINC000023257295 556035976 /nfs/dbraw/zinc/03/59/76/556035976.db2.gz RCNZCGVKUVLGRE-UHFFFAOYSA-N 1 1 478.449 4.579 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023449848 556064713 /nfs/dbraw/zinc/06/47/13/556064713.db2.gz QWGJFIICJJTHIP-HSZRJFAPSA-N 1 1 473.617 4.887 50 0 JJAAMO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000023695358 556083534 /nfs/dbraw/zinc/08/35/34/556083534.db2.gz CEBKUHZBDNECTL-UHFFFAOYSA-N 1 1 453.583 4.939 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CC[C@H](C)C2 ZINC000015946899 556084030 /nfs/dbraw/zinc/08/40/30/556084030.db2.gz JLWYVBPYMPVREH-KRWDZBQOSA-N 1 1 455.624 4.804 50 0 JJAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000023909029 556100752 /nfs/dbraw/zinc/10/07/52/556100752.db2.gz XESDYQLKFOUHJA-GDLZYMKVSA-N 1 1 453.586 4.589 50 0 JJAAMO COc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OCc1ccccc1 ZINC000012736981 556106059 /nfs/dbraw/zinc/10/60/59/556106059.db2.gz ZHOKQLIHVKQETD-JOCHJYFZSA-N 1 1 468.981 4.969 50 0 JJAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000024923825 556163440 /nfs/dbraw/zinc/16/34/40/556163440.db2.gz QEOZODXRZRHLRS-RUZDIDTESA-N 1 1 493.007 4.778 50 0 JJAAMO C[C@@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891025 556172050 /nfs/dbraw/zinc/17/20/50/556172050.db2.gz HUNCPUYVRHVDSC-WAIKUNEKSA-N 1 1 459.537 4.847 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016891079 556172081 /nfs/dbraw/zinc/17/20/81/556172081.db2.gz VVAICVLZSWPBOI-KOSHJBKYSA-N 1 1 453.583 4.578 50 0 JJAAMO C[C@H](NC(=O)c1ccc(N(C)C)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891069 556172126 /nfs/dbraw/zinc/17/21/26/556172126.db2.gz KVEZUMMMJLUUKI-DFBJGRDBSA-N 1 1 466.626 4.635 50 0 JJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(Br)cc3F)n2)C1 ZINC000012993736 556186216 /nfs/dbraw/zinc/18/62/16/556186216.db2.gz GBZHOCNEWSTULD-CHWSQXEVSA-N 1 1 456.381 4.540 50 0 JJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012994337 556186788 /nfs/dbraw/zinc/18/67/88/556186788.db2.gz AAZRHAYJTMRFEF-CJFMBICVSA-N 1 1 452.551 4.701 50 0 JJAAMO C[C@H](Oc1ncnc2scc(-c3ccc(F)cc3)c21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013014638 556205876 /nfs/dbraw/zinc/20/58/76/556205876.db2.gz YDADOTCOXLVSIN-SFHVURJKSA-N 1 1 476.577 4.609 50 0 JJAAMO O=C(c1cccc(I)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025265897 556206835 /nfs/dbraw/zinc/20/68/35/556206835.db2.gz WZFSRTPSRXUIEJ-UHFFFAOYSA-N 1 1 482.365 4.839 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(OCC)c(OC)c2)sc2c1CCCC2 ZINC000013055666 556250120 /nfs/dbraw/zinc/25/01/20/556250120.db2.gz BQPJFINHSQXCFQ-MRXNPFEDSA-N 1 1 474.623 4.670 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OCC)c(OC)c2)sc2c1CCCC2 ZINC000013055666 556250124 /nfs/dbraw/zinc/25/01/24/556250124.db2.gz BQPJFINHSQXCFQ-MRXNPFEDSA-N 1 1 474.623 4.670 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296920 556252102 /nfs/dbraw/zinc/25/21/02/556252102.db2.gz YSCBCMWBWHFJGN-XMMPIXPASA-N 1 1 484.980 4.522 50 0 JJAAMO COc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1OCCOc1cccc(Br)c1 ZINC000013059350 556255201 /nfs/dbraw/zinc/25/52/01/556255201.db2.gz MQQKIVNOSQKSNN-UHFFFAOYSA-N 1 1 498.421 4.633 50 0 JJAAMO O[C@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000018153355 556294725 /nfs/dbraw/zinc/29/47/25/556294725.db2.gz QQIQISPOBDZSHO-GOSISDBHSA-N 1 1 487.309 4.918 50 0 JJAAMO Brc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000013122748 556338897 /nfs/dbraw/zinc/33/88/97/556338897.db2.gz YEXICRGWCBCMNY-FCHUYYIVSA-N 1 1 458.319 4.648 50 0 JJAAMO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028657938 556339056 /nfs/dbraw/zinc/33/90/56/556339056.db2.gz ORAYZEYMJAOUHN-DQEYMECFSA-N 1 1 481.518 4.684 50 0 JJAAMO O=C(NCC(F)(F)F)c1ccc(C[N@H+](Cc2cc(Cl)cc3c2OCOC3)C2CC2)cc1 ZINC000029698111 556355193 /nfs/dbraw/zinc/35/51/93/556355193.db2.gz VWZKYRAOBSLULO-UHFFFAOYSA-N 1 1 454.876 4.663 50 0 JJAAMO O=C(NCC(F)(F)F)c1ccc(C[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C2CC2)cc1 ZINC000029698111 556355197 /nfs/dbraw/zinc/35/51/97/556355197.db2.gz VWZKYRAOBSLULO-UHFFFAOYSA-N 1 1 454.876 4.663 50 0 JJAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCC[C@@H](c3nncn3C)C2)c(C)s1 ZINC000019739868 556363434 /nfs/dbraw/zinc/36/34/34/556363434.db2.gz IKQBMWUFEFZRLZ-GOSISDBHSA-N 1 1 450.587 4.865 50 0 JJAAMO Cc1ccc(-c2nnc(O[C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000013134501 556363597 /nfs/dbraw/zinc/36/35/97/556363597.db2.gz WGNHYLMYSYRCTB-QFIPXVFZSA-N 1 1 466.585 4.717 50 0 JJAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000019741418 556364605 /nfs/dbraw/zinc/36/46/05/556364605.db2.gz VETACPNKTWDBGX-NDEPHWFRSA-N 1 1 494.643 4.834 50 0 JJAAMO COC(=O)C[C@@H]([NH2+][C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cc(C)ccc1C ZINC000019799729 556376456 /nfs/dbraw/zinc/37/64/56/556376456.db2.gz PAWCIKBHIKJGMS-RSXGOPAZSA-N 1 1 450.554 4.875 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCCC2)cc1OC ZINC000032622204 556451784 /nfs/dbraw/zinc/45/17/84/556451784.db2.gz CFDCLRPJPYFQIV-OAQYLSRUSA-N 1 1 469.969 4.969 50 0 JJAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2CSc2nc3ccccc3s2)C1 ZINC000032819187 556503699 /nfs/dbraw/zinc/50/36/99/556503699.db2.gz AVOFDHYLLJMYDZ-LJQANCHMSA-N 1 1 455.649 4.675 50 0 JJAAMO Cc1nn(C)c2nc(C)c(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c12 ZINC000032892696 556524075 /nfs/dbraw/zinc/52/40/75/556524075.db2.gz WRMIQFLIMKMCBU-UHFFFAOYSA-N 1 1 481.644 4.760 50 0 JJAAMO COc1ccccc1[C@H](CNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C)[NH+]1CCCC1 ZINC000032908203 556532243 /nfs/dbraw/zinc/53/22/43/556532243.db2.gz XSLXZVMXODISSU-IBGZPJMESA-N 1 1 450.608 4.761 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(-c4nnc(-c5ccccc5C)o4)cc3)cc2)CC1 ZINC000032932411 556547521 /nfs/dbraw/zinc/54/75/21/556547521.db2.gz UWYVQWALCBPFSN-UHFFFAOYSA-N 1 1 495.627 4.780 50 0 JJAAMO Cc1ccc2nnc(-c3ccccc3)c(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c2c1 ZINC000032953410 556568494 /nfs/dbraw/zinc/56/84/94/556568494.db2.gz WKIGVIUPNZHRJK-UHFFFAOYSA-N 1 1 483.591 4.686 50 0 JJAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617168 562948168 /nfs/dbraw/zinc/94/81/68/562948168.db2.gz IFPDQDQOWSFWFJ-MHZLTWQESA-N 1 1 473.548 4.554 50 0 aggregator JJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000033024203 563110435 /nfs/dbraw/zinc/11/04/35/563110435.db2.gz DMDCVLRTPMANDI-QFIPXVFZSA-N 1 1 488.009 4.691 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)c2cccnc2)CC1 ZINC000054072962 563205907 /nfs/dbraw/zinc/20/59/07/563205907.db2.gz FYETUTFFCYTDPF-QFIPXVFZSA-N 1 1 467.591 4.970 50 0 JJAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1OC ZINC000055526916 569591966 /nfs/dbraw/zinc/59/19/66/569591966.db2.gz CJCILDAYTFBPCX-UHFFFAOYSA-N 1 1 465.981 4.932 50 0 JJAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)C4CCCCC4)cc3)sc2C1 ZINC000056928531 569592446 /nfs/dbraw/zinc/59/24/46/569592446.db2.gz OMIQHQHDVZJBIN-UHFFFAOYSA-N 1 1 490.695 4.507 50 0 JJAAMO CCC[N@H+]1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)C4CCCCC4)cc3)sc2C1 ZINC000056928531 569592447 /nfs/dbraw/zinc/59/24/47/569592447.db2.gz OMIQHQHDVZJBIN-UHFFFAOYSA-N 1 1 490.695 4.507 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1c2cc(C)cc1Cl ZINC000057129109 569594537 /nfs/dbraw/zinc/59/45/37/569594537.db2.gz BARLSZOEQRYQBT-UIMAMFOWSA-N 1 1 460.361 4.581 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1c2cc(C)cc1Cl ZINC000057129109 569594539 /nfs/dbraw/zinc/59/45/39/569594539.db2.gz BARLSZOEQRYQBT-UIMAMFOWSA-N 1 1 460.361 4.581 50 0 JJAAMO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057312452 569596292 /nfs/dbraw/zinc/59/62/92/569596292.db2.gz CVHMWLGGAKSCFX-AREMUKBSSA-N 1 1 463.622 4.880 50 0 JJAAMO O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057318501 569598585 /nfs/dbraw/zinc/59/85/85/569598585.db2.gz KPLWDYIVIWWSHC-RUZDIDTESA-N 1 1 460.647 4.846 50 0 JJAAMO CN(C(=O)C[NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1C(=O)NCc1ccco1 ZINC000057332243 569598984 /nfs/dbraw/zinc/59/89/84/569598984.db2.gz WVZDWVGHERATJP-UHFFFAOYSA-N 1 1 453.542 4.552 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2)Cc1ccccc1 ZINC000032983595 569606908 /nfs/dbraw/zinc/60/69/08/569606908.db2.gz KWEAOYOWCRIZCZ-PCLIKHOPSA-N 1 1 475.976 4.964 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)C1 ZINC000032983619 569606931 /nfs/dbraw/zinc/60/69/31/569606931.db2.gz CZGSQJHYYDYXRJ-NQRZERFFSA-N 1 1 453.970 4.564 50 0 JJAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)C1CCCCC1 ZINC000032983631 569606987 /nfs/dbraw/zinc/60/69/87/569606987.db2.gz JVLGTICXVVAKCU-HAHDFKILSA-N 1 1 453.970 4.706 50 0 JJAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)C1CCCCC1 ZINC000032983905 569607140 /nfs/dbraw/zinc/60/71/40/569607140.db2.gz HQKHEPVVFMOCIU-KQWNVCNZSA-N 1 1 453.970 4.706 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999344 569610071 /nfs/dbraw/zinc/61/00/71/569610071.db2.gz NWZOJQQDEHLRJJ-NZWZHHCMSA-N 1 1 491.591 4.626 50 0 biogenic JJAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000061997768 569610080 /nfs/dbraw/zinc/61/00/80/569610080.db2.gz YAONEWOINVLPEC-OMICENBGSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO O=c1c(C[N@@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)coc2ccc(Cl)cc12 ZINC000064015376 569616165 /nfs/dbraw/zinc/61/61/65/569616165.db2.gz PCSHAWIQCASCNE-UHFFFAOYSA-N 1 1 464.871 4.700 50 0 JJAAMO O=c1c(C[N@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)coc2ccc(Cl)cc12 ZINC000064015376 569616166 /nfs/dbraw/zinc/61/61/66/569616166.db2.gz PCSHAWIQCASCNE-UHFFFAOYSA-N 1 1 464.871 4.700 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(O)cc4)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000064157706 569616275 /nfs/dbraw/zinc/61/62/75/569616275.db2.gz JWJKVRGULCSMLP-UHFFFAOYSA-N 1 1 495.501 4.529 50 0 JJAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c(C)c1C ZINC000064802146 569631802 /nfs/dbraw/zinc/63/18/02/569631802.db2.gz HRMFQHLUSSETML-UHFFFAOYSA-N 1 1 481.622 4.945 50 0 JJAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)n2)c1 ZINC000034678194 569642265 /nfs/dbraw/zinc/64/22/65/569642265.db2.gz AIFCWDPPEBXLID-UHFFFAOYSA-N 1 1 464.585 4.990 50 0 JJAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)nc1 ZINC000034681707 569643473 /nfs/dbraw/zinc/64/34/73/569643473.db2.gz MWSYYJGOPLSMIC-UHFFFAOYSA-N 1 1 456.999 4.526 50 0 JJAAMO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683393 569644343 /nfs/dbraw/zinc/64/43/43/569644343.db2.gz DSRJHQPDGFYDSP-UHFFFAOYSA-N 1 1 454.611 4.928 50 0 JJAAMO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683642 569644458 /nfs/dbraw/zinc/64/44/58/569644458.db2.gz OIEMSHXWDYBSGZ-UHFFFAOYSA-N 1 1 458.574 4.958 50 0 JJAAMO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683843 569644680 /nfs/dbraw/zinc/64/46/80/569644680.db2.gz FDDVNCPNWBEIIU-UHFFFAOYSA-N 1 1 470.616 4.645 50 0 JJAAMO Cc1ccc(N(C2CC[NH+](Cc3cccnc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F ZINC000034684008 569644766 /nfs/dbraw/zinc/64/47/66/569644766.db2.gz JTSVAUPZQUTNOE-UHFFFAOYSA-N 1 1 457.546 4.528 50 0 JJAAMO C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC[N@H+]1Cc1cccc(F)c1 ZINC000034708014 569650193 /nfs/dbraw/zinc/65/01/93/569650193.db2.gz GCZZGDVTXYETRQ-KRWDZBQOSA-N 1 1 458.566 4.856 50 0 JJAAMO CCC(=O)N1CCc2cc(-c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)ccc21 ZINC000065026853 569651693 /nfs/dbraw/zinc/65/16/93/569651693.db2.gz BDAHVUIWGNXKTH-UHFFFAOYSA-N 1 1 453.586 4.611 50 0 JJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000065054917 569653745 /nfs/dbraw/zinc/65/37/45/569653745.db2.gz SMTIIAHBZFXJRX-UHFFFAOYSA-N 1 1 466.557 4.516 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787736 569659894 /nfs/dbraw/zinc/65/98/94/569659894.db2.gz WEHXZSUTNGVQMX-CUNXSJBXSA-N 1 1 481.706 4.891 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034787736 569659895 /nfs/dbraw/zinc/65/98/95/569659895.db2.gz WEHXZSUTNGVQMX-CUNXSJBXSA-N 1 1 481.706 4.891 50 0 JJAAMO Fc1cccc(-c2noc(-c3ccc(NCCC[NH+]4CCN(Cc5ccccc5)CC4)nc3)n2)c1 ZINC000065097934 569661699 /nfs/dbraw/zinc/66/16/99/569661699.db2.gz MVXIICDLQGDDAW-UHFFFAOYSA-N 1 1 472.568 4.558 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829614 569663129 /nfs/dbraw/zinc/66/31/29/569663129.db2.gz AKMVLMWILAJSSI-KMRXNPHXSA-N 1 1 487.669 4.631 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829614 569663131 /nfs/dbraw/zinc/66/31/31/569663131.db2.gz AKMVLMWILAJSSI-KMRXNPHXSA-N 1 1 487.669 4.631 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034829795 569663369 /nfs/dbraw/zinc/66/33/69/569663369.db2.gz XWQYRDWMFSZCSB-HRFSGMKKSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034829795 569663370 /nfs/dbraw/zinc/66/33/70/569663370.db2.gz XWQYRDWMFSZCSB-HRFSGMKKSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829939 569663694 /nfs/dbraw/zinc/66/36/94/569663694.db2.gz BFLAZJCCTCDWQU-ZBLYBZFDSA-N 1 1 488.657 4.769 50 0 JJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829939 569663695 /nfs/dbraw/zinc/66/36/95/569663695.db2.gz BFLAZJCCTCDWQU-ZBLYBZFDSA-N 1 1 488.657 4.769 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034830395 569663864 /nfs/dbraw/zinc/66/38/64/569663864.db2.gz ODOBQRCAJJDHSK-CPJSRVTESA-N 1 1 493.698 4.829 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)sc2c1CC[C@@H](C)C2 ZINC000035415659 569692133 /nfs/dbraw/zinc/69/21/33/569692133.db2.gz IAICTBHDVHYJLR-SJORKVTESA-N 1 1 455.624 4.947 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)sc2c1CC[C@@H](C)C2 ZINC000035415659 569692135 /nfs/dbraw/zinc/69/21/35/569692135.db2.gz IAICTBHDVHYJLR-SJORKVTESA-N 1 1 455.624 4.947 50 0 JJAAMO CC(C)[N@@H+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000069438062 569693035 /nfs/dbraw/zinc/69/30/35/569693035.db2.gz MPLDPVOAYCPODW-QFIPXVFZSA-N 1 1 462.421 4.755 50 0 JJAAMO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000072272277 569701315 /nfs/dbraw/zinc/70/13/15/569701315.db2.gz XSRRFDOTQKYKLA-OAHLLOKOSA-N 1 1 494.865 4.597 50 0 JJAAMO O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1=Cc2ccc(OC(F)F)cc2CC1 ZINC000084398254 569709113 /nfs/dbraw/zinc/70/91/13/569709113.db2.gz CNXRVSFTGRAKSU-UHFFFAOYSA-N 1 1 482.980 4.813 50 0 JJAAMO CCC[NH+]1CCN(C(=O)c2cc3occc3c(Nc3ccc(Br)c(C)c3)n2)CC1 ZINC000085651231 569713038 /nfs/dbraw/zinc/71/30/38/569713038.db2.gz XBEJRKGDHGOTLC-UHFFFAOYSA-N 1 1 457.372 4.810 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000085877448 569716124 /nfs/dbraw/zinc/71/61/24/569716124.db2.gz QYOCZGINUVALFF-DFCKQENNSA-N 1 1 465.682 4.966 50 0 biogenic JJAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871986 569719134 /nfs/dbraw/zinc/71/91/34/569719134.db2.gz FGZPFPWWKCLIKZ-ZJSXRUAMSA-N 1 1 475.530 4.766 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCn2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000095544315 569726800 /nfs/dbraw/zinc/72/68/00/569726800.db2.gz PZWLDZXVZDYLKH-UHFFFAOYSA-N 1 1 463.384 4.627 50 0 JJAAMO CCC[C@H](O)C[N@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927985 569730715 /nfs/dbraw/zinc/73/07/15/569730715.db2.gz OBPHALSPHAJCBU-VWLOTQADSA-N 1 1 464.629 4.861 50 0 JJAAMO CCC[C@H](O)C[N@@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927985 569730717 /nfs/dbraw/zinc/73/07/17/569730717.db2.gz OBPHALSPHAJCBU-VWLOTQADSA-N 1 1 464.629 4.861 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211351 569738246 /nfs/dbraw/zinc/73/82/46/569738246.db2.gz GMUKHSZZUWCISN-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211351 569738247 /nfs/dbraw/zinc/73/82/47/569738247.db2.gz GMUKHSZZUWCISN-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(Cc2ccccc2)c1C[NH+](C)C ZINC000096576617 569741546 /nfs/dbraw/zinc/74/15/46/569741546.db2.gz ZUQMGWHUJOYIID-UHFFFAOYSA-N 1 1 473.367 4.616 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991399 569744558 /nfs/dbraw/zinc/74/45/58/569744558.db2.gz QCXBZDUJSACCBE-NRFANRHFSA-N 1 1 462.377 4.639 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991399 569744559 /nfs/dbraw/zinc/74/45/59/569744559.db2.gz QCXBZDUJSACCBE-NRFANRHFSA-N 1 1 462.377 4.639 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043004 569754438 /nfs/dbraw/zinc/75/44/38/569754438.db2.gz FRHKGBAMJKIZDK-XHCCPWGMSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043004 569754439 /nfs/dbraw/zinc/75/44/39/569754439.db2.gz FRHKGBAMJKIZDK-XHCCPWGMSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043104 569754593 /nfs/dbraw/zinc/75/45/93/569754593.db2.gz ZJXOVCGGJLJHML-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccccc2C)c1 ZINC000036043104 569754594 /nfs/dbraw/zinc/75/45/94/569754594.db2.gz ZJXOVCGGJLJHML-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO CC[C@@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048337 569755797 /nfs/dbraw/zinc/75/57/97/569755797.db2.gz UULIMZKPEUSURA-VAVYLYDRSA-N 1 1 458.602 4.941 50 0 JJAAMO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036250484 569758255 /nfs/dbraw/zinc/75/82/55/569758255.db2.gz BTXNIQLWWAZWNJ-NDEPHWFRSA-N 1 1 487.688 4.886 50 0 JJAAMO CCCCc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036250302 569758361 /nfs/dbraw/zinc/75/83/61/569758361.db2.gz KACMVMKXMDONNW-GJZUVCINSA-N 1 1 453.671 4.747 50 0 JJAAMO COc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N[C@H](C)CCc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036310572 569759339 /nfs/dbraw/zinc/75/93/39/569759339.db2.gz JLPRDZFJQOVOQQ-AMGIVPHBSA-N 1 1 492.664 4.541 50 0 JJAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccco2)C(=O)c2cccs2)CC1 ZINC000036312100 569759870 /nfs/dbraw/zinc/75/98/70/569759870.db2.gz UFOQCHLLRSTPMT-UHFFFAOYSA-N 1 1 480.565 4.730 50 0 JJAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccco2)C(=O)c2ccccc2)CC1 ZINC000036312102 569759884 /nfs/dbraw/zinc/75/98/84/569759884.db2.gz YCLKPPJXVIJHFI-UHFFFAOYSA-N 1 1 474.536 4.668 50 0 JJAAMO CC(C)CC(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000036312108 569759969 /nfs/dbraw/zinc/75/99/69/569759969.db2.gz ZLXVRRVUCROCGZ-UHFFFAOYSA-N 1 1 464.585 4.807 50 0 JJAAMO CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C1CCCC1 ZINC000036312307 569760152 /nfs/dbraw/zinc/76/01/52/569760152.db2.gz JVWXMLXHXVPIIN-UHFFFAOYSA-N 1 1 456.606 4.797 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313831 569761105 /nfs/dbraw/zinc/76/11/05/569761105.db2.gz JZLDXXRAIQEOEP-HSZRJFAPSA-N 1 1 485.600 4.645 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316174 569762376 /nfs/dbraw/zinc/76/23/76/569762376.db2.gz KCHYDFNNDSZJMB-OAQYLSRUSA-N 1 1 471.548 4.767 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316497 569763243 /nfs/dbraw/zinc/76/32/43/569763243.db2.gz DGTRHNRYMOAABW-JOCHJYFZSA-N 1 1 467.585 4.976 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316496 569763305 /nfs/dbraw/zinc/76/33/05/569763305.db2.gz DGTRHNRYMOAABW-QFIPXVFZSA-N 1 1 467.585 4.976 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)cc1C ZINC000036341476 569764553 /nfs/dbraw/zinc/76/45/53/569764553.db2.gz UIAWOHJHYDZTCU-GDLZYMKVSA-N 1 1 484.619 4.938 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342131 569765455 /nfs/dbraw/zinc/76/54/55/569765455.db2.gz NQHZDKXEAYEELQ-QHCPKHFHSA-N 1 1 453.558 4.722 50 0 JJAAMO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343436 569766402 /nfs/dbraw/zinc/76/64/02/569766402.db2.gz CAPZRAODMBWDIP-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343436 569766403 /nfs/dbraw/zinc/76/64/03/569766403.db2.gz CAPZRAODMBWDIP-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)c1 ZINC000036344578 569767129 /nfs/dbraw/zinc/76/71/29/569767129.db2.gz WBIPYKMISLOEKP-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2C)C1 ZINC000036344990 569767558 /nfs/dbraw/zinc/76/75/58/569767558.db2.gz CEQOOMQQHNFNRR-NVQXNPDNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2C)C1 ZINC000036344990 569767559 /nfs/dbraw/zinc/76/75/59/569767559.db2.gz CEQOOMQQHNFNRR-NVQXNPDNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2C)C1 ZINC000036345014 569767671 /nfs/dbraw/zinc/76/76/71/569767671.db2.gz OMNLSMZGSICYPD-NVQXNPDNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2C)C1 ZINC000036345014 569767674 /nfs/dbraw/zinc/76/76/74/569767674.db2.gz OMNLSMZGSICYPD-NVQXNPDNSA-N 1 1 461.606 4.565 50 0 JJAAMO COc1ccccc1[C@H]1CC(c2ccc(C)cc2C)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036345334 569767875 /nfs/dbraw/zinc/76/78/75/569767875.db2.gz QKRZVDZSBBVMMD-GDLZYMKVSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345977 569768667 /nfs/dbraw/zinc/76/86/67/569768667.db2.gz SZMJLNFMFJKFKW-JOCHJYFZSA-N 1 1 455.574 4.968 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346252 569769470 /nfs/dbraw/zinc/76/94/70/569769470.db2.gz PJBZIHRQWVVITP-XMMPIXPASA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036346252 569769471 /nfs/dbraw/zinc/76/94/71/569769471.db2.gz PJBZIHRQWVVITP-XMMPIXPASA-N 1 1 485.600 4.594 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036346401 569769634 /nfs/dbraw/zinc/76/96/34/569769634.db2.gz MDZDZPDGZRVGTP-AZGAKELHSA-N 1 1 497.611 4.879 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036346401 569769635 /nfs/dbraw/zinc/76/96/35/569769635.db2.gz MDZDZPDGZRVGTP-AZGAKELHSA-N 1 1 497.611 4.879 50 0 JJAAMO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000037198764 569781505 /nfs/dbraw/zinc/78/15/05/569781505.db2.gz OOWAZRKIWXXXBM-SFTDATJTSA-N 1 1 499.677 4.501 50 0 JJAAMO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037195927 569781562 /nfs/dbraw/zinc/78/15/62/569781562.db2.gz QJLGNTINFPMPTL-OALUTQOASA-N 1 1 455.649 4.745 50 0 JJAAMO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000037195927 569781563 /nfs/dbraw/zinc/78/15/63/569781563.db2.gz QJLGNTINFPMPTL-OALUTQOASA-N 1 1 455.649 4.745 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000037243217 569781862 /nfs/dbraw/zinc/78/18/62/569781862.db2.gz ORDVUOQIJHVOHF-SBUWMIOTSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000037243217 569781863 /nfs/dbraw/zinc/78/18/63/569781863.db2.gz ORDVUOQIJHVOHF-SBUWMIOTSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO COc1cc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)cc(OC)c1 ZINC000037570541 569795724 /nfs/dbraw/zinc/79/57/24/569795724.db2.gz BPVMVJJLNPKTGO-UHFFFAOYSA-N 1 1 480.630 4.872 50 0 JJAAMO COc1cc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000037572228 569795845 /nfs/dbraw/zinc/79/58/45/569795845.db2.gz AYZWFBYIHABBRE-UHFFFAOYSA-N 1 1 484.593 4.703 50 0 JJAAMO COc1cc(OC)c(NC(=O)CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000038729207 569806257 /nfs/dbraw/zinc/80/62/57/569806257.db2.gz BFCQERCMLWATRB-UHFFFAOYSA-N 1 1 485.934 4.522 50 0 JJAAMO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCN(c4ccccc4F)CC3)cc2O)cc1 ZINC000039354032 569809337 /nfs/dbraw/zinc/80/93/37/569809337.db2.gz RTOFOIVWSURNSS-UHFFFAOYSA-N 1 1 488.563 4.798 50 0 JJAAMO Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000039445285 569809945 /nfs/dbraw/zinc/80/99/45/569809945.db2.gz LSNPKBWELAYNGL-HOYKHHGWSA-N 1 1 479.671 4.669 50 0 JJAAMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000040149609 569819129 /nfs/dbraw/zinc/81/91/29/569819129.db2.gz RDPXCORHLORKPJ-MRXNPFEDSA-N 1 1 473.415 4.645 50 0 JJAAMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000040157932 569821790 /nfs/dbraw/zinc/82/17/90/569821790.db2.gz CDJLLRYYVXHIEH-AREMUKBSSA-N 1 1 468.532 4.743 50 0 JJAAMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000040157932 569821792 /nfs/dbraw/zinc/82/17/92/569821792.db2.gz CDJLLRYYVXHIEH-AREMUKBSSA-N 1 1 468.532 4.743 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)c(Cl)c1 ZINC000102845991 569824308 /nfs/dbraw/zinc/82/43/08/569824308.db2.gz OXQQAOKWXPEBRH-UHFFFAOYSA-N 1 1 464.997 4.526 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)c(Cl)c1 ZINC000102845991 569824309 /nfs/dbraw/zinc/82/43/09/569824309.db2.gz OXQQAOKWXPEBRH-UHFFFAOYSA-N 1 1 464.997 4.526 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCC[C@H](C)C2)[C@H]1c1cccs1 ZINC000103727173 569837540 /nfs/dbraw/zinc/83/75/40/569837540.db2.gz LIGYPBGXMHTTCT-KSNOWIBYSA-N 1 1 467.679 4.923 50 0 JJAAMO COc1cc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc(OC)c1OC ZINC000045974151 569841665 /nfs/dbraw/zinc/84/16/65/569841665.db2.gz BJKARFVFDQCPFR-UHFFFAOYSA-N 1 1 479.964 4.576 50 0 JJAAMO COc1cc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(Cl)ccc3n2)cc(OC)c1OC ZINC000045974151 569841667 /nfs/dbraw/zinc/84/16/67/569841667.db2.gz BJKARFVFDQCPFR-UHFFFAOYSA-N 1 1 479.964 4.576 50 0 JJAAMO Cc1ccc(-c2nn(C[NH2+]C3(c4ccc(Br)cc4)CCOCC3)c(=S)[nH]2)cc1 ZINC000048290287 569845510 /nfs/dbraw/zinc/84/55/10/569845510.db2.gz WAWKZKKTNJLUHR-UHFFFAOYSA-N 1 1 459.413 4.558 50 0 JJAAMO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)C(C)C)cc1)c1cccc(Br)c1 ZINC000048313654 569845831 /nfs/dbraw/zinc/84/58/31/569845831.db2.gz RAJFSKVPSOHMHJ-UHFFFAOYSA-N 1 1 481.456 4.620 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000104982472 569847723 /nfs/dbraw/zinc/84/77/23/569847723.db2.gz JZGMICWSAZNANE-RBBKRZOGSA-N 1 1 461.002 4.520 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000104982472 569847725 /nfs/dbraw/zinc/84/77/25/569847725.db2.gz JZGMICWSAZNANE-RBBKRZOGSA-N 1 1 461.002 4.520 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983716 569848191 /nfs/dbraw/zinc/84/81/91/569848191.db2.gz UPZRZSCKZXRLSC-XZOQPEGZSA-N 1 1 482.518 4.873 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983311 569848235 /nfs/dbraw/zinc/84/82/35/569848235.db2.gz JFBQOXJOFFFKRB-LOSJGSFVSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983311 569848236 /nfs/dbraw/zinc/84/82/36/569848236.db2.gz JFBQOXJOFFFKRB-LOSJGSFVSA-N 1 1 466.528 4.708 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984046 569848535 /nfs/dbraw/zinc/84/85/35/569848535.db2.gz SUJDVRIPYIHORA-ILBGXUMGSA-N 1 1 450.966 4.775 50 0 JJAAMO 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Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(F)cc2)[C@@H](C)C1 ZINC000105060159 569852625 /nfs/dbraw/zinc/85/26/25/569852625.db2.gz XWQYRDWMFSZCSB-DCFHFQCYSA-N 1 1 491.632 4.516 50 0 JJAAMO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106184162 569853826 /nfs/dbraw/zinc/85/38/26/569853826.db2.gz JGZJPFRDENZGEL-KAYWLYCHSA-N 1 1 455.602 4.615 50 0 JJAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677746 569868894 /nfs/dbraw/zinc/86/88/94/569868894.db2.gz NLHFZAPXSSZYHM-VWNXMTODSA-N 1 1 475.530 4.766 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000169678424 569869123 /nfs/dbraw/zinc/86/91/23/569869123.db2.gz LVRUYPCHKGVIFI-RSXGOPAZSA-N 1 1 493.648 4.994 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000169678424 569869124 /nfs/dbraw/zinc/86/91/24/569869124.db2.gz LVRUYPCHKGVIFI-RSXGOPAZSA-N 1 1 493.648 4.994 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](c3ccccc3)[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000169679495 569869813 /nfs/dbraw/zinc/86/98/13/569869813.db2.gz UEPLITUZENKSFC-FBLLAGFSSA-N 1 1 470.560 4.720 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@H+]5CCCC[C@@H]35)CO4)c2=O)cc1 ZINC000229705182 570041119 /nfs/dbraw/zinc/04/11/19/570041119.db2.gz XPTWAYCLCYQFRO-NLFFAJNJSA-N 1 1 460.574 4.885 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077438 570044494 /nfs/dbraw/zinc/04/44/94/570044494.db2.gz HDBWJRWHMUNQDF-NGXZDTIWSA-N 1 1 465.663 4.962 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000239309004 570050518 /nfs/dbraw/zinc/05/05/18/570050518.db2.gz HDBWJRWHMUNQDF-WVQWTBLQSA-N 1 1 465.663 4.962 50 0 JJAAMO COc1ccc(CC[C@]2(C)NC(=O)N(C[N@@H+]3CCCCC[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000245237280 570057246 /nfs/dbraw/zinc/05/72/46/570057246.db2.gz HTIWMWPYPKXARI-IGKIAQTJSA-N 1 1 465.594 4.522 50 0 JJAAMO COc1ccc(CC[C@]2(C)NC(=O)N(C[N@H+]3CCCCC[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000245237280 570057247 /nfs/dbraw/zinc/05/72/47/570057247.db2.gz HTIWMWPYPKXARI-IGKIAQTJSA-N 1 1 465.594 4.522 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280358 570061793 /nfs/dbraw/zinc/06/17/93/570061793.db2.gz OASXBLJLLFEGDY-ILBGXUMGSA-N 1 1 479.621 4.566 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245280763 570061853 /nfs/dbraw/zinc/06/18/53/570061853.db2.gz SJVYFFQUYBHHCH-AZGAKELHSA-N 1 1 464.993 4.947 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281449 570062314 /nfs/dbraw/zinc/06/23/14/570062314.db2.gz ZOVBCGWOCXYJEF-UKILVPOCSA-N 1 1 497.611 4.785 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000245294803 570062621 /nfs/dbraw/zinc/06/26/21/570062621.db2.gz AKOLLWXEYMJPOJ-RSXGOPAZSA-N 1 1 469.601 4.557 50 0 JJAAMO CC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245330430 570066716 /nfs/dbraw/zinc/06/67/16/570066716.db2.gz YLXDLMZVCJHGDX-LADGPHEKSA-N 1 1 472.695 4.989 50 0 JJAAMO O=C(C[N@@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247727233 570068985 /nfs/dbraw/zinc/06/89/85/570068985.db2.gz DJZUXWJSBLCUER-FTJBHMTQSA-N 1 1 476.642 4.699 50 0 JJAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000247740188 570069111 /nfs/dbraw/zinc/06/91/11/570069111.db2.gz NJYHDSZVSJSJAV-JWQCQUIFSA-N 1 1 461.606 4.526 50 0 JJAAMO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NC[C@H]1CCCO1 ZINC000247744116 570069137 /nfs/dbraw/zinc/06/91/37/570069137.db2.gz QAGZJFUVNPAQSD-UHSQPCAPSA-N 1 1 456.586 4.508 50 0 JJAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4OC)C3)nc3ccccc32)cc1 ZINC000247905857 570071025 /nfs/dbraw/zinc/07/10/25/570071025.db2.gz SFWFPVUFBVMJMG-JOCHJYFZSA-N 1 1 484.600 4.953 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4OC)C3)nc3ccccc32)cc1 ZINC000247905857 570071027 /nfs/dbraw/zinc/07/10/27/570071027.db2.gz SFWFPVUFBVMJMG-JOCHJYFZSA-N 1 1 484.600 4.953 50 0 JJAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1C ZINC000247983432 570072025 /nfs/dbraw/zinc/07/20/25/570072025.db2.gz HVGWNACFHCAUSV-XMMPIXPASA-N 1 1 473.665 4.795 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000248005892 570072637 /nfs/dbraw/zinc/07/26/37/570072637.db2.gz PREUNHUAUXTNGI-NRFANRHFSA-N 1 1 480.056 4.831 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000248074315 570073593 /nfs/dbraw/zinc/07/35/93/570073593.db2.gz IACWTMTVMHYQCM-QFQXNSOFSA-N 1 1 481.706 4.890 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000248117340 570074333 /nfs/dbraw/zinc/07/43/33/570074333.db2.gz VSGIDOHNUYLSLK-AJTFRIOCSA-N 1 1 487.669 4.767 50 0 JJAAMO CC(C)n1c(C[NH+]2CCC(C(=O)NCc3ccc(Br)cc3)CC2)nc2ccccc21 ZINC000248157080 570075642 /nfs/dbraw/zinc/07/56/42/570075642.db2.gz IZSZNZVHULHMMO-UHFFFAOYSA-N 1 1 469.427 4.908 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4C)CC3)nc3ccccc32)cc1 ZINC000248168500 570075965 /nfs/dbraw/zinc/07/59/65/570075965.db2.gz UCNRQPKAMVKPHD-UHFFFAOYSA-N 1 1 482.628 4.930 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000248295752 570077378 /nfs/dbraw/zinc/07/73/78/570077378.db2.gz XCJBUTYEPXPYJJ-CGXNFDGLSA-N 1 1 452.913 4.610 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248295752 570077380 /nfs/dbraw/zinc/07/73/80/570077380.db2.gz XCJBUTYEPXPYJJ-CGXNFDGLSA-N 1 1 452.913 4.610 50 0 JJAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249681574 570078531 /nfs/dbraw/zinc/07/85/31/570078531.db2.gz BQMINEWIOKGJPM-DEOSSOPVSA-N 1 1 473.665 4.570 50 0 JJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000249693938 570078789 /nfs/dbraw/zinc/07/87/89/570078789.db2.gz OGHWQLFFWVMLOR-HXUWFJFHSA-N 1 1 499.581 4.636 50 0 JJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000249703360 570078958 /nfs/dbraw/zinc/07/89/58/570078958.db2.gz ZMGQSLLYFDMQMH-FQEVSTJZSA-N 1 1 499.581 4.636 50 0 JJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000249703361 570078969 /nfs/dbraw/zinc/07/89/69/570078969.db2.gz ZMGQSLLYFDMQMH-HXUWFJFHSA-N 1 1 499.581 4.636 50 0 JJAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4C(C)C)CC3)CC2)nc2ccccc21 ZINC000253607246 570104386 /nfs/dbraw/zinc/10/43/86/570104386.db2.gz GYZSWZHCNQMFHB-UHFFFAOYSA-N 1 1 473.665 4.740 50 0 JJAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4ccccc4C(C)C)CC3)C2)nc2ccccc21 ZINC000253607487 570104426 /nfs/dbraw/zinc/10/44/26/570104426.db2.gz VCEOWCRVODJWQQ-QHCPKHFHSA-N 1 1 473.665 4.740 50 0 JJAAMO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000299766525 570175332 /nfs/dbraw/zinc/17/53/32/570175332.db2.gz JMOBASJMPCGTLB-IEWVHIKDSA-N 1 1 497.683 4.882 50 0 JJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(C)cc2C)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000299793337 570177175 /nfs/dbraw/zinc/17/71/75/570177175.db2.gz IOKBBGMSJHALND-AZGAKELHSA-N 1 1 480.649 4.523 50 0 JJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000001072942 194016744 /nfs/dbraw/zinc/01/67/44/194016744.db2.gz RMEBLBDZRGUWLZ-YLJYHZDGSA-N 1 1 458.484 4.836 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1C ZINC000003414739 194316814 /nfs/dbraw/zinc/31/68/14/194316814.db2.gz IPJBFCNOTUYWCC-UHFFFAOYSA-N 1 1 493.677 4.591 50 0 JJAAMO O=C(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCN(c2ccccc2F)CC1)OCCO3 ZINC000009969424 195042739 /nfs/dbraw/zinc/04/27/39/195042739.db2.gz YKTWSKHMNSIXDR-UHFFFAOYSA-N 1 1 469.516 4.703 50 0 JJAAMO 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485.609 4.739 50 0 JJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCC[NH+]2CCOCC2)cc1 ZINC000020661850 195196067 /nfs/dbraw/zinc/19/60/67/195196067.db2.gz QSLFJQVVLGJPGN-UHFFFAOYSA-N 1 1 457.578 4.620 50 0 JJAAMO Cc1ccc(-n2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3c2=O)cc1C ZINC000020765598 195221005 /nfs/dbraw/zinc/22/10/05/195221005.db2.gz LIOSJRHSJZINSA-UHFFFAOYSA-N 1 1 451.570 4.566 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000020902856 195242297 /nfs/dbraw/zinc/24/22/97/195242297.db2.gz ZKCJKRTWSPWVTD-GDLZYMKVSA-N 1 1 478.681 4.959 50 0 JJAAMO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020978831 195258533 /nfs/dbraw/zinc/25/85/33/195258533.db2.gz LZISNHCCOQXLOV-OAQYLSRUSA-N 1 1 479.646 4.671 50 0 JJAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)N[C@H](C)c3cccc4ccccc43)c(=O)[nH]2)cc1OC ZINC000020992993 195262645 /nfs/dbraw/zinc/26/26/45/195262645.db2.gz ITFXZADGEOIALO-HXUWFJFHSA-N 1 1 499.611 4.711 50 0 JJAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000020994621 195263378 /nfs/dbraw/zinc/26/33/78/195263378.db2.gz CDDJAIOACBTRMX-MHZLTWQESA-N 1 1 452.558 4.719 50 0 JJAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000021151839 195283222 /nfs/dbraw/zinc/28/32/22/195283222.db2.gz RBYATJRTDFJVGU-JOCHJYFZSA-N 1 1 458.389 4.627 50 0 JJAAMO Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000021151839 195283224 /nfs/dbraw/zinc/28/32/24/195283224.db2.gz RBYATJRTDFJVGU-JOCHJYFZSA-N 1 1 458.389 4.627 50 0 JJAAMO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000021160361 195287150 /nfs/dbraw/zinc/28/71/50/195287150.db2.gz SZNZWSLOCOHPAQ-DEOSSOPVSA-N 1 1 487.692 4.990 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(C(C)C)C4CCCCC4)CC3)n2)cc1OC ZINC000021531464 195309634 /nfs/dbraw/zinc/30/96/34/195309634.db2.gz STRSZQBNOXNNBN-UHFFFAOYSA-N 1 1 470.614 4.536 50 0 JJAAMO Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000058065294 195363979 /nfs/dbraw/zinc/36/39/79/195363979.db2.gz VOEQWGXEEQJZSA-GOSISDBHSA-N 1 1 464.616 4.889 50 0 JJAAMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000058203068 195373494 /nfs/dbraw/zinc/37/34/94/195373494.db2.gz WKOAAGPKSFBHKS-HNNXBMFYSA-N 1 1 462.388 4.535 50 0 JJAAMO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058248667 195375092 /nfs/dbraw/zinc/37/50/92/195375092.db2.gz JGZJPFRDENZGEL-SVBPBHIXSA-N 1 1 455.602 4.615 50 0 JJAAMO CC(C)CC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036149203 519652762 /nfs/dbraw/zinc/65/27/62/519652762.db2.gz FKTVRACDRXTYPP-SANMLTNESA-N 1 1 493.648 4.604 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206189 519755920 /nfs/dbraw/zinc/75/59/20/519755920.db2.gz BHHZCLGCVWRDIT-SFHVURJKSA-N 1 1 464.031 4.549 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206189 519755922 /nfs/dbraw/zinc/75/59/22/519755922.db2.gz BHHZCLGCVWRDIT-SFHVURJKSA-N 1 1 464.031 4.549 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306827 519773886 /nfs/dbraw/zinc/77/38/86/519773886.db2.gz GGBVMSNYIDJUPB-PKTZIBPZSA-N 1 1 497.611 4.785 50 0 JJAAMO CCC[N@H+]1CCc2nc(SCc3nc(-c4ccc(OCC)c(OC)c4)oc3C)[nH]c(=O)c2C1 ZINC000033287194 519863729 /nfs/dbraw/zinc/86/37/29/519863729.db2.gz WXEMLZUBVRSIDL-UHFFFAOYSA-N 1 1 470.595 4.613 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146089 519880947 /nfs/dbraw/zinc/88/09/47/519880947.db2.gz OBJCWMGQDYCHLO-PMACEKPBSA-N 1 1 479.404 4.693 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036307867 520091788 /nfs/dbraw/zinc/09/17/88/520091788.db2.gz KVESBRLLZSDCGB-QFIPXVFZSA-N 1 1 485.600 4.773 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036307867 520091796 /nfs/dbraw/zinc/09/17/96/520091796.db2.gz KVESBRLLZSDCGB-QFIPXVFZSA-N 1 1 485.600 4.773 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036303777 520153752 /nfs/dbraw/zinc/15/37/52/520153752.db2.gz IGEWYQVBHCJCSX-JOCHJYFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036303777 520153757 /nfs/dbraw/zinc/15/37/57/520153757.db2.gz IGEWYQVBHCJCSX-JOCHJYFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CCC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309673 520797362 /nfs/dbraw/zinc/79/73/62/520797362.db2.gz JQUYVJWCCSVASF-QPPBQGQZSA-N 1 1 476.658 4.901 50 0 JJAAMO CCC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036303274 520797470 /nfs/dbraw/zinc/79/74/70/520797470.db2.gz WHYIFOYWYHPFQE-JOCHJYFZSA-N 1 1 455.574 4.976 50 0 JJAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036303274 520797476 /nfs/dbraw/zinc/79/74/76/520797476.db2.gz WHYIFOYWYHPFQE-JOCHJYFZSA-N 1 1 455.574 4.976 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@H](O)COCC(C)C ZINC000036208301 520937009 /nfs/dbraw/zinc/93/70/09/520937009.db2.gz KREPIILQLXKVJM-QFIPXVFZSA-N 1 1 455.599 4.817 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](Cc1ccco1)C[C@H](O)COCC(C)C ZINC000036208301 520937017 /nfs/dbraw/zinc/93/70/17/520937017.db2.gz KREPIILQLXKVJM-QFIPXVFZSA-N 1 1 455.599 4.817 50 0 JJAAMO CCOc1ccc(C[N@H+](CCOC)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1 ZINC000033268844 520964525 /nfs/dbraw/zinc/96/45/25/520964525.db2.gz CPQXCSDBNIRIKC-UHFFFAOYSA-N 1 1 467.566 4.609 50 0 JJAAMO CCOc1ccc(C[N@@H+](CCOC)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1 ZINC000033268844 520964533 /nfs/dbraw/zinc/96/45/33/520964533.db2.gz CPQXCSDBNIRIKC-UHFFFAOYSA-N 1 1 467.566 4.609 50 0 JJAAMO CCC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309671 521182986 /nfs/dbraw/zinc/18/29/86/521182986.db2.gz JQUYVJWCCSVASF-URXFXBBRSA-N 1 1 476.658 4.901 50 0 JJAAMO CCCCc1nc2sc3c(nc(SC)nc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020391820 521313855 /nfs/dbraw/zinc/31/38/55/521313855.db2.gz OUPWHOZYKZXECQ-UHFFFAOYSA-N 1 1 471.696 4.927 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000065008932 521641047 /nfs/dbraw/zinc/64/10/47/521641047.db2.gz WWILPDVXOZIDIT-GOSISDBHSA-N 1 1 479.071 4.540 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036303895 521679489 /nfs/dbraw/zinc/67/94/89/521679489.db2.gz WEDLEBXYTBNDPK-QHCPKHFHSA-N 1 1 467.610 4.980 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036302209 521680192 /nfs/dbraw/zinc/68/01/92/521680192.db2.gz FDTKXKMFHYLWLQ-JOCHJYFZSA-N 1 1 453.583 4.591 50 0 JJAAMO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(NC(=O)C2CCCC2)cc1OC ZINC000012416790 522503431 /nfs/dbraw/zinc/50/34/31/522503431.db2.gz RQOFIKDBWUAXBS-QFIPXVFZSA-N 1 1 468.594 4.621 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036302913 522640877 /nfs/dbraw/zinc/64/08/77/522640877.db2.gz CKKYRTJLFGIZST-HSZRJFAPSA-N 1 1 481.637 4.851 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036302913 522640896 /nfs/dbraw/zinc/64/08/96/522640896.db2.gz CKKYRTJLFGIZST-HSZRJFAPSA-N 1 1 481.637 4.851 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021810708 522746257 /nfs/dbraw/zinc/74/62/57/522746257.db2.gz JTPZQKXLOULWKA-HHHXNRCGSA-N 1 1 468.642 4.552 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)C1CCCCC1 ZINC000021729366 522765936 /nfs/dbraw/zinc/76/59/36/522765936.db2.gz YJQLKZDPUWCGPN-UHFFFAOYSA-N 1 1 462.638 4.908 50 0 JJAAMO CN(CCCNc1cc[nH+]c2cc(Cl)ccc12)S(=O)(=O)c1ccc(Br)cc1 ZINC000018173147 522771276 /nfs/dbraw/zinc/77/12/76/522771276.db2.gz HCVLDCAITNFZFL-UHFFFAOYSA-N 1 1 468.804 4.773 50 0 JJAAMO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(C(C)C)cc2)CC3)o1 ZINC000012244228 522964019 /nfs/dbraw/zinc/96/40/19/522964019.db2.gz UIJARWJGDONLCU-XMMPIXPASA-N 1 1 493.652 4.716 50 0 JJAAMO CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697284 523142062 /nfs/dbraw/zinc/14/20/62/523142062.db2.gz WNDTUDPNFJSVGY-VWLOTQADSA-N 1 1 467.610 4.655 50 0 JJAAMO C[N@@H+](Cc1cccc(OCCNC(=O)[C@H]2CCOC(C)(C)C2)c1)Cc1cccc2cccnc21 ZINC000014975966 523317271 /nfs/dbraw/zinc/31/72/71/523317271.db2.gz SDYQUDGZJARTDS-QHCPKHFHSA-N 1 1 461.606 4.567 50 0 JJAAMO COc1ccc(-n2cc(C(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)c3ccccc3c2=O)cc1 ZINC000020509008 523326032 /nfs/dbraw/zinc/32/60/32/523326032.db2.gz WYYDQYZJLPIWFH-UHFFFAOYSA-N 1 1 485.584 4.767 50 0 JJAAMO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([N@@H+](C)Cc1nc(-c3ccccc3)cs1)C2 ZINC000014749785 523546935 /nfs/dbraw/zinc/54/69/35/523546935.db2.gz MJLZXXHPAWRIOD-HSZRJFAPSA-N 1 1 497.668 4.731 50 0 JJAAMO CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000020179905 523673593 /nfs/dbraw/zinc/67/35/93/523673593.db2.gz LQUIPYZRMWPFAO-ITYLOYPMSA-N 1 1 487.600 4.893 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036306315 523734536 /nfs/dbraw/zinc/73/45/36/523734536.db2.gz LXDJMYZUNPBIEY-XMMPIXPASA-N 1 1 481.637 4.670 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036307437 523736296 /nfs/dbraw/zinc/73/62/96/523736296.db2.gz GBFYJUXYCMUUOH-QHCPKHFHSA-N 1 1 485.600 4.500 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000036303631 523737986 /nfs/dbraw/zinc/73/79/86/523737986.db2.gz BQQZKVGPSWUGPI-QHCPKHFHSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000036303631 523737991 /nfs/dbraw/zinc/73/79/91/523737991.db2.gz BQQZKVGPSWUGPI-QHCPKHFHSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036304682 523738278 /nfs/dbraw/zinc/73/82/78/523738278.db2.gz KFXQYYSXLIOUEC-XMMPIXPASA-N 1 1 481.637 4.906 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036304682 523738289 /nfs/dbraw/zinc/73/82/89/523738289.db2.gz KFXQYYSXLIOUEC-XMMPIXPASA-N 1 1 481.637 4.906 50 0 JJAAMO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OCCNC(=O)c1cccc(Cl)c1 ZINC000014981512 524034025 /nfs/dbraw/zinc/03/40/25/524034025.db2.gz KKANPOSZOOWZIH-UHFFFAOYSA-N 1 1 494.035 4.788 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2cccs2)CC3)c1 ZINC000014993679 524369988 /nfs/dbraw/zinc/36/99/88/524369988.db2.gz GKIOWWZDPMAAFM-QFIPXVFZSA-N 1 1 451.640 4.532 50 0 JJAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc4nc(CCc5ccccc5)oc4c3)CC2)c1C ZINC000064968189 524556612 /nfs/dbraw/zinc/55/66/12/524556612.db2.gz RDWIJDTUMJPZPW-UHFFFAOYSA-N 1 1 482.628 4.782 50 0 JJAAMO C[C@@H](CNS(=O)(=O)c1cccc2cccnc21)Oc1cccc(C[N@@H+](C)Cc2ccsc2)c1 ZINC000012281419 524746757 /nfs/dbraw/zinc/74/67/57/524746757.db2.gz KWPGROOJRGOTSE-IBGZPJMESA-N 1 1 481.643 4.674 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)C1 ZINC000021863317 525382577 /nfs/dbraw/zinc/38/25/77/525382577.db2.gz MISIYDDAZMPYOZ-KERYWQKISA-N 1 1 494.680 4.780 50 0 JJAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000036309537 525433134 /nfs/dbraw/zinc/43/31/34/525433134.db2.gz KSMMBAGXRONPML-SHQCIBLASA-N 1 1 492.685 4.875 50 0 JJAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000035461409 525675128 /nfs/dbraw/zinc/67/51/28/525675128.db2.gz RQCSRACEJIXYRQ-NRFANRHFSA-N 1 1 467.683 4.533 50 0 JJAAMO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)c1 ZINC000012371613 525704951 /nfs/dbraw/zinc/70/49/51/525704951.db2.gz DDTOXYXZWVFIFO-DYESRHJHSA-N 1 1 488.510 4.845 50 0 JJAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4)cc2)CC3)c1 ZINC000014992504 525829082 /nfs/dbraw/zinc/82/90/82/525829082.db2.gz SUOLYEGGMFNHSH-OAQYLSRUSA-N 1 1 481.600 4.503 50 0 JJAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)COc3ccccc3)n2)cc1Cl ZINC000036147833 525877089 /nfs/dbraw/zinc/87/70/89/525877089.db2.gz KLZZREUGUUWZRO-HXUWFJFHSA-N 1 1 467.953 4.776 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146331 525924007 /nfs/dbraw/zinc/92/40/07/525924007.db2.gz FAXDELZOWUIHHJ-AHKZPQOWSA-N 1 1 495.019 4.922 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327338 526142771 /nfs/dbraw/zinc/14/27/71/526142771.db2.gz SZMUTNWZRZEBHI-CABCVRRESA-N 1 1 451.901 4.619 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327338 526142784 /nfs/dbraw/zinc/14/27/84/526142784.db2.gz SZMUTNWZRZEBHI-CABCVRRESA-N 1 1 451.901 4.619 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305612 526241849 /nfs/dbraw/zinc/24/18/49/526241849.db2.gz JOMOONWWQWXPIR-HSZRJFAPSA-N 1 1 479.621 4.886 50 0 JJAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000048309293 526529514 /nfs/dbraw/zinc/52/95/14/526529514.db2.gz CHSXEPVSYFSJST-UHFFFAOYSA-N 1 1 451.527 4.542 50 0 JJAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012196544 526554535 /nfs/dbraw/zinc/55/45/35/526554535.db2.gz OPIMZKKXDBRAQH-SFHVURJKSA-N 1 1 450.501 4.707 50 0 JJAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805232 526577243 /nfs/dbraw/zinc/57/72/43/526577243.db2.gz WBODINCEVNNABW-OAQYLSRUSA-N 1 1 467.953 4.723 50 0 JJAAMO Cc1nc(C(=O)NCCCOc2ccc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc2)cs1 ZINC000014884167 526648120 /nfs/dbraw/zinc/64/81/20/526648120.db2.gz STGFXQDJSLHUPB-UHFFFAOYSA-N 1 1 485.053 4.626 50 0 JJAAMO O=C(C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309078 526697351 /nfs/dbraw/zinc/69/73/51/526697351.db2.gz SAYMTBLKFDWUPX-SQHAQQRYSA-N 1 1 490.669 4.569 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@@H+](C)CCc2ccccc2)CC1 ZINC000009731736 526731849 /nfs/dbraw/zinc/73/18/49/526731849.db2.gz STSCORVUSCRKQD-UHFFFAOYSA-N 1 1 495.067 4.806 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@H+](C)CCc2ccccc2)CC1 ZINC000009731736 526731856 /nfs/dbraw/zinc/73/18/56/526731856.db2.gz STSCORVUSCRKQD-UHFFFAOYSA-N 1 1 495.067 4.806 50 0 JJAAMO O=C(c1ccco1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014995370 526827455 /nfs/dbraw/zinc/82/74/55/526827455.db2.gz LQRPNZBCGZCCSF-QHCPKHFHSA-N 1 1 477.580 4.672 50 0 JJAAMO Cc1nc(C[N@H+](C)[C@@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)cs1 ZINC000014978488 526844080 /nfs/dbraw/zinc/84/40/80/526844080.db2.gz AQEJIAGSHMLCEQ-LJQANCHMSA-N 1 1 462.644 4.552 50 0 JJAAMO Cc1sc(C)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1-c1cc(C(F)(F)F)on1 ZINC000033299348 526875416 /nfs/dbraw/zinc/87/54/16/526875416.db2.gz XRKUVCPDHUQYPW-UHFFFAOYSA-N 1 1 477.574 4.678 50 0 JJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3cccc(F)c3)[N@@H+]3CCC[C@@]123 ZINC000012434323 527037538 /nfs/dbraw/zinc/03/75/38/527037538.db2.gz RAIPEJBCNOERGN-PZGSVQSZSA-N 1 1 450.945 4.807 50 0 JJAAMO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3cccc(F)c3F)CC2)C(=O)N1C1CCCC1 ZINC000014881395 527086710 /nfs/dbraw/zinc/08/67/10/527086710.db2.gz LVCHLLJYKDJWFM-HHHXNRCGSA-N 1 1 485.550 4.792 50 0 JJAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc1CC2 ZINC000033266757 527550857 /nfs/dbraw/zinc/55/08/57/527550857.db2.gz KJOUDXBESISFPD-UHFFFAOYSA-N 1 1 456.615 4.870 50 0 JJAAMO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000020436430 527554564 /nfs/dbraw/zinc/55/45/64/527554564.db2.gz QYOTWBMBUVWASV-UHFFFAOYSA-N 1 1 467.617 4.623 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156229 527658581 /nfs/dbraw/zinc/65/85/81/527658581.db2.gz JQXUTGBBRRLXNH-JOCHJYFZSA-N 1 1 477.561 4.708 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156229 527658584 /nfs/dbraw/zinc/65/85/84/527658584.db2.gz JQXUTGBBRRLXNH-JOCHJYFZSA-N 1 1 477.561 4.708 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150907 527661394 /nfs/dbraw/zinc/66/13/94/527661394.db2.gz MEIVMTOPDVRYDJ-AREMUKBSSA-N 1 1 499.611 4.620 50 0 JJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139884 527671736 /nfs/dbraw/zinc/67/17/36/527671736.db2.gz CDHJXZBRYHITDA-UHFFFAOYSA-N 1 1 485.009 4.526 50 0 JJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515306 527674834 /nfs/dbraw/zinc/67/48/34/527674834.db2.gz JFZIGSQNDQRLCN-JGCGQSQUSA-N 1 1 471.022 4.560 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000000843552 553794268 /nfs/dbraw/zinc/79/42/68/553794268.db2.gz NVOFCQQDDIVHLH-FTJBHMTQSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002316005 554145641 /nfs/dbraw/zinc/14/56/41/554145641.db2.gz YVZSDIFENZKOCZ-UIOOFZCWSA-N 1 1 451.530 4.565 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)cc1 ZINC000002351538 554161822 /nfs/dbraw/zinc/16/18/22/554161822.db2.gz HIXZEHCGHKBCBB-RPBOFIJWSA-N 1 1 450.498 4.586 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000002395436 554182165 /nfs/dbraw/zinc/18/21/65/554182165.db2.gz UVCMGFNYYQAPDR-FTJBHMTQSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000002434843 554207120 /nfs/dbraw/zinc/20/71/20/554207120.db2.gz WQGRVIWHZBNCBU-KWTBFXGESA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000002434843 554207121 /nfs/dbraw/zinc/20/71/21/554207121.db2.gz WQGRVIWHZBNCBU-KWTBFXGESA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)c(OC)c1OC ZINC000002624240 554248239 /nfs/dbraw/zinc/24/82/39/554248239.db2.gz DPYURSACHOSWRT-GOSISDBHSA-N 1 1 451.991 4.669 50 0 JJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000008789428 554681926 /nfs/dbraw/zinc/68/19/26/554681926.db2.gz MGXWFQMOWOODPK-PTJQVGQKSA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000008789428 554681928 /nfs/dbraw/zinc/68/19/28/554681928.db2.gz MGXWFQMOWOODPK-PTJQVGQKSA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO Cc1nnc(Sc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)s1 ZINC000008813128 554695108 /nfs/dbraw/zinc/69/51/08/554695108.db2.gz CVDACWAPOJYXLM-IYBDPMFKSA-N 1 1 455.653 4.644 50 0 JJAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000008868667 554762358 /nfs/dbraw/zinc/76/23/58/554762358.db2.gz RMEBLBDZRGUWLZ-FXAWDEMLSA-N 1 1 458.484 4.836 50 0 JJAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000009209694 554979040 /nfs/dbraw/zinc/97/90/40/554979040.db2.gz STJRWKNLPIRAML-XMMPIXPASA-N 1 1 452.558 4.524 50 0 JJAAMO CC(C)Cn1cc(NC(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000009227570 555000561 /nfs/dbraw/zinc/00/05/61/555000561.db2.gz YTXGBUYPOGRJGH-UHFFFAOYSA-N 1 1 450.583 4.817 50 0 JJAAMO CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000009251652 555026079 /nfs/dbraw/zinc/02/60/79/555026079.db2.gz APUJIWJYFIULBB-JOCHJYFZSA-N 1 1 469.589 4.912 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)CC1 ZINC000009265197 555040814 /nfs/dbraw/zinc/04/08/14/555040814.db2.gz XFNWLTRRZWNADD-UHFFFAOYSA-N 1 1 481.568 4.787 50 0 JJAAMO O=S(=O)(NCC[N@@H+](Cc1ccco1)C1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268836 555044072 /nfs/dbraw/zinc/04/40/72/555044072.db2.gz VANZUXUUFBDCNH-UHFFFAOYSA-N 1 1 489.541 4.738 50 0 JJAAMO Cc1nn([C@@H](C)C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)c(=O)c2c3ccccc3sc21 ZINC000009288973 555062873 /nfs/dbraw/zinc/06/28/73/555062873.db2.gz UPBDGIIRYYVLTF-FQEVSTJZSA-N 1 1 476.646 4.898 50 0 JJAAMO CC[C@@H](C(=O)NCCC[N@@H+](CC)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289351 555063728 /nfs/dbraw/zinc/06/37/28/555063728.db2.gz RLDIEDXPMOXHJI-QFIPXVFZSA-N 1 1 476.646 4.899 50 0 JJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344502 555109919 /nfs/dbraw/zinc/10/99/19/555109919.db2.gz CMNXDOKZXKEOQO-AOYPEHQESA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000009345003 555110552 /nfs/dbraw/zinc/11/05/52/555110552.db2.gz WFINIUBSIDPZTK-FTJBHMTQSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000009345799 555112243 /nfs/dbraw/zinc/11/22/43/555112243.db2.gz MTFYMHZOZXWHLO-DQEYMECFSA-N 1 1 456.477 4.647 50 0 JJAAMO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c(C)c12 ZINC000009407814 555169443 /nfs/dbraw/zinc/16/94/43/555169443.db2.gz RBAJUDAAIPDVSK-JOCHJYFZSA-N 1 1 459.638 4.659 50 0 JJAAMO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)c21 ZINC000009465108 555238666 /nfs/dbraw/zinc/23/86/66/555238666.db2.gz BLUXEUNXLQTXEA-UHFFFAOYSA-N 1 1 477.605 4.565 50 0 JJAAMO COc1ccc2nc3sc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3cc2c1 ZINC000009561550 555359627 /nfs/dbraw/zinc/35/96/27/555359627.db2.gz NPAWYQXQZYYNFI-UHFFFAOYSA-N 1 1 478.593 4.539 50 0 JJAAMO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013463765 555401314 /nfs/dbraw/zinc/40/13/14/555401314.db2.gz SBODRXHINCSCAB-CQSZACIVSA-N 1 1 472.825 4.818 50 0 JJAAMO COc1cc(C[N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)ccc1OCc1ccccc1 ZINC000009595433 555411916 /nfs/dbraw/zinc/41/19/16/555411916.db2.gz LVZAEIVEWRXAQR-UHFFFAOYSA-N 1 1 494.389 4.677 50 0 JJAAMO COc1cc(C[N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)ccc1OCc1ccccc1 ZINC000009595433 555411917 /nfs/dbraw/zinc/41/19/17/555411917.db2.gz LVZAEIVEWRXAQR-UHFFFAOYSA-N 1 1 494.389 4.677 50 0 JJAAMO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000009598003 555415393 /nfs/dbraw/zinc/41/53/93/555415393.db2.gz ZJKLNCOOAYOMNM-SZPZYZBQSA-N 1 1 493.696 4.736 50 0 JJAAMO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000009610301 555440443 /nfs/dbraw/zinc/44/04/43/555440443.db2.gz WWSRNBAJYCKKNU-DEOSSOPVSA-N 1 1 475.681 4.989 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000009714332 555443129 /nfs/dbraw/zinc/44/31/29/555443129.db2.gz SEECAQGJILCOAS-MUUNZHRXSA-N 1 1 496.611 4.724 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000009714331 555443165 /nfs/dbraw/zinc/44/31/65/555443165.db2.gz SEECAQGJILCOAS-NDEPHWFRSA-N 1 1 496.611 4.724 50 0 JJAAMO CCOc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](CCO)CC2)cc1 ZINC000019880246 555525604 /nfs/dbraw/zinc/52/56/04/555525604.db2.gz SXWKTUITQAVEGZ-SANMLTNESA-N 1 1 493.673 4.715 50 0 JJAAMO CCc1cc([C@@H](c2cccc(Cl)c2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880713 555525932 /nfs/dbraw/zinc/52/59/32/555525932.db2.gz AYZBCNIRBBQZMZ-XMMPIXPASA-N 1 1 484.065 4.916 50 0 JJAAMO O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013592598 555527488 /nfs/dbraw/zinc/52/74/88/555527488.db2.gz YFHSBVRSLHRWAC-OHTANWTRSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013592598 555527490 /nfs/dbraw/zinc/52/74/90/555527490.db2.gz YFHSBVRSLHRWAC-OHTANWTRSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000013607148 555531304 /nfs/dbraw/zinc/53/13/04/555531304.db2.gz GMFSZWFKYGVOPH-PUWQJRQGSA-N 1 1 486.955 4.977 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000013607145 555531343 /nfs/dbraw/zinc/53/13/43/555531343.db2.gz GMFSZWFKYGVOPH-KPGAXOGXSA-N 1 1 486.955 4.977 50 0 JJAAMO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019911458 555537753 /nfs/dbraw/zinc/53/77/53/555537753.db2.gz JEAQLWJWPZGRJC-UHFFFAOYSA-N 1 1 483.999 4.703 50 0 JJAAMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000019913893 555539495 /nfs/dbraw/zinc/53/94/95/555539495.db2.gz DBBYSNYVHLSCOA-HHHXNRCGSA-N 1 1 463.585 4.670 50 0 JJAAMO O=C1C[C@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000013688954 555582278 /nfs/dbraw/zinc/58/22/78/555582278.db2.gz IJHVMVQAASPYLT-VWLOTQADSA-N 1 1 474.988 4.620 50 0 JJAAMO COc1ccc2c(c1)occ(Oc1ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc1)c2=O ZINC000013691174 555585096 /nfs/dbraw/zinc/58/50/96/555585096.db2.gz OFYLTKNAHZLANO-UHFFFAOYSA-N 1 1 470.525 4.552 50 0 JJAAMO CC(C)c1ccc(NC(=O)COCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013942287 555653355 /nfs/dbraw/zinc/65/33/55/555653355.db2.gz RCFAWVPKUUBRQF-UHFFFAOYSA-N 1 1 485.628 4.699 50 0 JJAAMO O=C(c1ccc(I)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166870 555677706 /nfs/dbraw/zinc/67/77/06/555677706.db2.gz LUDSFKFBCPASAL-UHFFFAOYSA-N 1 1 482.365 4.839 50 0 JJAAMO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000020181282 555688212 /nfs/dbraw/zinc/68/82/12/555688212.db2.gz CCIUBCIXPATJTR-GVRUPNCLSA-N 1 1 463.647 4.856 50 0 JJAAMO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[N@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000020181289 555688239 /nfs/dbraw/zinc/68/82/39/555688239.db2.gz ZBPSIAFPAOMSDD-NLRVBDNBSA-N 1 1 471.626 4.723 50 0 JJAAMO Cc1nn(-c2ccc(C(=O)N3CC[NH+](Cc4cccc5cccnc54)CC3)cc2)c(C)c1Cl ZINC000014182072 555724143 /nfs/dbraw/zinc/72/41/43/555724143.db2.gz MNMQDKHKRNVJIU-UHFFFAOYSA-N 1 1 459.981 4.649 50 0 JJAAMO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([N@@H+](C)Cc2ccccc2)C4)c1 ZINC000020233521 555724559 /nfs/dbraw/zinc/72/45/59/555724559.db2.gz MQGMEZUMQICJGF-NRFANRHFSA-N 1 1 459.615 4.699 50 0 JJAAMO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020282565 555752491 /nfs/dbraw/zinc/75/24/91/555752491.db2.gz WDTZSHBFBIMCPQ-UHFFFAOYSA-N 1 1 488.035 4.944 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCc3ccc(C(=O)N(C)C)cc3)c2c1C ZINC000014253201 555755048 /nfs/dbraw/zinc/75/50/48/555755048.db2.gz SRLQQGBFHZITCE-UHFFFAOYSA-N 1 1 451.640 4.854 50 0 JJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000014273615 555773932 /nfs/dbraw/zinc/77/39/32/555773932.db2.gz ITVJWEBKHMPVAI-UHFFFAOYSA-N 1 1 463.965 4.686 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508543 555792005 /nfs/dbraw/zinc/79/20/05/555792005.db2.gz LBPCMQHXRCHVBN-VEXUSMLFSA-N 1 1 451.636 4.572 50 0 JJAAMO CC[C@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532132 555800107 /nfs/dbraw/zinc/80/01/07/555800107.db2.gz KVBYLEZRFGLCJB-SFHVURJKSA-N 1 1 484.622 4.825 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000020532246 555801320 /nfs/dbraw/zinc/80/13/20/555801320.db2.gz KCBCOSNJWLDXHJ-INIZCTEOSA-N 1 1 454.596 4.817 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1C1Cc2ccccc2C1 ZINC000011785179 555817445 /nfs/dbraw/zinc/81/74/45/555817445.db2.gz KZJWWSQIPPFRQA-BVAGGSTKSA-N 1 1 498.652 4.590 50 0 JJAAMO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000014531757 555819284 /nfs/dbraw/zinc/81/92/84/555819284.db2.gz YBLDSMKKCBUONR-LOSJGSFVSA-N 1 1 473.592 4.836 50 0 JJAAMO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cc3ccccc3s1)CC2 ZINC000011788135 555822423 /nfs/dbraw/zinc/82/24/23/555822423.db2.gz YXZAPIPJPMDJPW-HXUWFJFHSA-N 1 1 463.607 4.661 50 0 JJAAMO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020600095 555841253 /nfs/dbraw/zinc/84/12/53/555841253.db2.gz GSFBGQZHAFTZCD-FQEVSTJZSA-N 1 1 469.589 4.704 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccsc2)CC3)c1 ZINC000011910901 555858357 /nfs/dbraw/zinc/85/83/57/555858357.db2.gz PEPWKEQWILDPTJ-JOCHJYFZSA-N 1 1 451.640 4.532 50 0 JJAAMO COc1ccccc1[C@H]([C@@H](O)C(=O)c1c[nH]c2ccccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015017581 555858742 /nfs/dbraw/zinc/85/87/42/555858742.db2.gz ZUKHPVKRMOMZBA-IXCJQBJRSA-N 1 1 490.003 4.937 50 0 JJAAMO COc1ccc(-c2nn(CN3CCC[N@@H+](C)CC3)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000022039127 555865544 /nfs/dbraw/zinc/86/55/44/555865544.db2.gz SIROFIQLPGOTBZ-UHFFFAOYSA-N 1 1 477.556 4.693 50 0 JJAAMO Cc1cccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@H]2N2CCOCC2)c1 ZINC000015067922 555867996 /nfs/dbraw/zinc/86/79/96/555867996.db2.gz BUOZGHNMCHJNCF-WIOPSUGQSA-N 1 1 456.030 4.590 50 0 JJAAMO Cc1cccc(NC(=O)CC[C@H]2CN(Cc3ccccc3Cl)CC[C@H]2[NH+]2CCOCC2)c1 ZINC000015067922 555868000 /nfs/dbraw/zinc/86/80/00/555868000.db2.gz BUOZGHNMCHJNCF-WIOPSUGQSA-N 1 1 456.030 4.590 50 0 JJAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000012026462 555886003 /nfs/dbraw/zinc/88/60/03/555886003.db2.gz CROFUVFNPGOEGE-UHFFFAOYSA-N 1 1 451.485 4.808 50 0 JJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012054336 555897939 /nfs/dbraw/zinc/89/79/39/555897939.db2.gz AUTXDQHJVNDOFP-LBNVMWSVSA-N 1 1 489.635 4.945 50 0 JJAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)CCCCc2ccccc2)CCO3)C1 ZINC000012098714 555905631 /nfs/dbraw/zinc/90/56/31/555905631.db2.gz YKFRVXBTWCQPNW-RUZDIDTESA-N 1 1 450.623 4.679 50 0 JJAAMO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc21 ZINC000012140816 555919671 /nfs/dbraw/zinc/91/96/71/555919671.db2.gz PJXQTEWYVSKGKD-UHFFFAOYSA-N 1 1 459.571 4.744 50 0 JJAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc3cc(C)ccc3n(Cc3cccc(F)c3)c2=O)C1 ZINC000012150330 555922521 /nfs/dbraw/zinc/92/25/21/555922521.db2.gz OPAABTNXXXBJAO-QFIPXVFZSA-N 1 1 463.597 4.578 50 0 JJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]1 ZINC000015671216 555928197 /nfs/dbraw/zinc/92/81/97/555928197.db2.gz AUIKYDZLBQMSLJ-UHFFFAOYSA-N 1 1 457.456 4.636 50 0 JJAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c(C)c1C ZINC000015671344 555928418 /nfs/dbraw/zinc/92/84/18/555928418.db2.gz SVODDNRLLHYAAI-UHFFFAOYSA-N 1 1 467.595 4.555 50 0 JJAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC(C)(C)CO ZINC000012161361 555930824 /nfs/dbraw/zinc/93/08/24/555930824.db2.gz JVXPRKQBTFCTBH-IBGZPJMESA-N 1 1 452.620 4.874 50 0 JJAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000012376171 555963511 /nfs/dbraw/zinc/96/35/11/555963511.db2.gz VCOSMFDYDVSERY-NFQMXDRXSA-N 1 1 473.573 4.552 50 0 JJAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc(F)cc1 ZINC000012376171 555963515 /nfs/dbraw/zinc/96/35/15/555963515.db2.gz VCOSMFDYDVSERY-NFQMXDRXSA-N 1 1 473.573 4.552 50 0 JJAAMO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022917753 555971359 /nfs/dbraw/zinc/97/13/59/555971359.db2.gz XCPCPPYNRLFMLI-UHFFFAOYSA-N 1 1 477.630 4.657 50 0 JJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)C1 ZINC000015732342 555976641 /nfs/dbraw/zinc/97/66/41/555976641.db2.gz MIIUCLIZZUYABV-NRFANRHFSA-N 1 1 492.689 4.782 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000022937354 555990074 /nfs/dbraw/zinc/99/00/74/555990074.db2.gz ALGHNDLADUYKEB-UHFFFAOYSA-N 1 1 458.631 4.630 50 0 JJAAMO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000022939624 555992807 /nfs/dbraw/zinc/99/28/07/555992807.db2.gz GDZYSQHMOGEHOQ-DEOSSOPVSA-N 1 1 477.630 4.909 50 0 JJAAMO COc1ccc(-c2nn3c(nc(C)cc3N3CC[NH+](C/C=C/c4ccccc4)CC3)c2C)cc1OC ZINC000023118840 556012601 /nfs/dbraw/zinc/01/26/01/556012601.db2.gz XEYMHWXSGAJAID-DHZHZOJOSA-N 1 1 483.616 4.866 50 0 JJAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000012563574 556058570 /nfs/dbraw/zinc/05/85/70/556058570.db2.gz XBDLIAMFDAPGOF-WIOPSUGQSA-N 1 1 493.604 4.691 50 0 JJAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000012563574 556058573 /nfs/dbraw/zinc/05/85/73/556058573.db2.gz XBDLIAMFDAPGOF-WIOPSUGQSA-N 1 1 493.604 4.691 50 0 JJAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2 ZINC000015946652 556083146 /nfs/dbraw/zinc/08/31/46/556083146.db2.gz AZJHOQQMFRLBJJ-MRXNPFEDSA-N 1 1 471.623 4.709 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2 ZINC000015946652 556083148 /nfs/dbraw/zinc/08/31/48/556083148.db2.gz AZJHOQQMFRLBJJ-MRXNPFEDSA-N 1 1 471.623 4.709 50 0 JJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016033364 556117331 /nfs/dbraw/zinc/11/73/31/556117331.db2.gz PJPSXAHSLNRRMD-HFLBTKGNSA-N 1 1 485.543 4.994 50 0 JJAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016033364 556117334 /nfs/dbraw/zinc/11/73/34/556117334.db2.gz PJPSXAHSLNRRMD-HFLBTKGNSA-N 1 1 485.543 4.994 50 0 JJAAMO COc1ccc(C[N@H+](Cc2nc(CNC(=O)c3ccccc3)no2)[C@H](C)Cc2cccs2)cc1 ZINC000024983317 556168920 /nfs/dbraw/zinc/16/89/20/556168920.db2.gz AWTNZXKLMXFREX-LJQANCHMSA-N 1 1 476.602 4.703 50 0 JJAAMO COc1ccc(C[N@@H+](Cc2nc(CNC(=O)c3ccccc3)no2)[C@H](C)Cc2cccs2)cc1 ZINC000024983317 556168921 /nfs/dbraw/zinc/16/89/21/556168921.db2.gz AWTNZXKLMXFREX-LJQANCHMSA-N 1 1 476.602 4.703 50 0 JJAAMO CN(C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccccc1C(=O)NCc1ccco1 ZINC000012978074 556170916 /nfs/dbraw/zinc/17/09/16/556170916.db2.gz SWKINNINNDKSIF-UHFFFAOYSA-N 1 1 488.613 4.662 50 0 JJAAMO C[C@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891034 556172140 /nfs/dbraw/zinc/17/21/40/556172140.db2.gz HUNCPUYVRHVDSC-HJPURHCSSA-N 1 1 459.537 4.847 50 0 JJAAMO O=C(CSc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000025051105 556174560 /nfs/dbraw/zinc/17/45/60/556174560.db2.gz HUISWGPQGKIRIS-QFIPXVFZSA-N 1 1 463.578 4.561 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)n2)cc1 ZINC000017012423 556202428 /nfs/dbraw/zinc/20/24/28/556202428.db2.gz DRPOZGXFFLVSTB-UHFFFAOYSA-N 1 1 453.546 4.653 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4Br)CC3)n2)cc1 ZINC000017042632 556208945 /nfs/dbraw/zinc/20/89/45/556208945.db2.gz LCGUTWKSSSXGLS-UHFFFAOYSA-N 1 1 466.383 4.562 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(Br)cc4)CC3)n2)cc1 ZINC000017042576 556209077 /nfs/dbraw/zinc/20/90/77/556209077.db2.gz ODIBXFJOCUQSJQ-UHFFFAOYSA-N 1 1 466.383 4.562 50 0 JJAAMO CCCCOc1ccc(S(=O)(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017270956 556249484 /nfs/dbraw/zinc/24/94/84/556249484.db2.gz OGNXTWYKAFSLMD-UHFFFAOYSA-N 1 1 495.649 4.527 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OCC)c(OC)c2)sc2c1CCCC2 ZINC000013055669 556250048 /nfs/dbraw/zinc/25/00/48/556250048.db2.gz BQPJFINHSQXCFQ-INIZCTEOSA-N 1 1 474.623 4.670 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OCC)c(OC)c2)sc2c1CCCC2 ZINC000013055669 556250053 /nfs/dbraw/zinc/25/00/53/556250053.db2.gz BQPJFINHSQXCFQ-INIZCTEOSA-N 1 1 474.623 4.670 50 0 JJAAMO COc1ccc(-c2nc3ccc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)cc3[nH]2)cc1OC ZINC000027208988 556275110 /nfs/dbraw/zinc/27/51/10/556275110.db2.gz BMRRDFCQNOZNNR-UHFFFAOYSA-N 1 1 468.561 4.542 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)C1 ZINC000013110931 556312050 /nfs/dbraw/zinc/31/20/50/556312050.db2.gz CEGAPRIZWVWVHJ-BGYRXZFFSA-N 1 1 460.574 4.629 50 0 JJAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288869 556327850 /nfs/dbraw/zinc/32/78/50/556327850.db2.gz VPLZNPJLXGVXCB-FQEVSTJZSA-N 1 1 485.378 4.521 50 0 JJAAMO Cc1ccc(-c2nnc(O[C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)cc1 ZINC000013134500 556363278 /nfs/dbraw/zinc/36/32/78/556363278.db2.gz WGNHYLMYSYRCTB-JOCHJYFZSA-N 1 1 466.585 4.717 50 0 JJAAMO Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000019741416 556364634 /nfs/dbraw/zinc/36/46/34/556364634.db2.gz VETACPNKTWDBGX-MUUNZHRXSA-N 1 1 494.643 4.834 50 0 JJAAMO COc1ccc(OC)c(C[NH+]2CCN(c3nc(-c4cccnc4)nc4sc(C)c(C)c43)CC2)c1 ZINC000013134943 556364936 /nfs/dbraw/zinc/36/49/36/556364936.db2.gz MMFXLDCZYPUQLF-UHFFFAOYSA-N 1 1 475.618 4.710 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCN(C(=O)C4CCCC4)CC3)c2c1C ZINC000032826143 556505545 /nfs/dbraw/zinc/50/55/45/556505545.db2.gz CXZDNILHPGIRIY-UHFFFAOYSA-N 1 1 469.699 4.769 50 0 JJAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Br)cc2F)c1 ZINC000032931693 556546571 /nfs/dbraw/zinc/54/65/71/556546571.db2.gz CKYUVHFTISVVRU-CYBMUJFWSA-N 1 1 466.326 4.793 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Br)cc2F)c1 ZINC000032931693 556546574 /nfs/dbraw/zinc/54/65/74/556546574.db2.gz CKYUVHFTISVVRU-CYBMUJFWSA-N 1 1 466.326 4.793 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000008590255 562942586 /nfs/dbraw/zinc/94/25/86/562942586.db2.gz LHPPYLHMMDGYTL-INIZCTEOSA-N 1 1 452.580 4.586 50 0 JJAAMO CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000008590195 562942594 /nfs/dbraw/zinc/94/25/94/562942594.db2.gz DMDSURZRBVWVKZ-INIZCTEOSA-N 1 1 452.580 4.586 50 0 JJAAMO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)c(=O)n1Cc1ccco1 ZINC000008617142 562948172 /nfs/dbraw/zinc/94/81/72/562948172.db2.gz JWTIXQUEOUMPDA-MHZLTWQESA-N 1 1 473.548 4.554 50 0 aggregator JJAAMO Cc1cc(O)c([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617170 562948224 /nfs/dbraw/zinc/94/82/24/562948224.db2.gz SNBVZJFNNGEKHU-HHHXNRCGSA-N 1 1 473.548 4.554 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@@H](c2c(C)c(C)sc2NC(=O)c2ccco2)c2cccnc2)CC1 ZINC000054072963 563205904 /nfs/dbraw/zinc/20/59/04/563205904.db2.gz FYETUTFFCYTDPF-JOCHJYFZSA-N 1 1 467.591 4.970 50 0 JJAAMO COc1ccc(-c2c(C)oc3cc(OCC[NH+]4CCN(c5ccccc5)CC4)ccc3c2=O)cc1 ZINC000054307063 569589905 /nfs/dbraw/zinc/58/99/05/569589905.db2.gz MSRRVTPOQLKAPZ-UHFFFAOYSA-N 1 1 470.569 4.978 50 0 biogenic JJAAMO O=C(c1sc2c(c1Cl)c(OC(F)F)ccc2Br)N1CC[N@H+]2CCC[C@H]2C1 ZINC000054972783 569590320 /nfs/dbraw/zinc/59/03/20/569590320.db2.gz CSLGMXKYJFTFCA-VIFPVBQESA-N 1 1 465.747 4.839 50 0 JJAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1C(F)(F)F ZINC000055052596 569590476 /nfs/dbraw/zinc/59/04/76/569590476.db2.gz XZUKAOGALUNPSM-UZLBHIALSA-N 1 1 460.525 4.596 50 0 JJAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000055052596 569590477 /nfs/dbraw/zinc/59/04/77/569590477.db2.gz XZUKAOGALUNPSM-UZLBHIALSA-N 1 1 460.525 4.596 50 0 JJAAMO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000057289898 569595732 /nfs/dbraw/zinc/59/57/32/569595732.db2.gz BVMDJPYFXGRGRF-AREMUKBSSA-N 1 1 473.573 4.821 50 0 JJAAMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057312455 569596279 /nfs/dbraw/zinc/59/62/79/569596279.db2.gz CVHMWLGGAKSCFX-SANMLTNESA-N 1 1 463.622 4.880 50 0 JJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000057332289 569598941 /nfs/dbraw/zinc/59/89/41/569598941.db2.gz OBVIQQOBJRGYEE-UHFFFAOYSA-N 1 1 498.048 4.832 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(Cc4nc5ccccc5s4)CC3)c2c1C ZINC000008735144 569601887 /nfs/dbraw/zinc/60/18/87/569601887.db2.gz NPXLHJLDVPJENW-UHFFFAOYSA-N 1 1 478.691 4.836 50 0 JJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984013 569607347 /nfs/dbraw/zinc/60/73/47/569607347.db2.gz GRTUIRGIOUJSPT-WGOQTCKBSA-N 1 1 487.987 4.890 50 0 JJAAMO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)c2cc1C ZINC000033006103 569614588 /nfs/dbraw/zinc/61/45/88/569614588.db2.gz XQFLJCPQKFOTHN-UHFFFAOYSA-N 1 1 474.649 4.754 50 0 JJAAMO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000062736084 569614908 /nfs/dbraw/zinc/61/49/08/569614908.db2.gz KVBANBNUAJPTTO-VWLOTQADSA-N 1 1 483.659 4.549 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccc(Oc5ccccc5)c4)CC3)c2C(=O)N1C[C@@H]1CCCO1 ZINC000064061527 569616098 /nfs/dbraw/zinc/61/60/98/569616098.db2.gz KTJOUGSCCUHNOG-VWLOTQADSA-N 1 1 497.595 4.576 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(Nc3ccc(C)cc3)[nH+]c(C)n2)CC1 ZINC000033326791 569623878 /nfs/dbraw/zinc/62/38/78/569623878.db2.gz RHIDJYSKUGAFPY-UHFFFAOYSA-N 1 1 466.973 4.853 50 0 JJAAMO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+](C)Cc2ccccc2)C3=O)o1 ZINC000033331898 569624409 /nfs/dbraw/zinc/62/44/09/569624409.db2.gz WQDAHKYBGABACM-GDLZYMKVSA-N 1 1 490.648 4.728 50 0 JJAAMO CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064801874 569631588 /nfs/dbraw/zinc/63/15/88/569631588.db2.gz NKGJROGRQQJOCF-UHFFFAOYSA-N 1 1 467.595 4.718 50 0 JJAAMO COc1cc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c(C)cc1C ZINC000064802132 569631923 /nfs/dbraw/zinc/63/19/23/569631923.db2.gz PXNJOQPBBNPXHP-UHFFFAOYSA-N 1 1 481.622 4.945 50 0 JJAAMO CC[C@H]1Cn2c(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816629 569633525 /nfs/dbraw/zinc/63/35/25/569633525.db2.gz UIAVCFCJXIFJFU-SFHVURJKSA-N 1 1 485.003 4.547 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000034145550 569639769 /nfs/dbraw/zinc/63/97/69/569639769.db2.gz JNKMSEDHGGNYIG-DFIYOIEZSA-N 1 1 468.041 4.849 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000034669785 569640816 /nfs/dbraw/zinc/64/08/16/569640816.db2.gz UEPLITUZENKSFC-TZBSWOFLSA-N 1 1 470.560 4.720 50 0 JJAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc1 ZINC000034681699 569643457 /nfs/dbraw/zinc/64/34/57/569643457.db2.gz MJTHDDNHAUZFLY-UHFFFAOYSA-N 1 1 464.997 4.773 50 0 JJAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681984 569643724 /nfs/dbraw/zinc/64/37/24/569643724.db2.gz FORZUBDZINOIHM-UHFFFAOYSA-N 1 1 484.522 4.830 50 0 JJAAMO COc1ccccc1CCNC(=O)c1cccc(C[NH+]2CCN(c3cc(Cl)ccc3OC)CC2)c1 ZINC000034682355 569643889 /nfs/dbraw/zinc/64/38/89/569643889.db2.gz JJKJUKGZNSKIAP-UHFFFAOYSA-N 1 1 494.035 4.652 50 0 JJAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)cc1O ZINC000034683575 569644403 /nfs/dbraw/zinc/64/44/03/569644403.db2.gz CWZJDTYLCNECHN-UHFFFAOYSA-N 1 1 452.501 4.990 50 0 JJAAMO C[C@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@@H+]1Cc1ccccc1Cl ZINC000034707980 569650026 /nfs/dbraw/zinc/65/00/26/569650026.db2.gz HOEZTBPWTRMNGE-KRWDZBQOSA-N 1 1 458.953 4.902 50 0 JJAAMO C[C@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@H+]1Cc1ccccc1Cl ZINC000034707980 569650027 /nfs/dbraw/zinc/65/00/27/569650027.db2.gz HOEZTBPWTRMNGE-KRWDZBQOSA-N 1 1 458.953 4.902 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034787643 569659680 /nfs/dbraw/zinc/65/96/80/569659680.db2.gz VPJLWBMAVSLSNJ-AREMUKBSSA-N 1 1 494.060 4.642 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034787643 569659681 /nfs/dbraw/zinc/65/96/81/569659681.db2.gz VPJLWBMAVSLSNJ-AREMUKBSSA-N 1 1 494.060 4.642 50 0 JJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787364 569659712 /nfs/dbraw/zinc/65/97/12/569659712.db2.gz AEVXOSRJSFYGPH-NDEPHWFRSA-N 1 1 487.669 4.633 50 0 JJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787364 569659713 /nfs/dbraw/zinc/65/97/13/569659713.db2.gz AEVXOSRJSFYGPH-NDEPHWFRSA-N 1 1 487.669 4.633 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034787983 569659954 /nfs/dbraw/zinc/65/99/54/569659954.db2.gz LYZZGZZNGOVWMO-SANMLTNESA-N 1 1 467.679 4.501 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034787983 569659955 /nfs/dbraw/zinc/65/99/55/569659955.db2.gz LYZZGZZNGOVWMO-SANMLTNESA-N 1 1 467.679 4.501 50 0 JJAAMO Cc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCN(c5ccccc5F)CC4)nc3)n2)cc1 ZINC000065097821 569661673 /nfs/dbraw/zinc/66/16/73/569661673.db2.gz WDFFTGPDBFZOCJ-UHFFFAOYSA-N 1 1 472.568 4.870 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034830394 569663825 /nfs/dbraw/zinc/66/38/25/569663825.db2.gz ODOBQRCAJJDHSK-NBGIEHNGSA-N 1 1 493.698 4.829 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000034896593 569669528 /nfs/dbraw/zinc/66/95/28/569669528.db2.gz VZDZXMWEJZYSGP-CVEARBPZSA-N 1 1 474.623 4.526 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@@H](C)C2 ZINC000034896593 569669530 /nfs/dbraw/zinc/66/95/30/569669530.db2.gz VZDZXMWEJZYSGP-CVEARBPZSA-N 1 1 474.623 4.526 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000067189421 569677166 /nfs/dbraw/zinc/67/71/66/569677166.db2.gz GMFSZWFKYGVOPH-DAHKTCFSSA-N 1 1 486.955 4.977 50 0 JJAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)c(OC)c1 ZINC000067197147 569677353 /nfs/dbraw/zinc/67/73/53/569677353.db2.gz WTAHBBLQEWUPIB-UHFFFAOYSA-N 1 1 482.584 4.641 50 0 JJAAMO O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000067689749 569690235 /nfs/dbraw/zinc/69/02/35/569690235.db2.gz JTVGQRREZKALDZ-QFIPXVFZSA-N 1 1 491.994 4.766 50 0 JJAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)cn2)cc1C ZINC000035403525 569691308 /nfs/dbraw/zinc/69/13/08/569691308.db2.gz XETDBSMZRCMDDE-UHFFFAOYSA-N 1 1 490.051 4.580 50 0 JJAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)cn2)cc1C ZINC000035403525 569691309 /nfs/dbraw/zinc/69/13/09/569691309.db2.gz XETDBSMZRCMDDE-UHFFFAOYSA-N 1 1 490.051 4.580 50 0 JJAAMO O=C(NCCc1cnc[nH]1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000035451440 569696853 /nfs/dbraw/zinc/69/68/53/569696853.db2.gz XNTGZQKWDHEMBX-UHFFFAOYSA-N 1 1 476.024 4.637 50 0 JJAAMO COCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844877 569715629 /nfs/dbraw/zinc/71/56/29/569715629.db2.gz DKFCEGWAJYOXKP-UHFFFAOYSA-N 1 1 470.560 4.976 50 0 JJAAMO COCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)cc(F)c1 ZINC000035844877 569715630 /nfs/dbraw/zinc/71/56/30/569715630.db2.gz DKFCEGWAJYOXKP-UHFFFAOYSA-N 1 1 470.560 4.976 50 0 JJAAMO CCCCC[N@@H+](CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844995 569715823 /nfs/dbraw/zinc/71/58/23/569715823.db2.gz LYRUVZIIIIFXLP-UHFFFAOYSA-N 1 1 456.627 4.995 50 0 JJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000085876983 569716003 /nfs/dbraw/zinc/71/60/03/569716003.db2.gz GHERQZYTIGQOQT-SIKLNZKXSA-N 1 1 470.411 4.696 50 0 biogenic JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035871736 569718892 /nfs/dbraw/zinc/71/88/92/569718892.db2.gz ZEFCGJSJTKYJJU-XNMGPUDCSA-N 1 1 476.020 4.528 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035871744 569718898 /nfs/dbraw/zinc/71/88/98/569718898.db2.gz IBVKZEOQOOGUOU-IXCJQBJRSA-N 1 1 490.047 4.571 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871762 569718911 /nfs/dbraw/zinc/71/89/11/569718911.db2.gz MERTWDHXFPMKRY-NBYOPXRUSA-N 1 1 473.592 4.575 50 0 JJAAMO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(F)cc4F)CC3)nc2)cc1 ZINC000095543365 569726691 /nfs/dbraw/zinc/72/66/91/569726691.db2.gz BUBXLZOZILIYCA-UHFFFAOYSA-N 1 1 467.520 4.725 50 0 JJAAMO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4F)CC3)nc2)cc1 ZINC000095543365 569726692 /nfs/dbraw/zinc/72/66/92/569726692.db2.gz BUBXLZOZILIYCA-UHFFFAOYSA-N 1 1 467.520 4.725 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CCCC4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545221 569727106 /nfs/dbraw/zinc/72/71/06/569727106.db2.gz VVUQRXAEUQYEPX-UHFFFAOYSA-N 1 1 476.596 4.735 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CCCC4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000095550678 569727526 /nfs/dbraw/zinc/72/75/26/569727526.db2.gz SIXVSTNMPSOTKO-UHFFFAOYSA-N 1 1 472.633 4.904 50 0 JJAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(C)=O)CC4)n3c2)c1 ZINC000095597823 569727808 /nfs/dbraw/zinc/72/78/08/569727808.db2.gz CATVCGRUMWLOKN-UHFFFAOYSA-N 1 1 454.574 4.731 50 0 JJAAMO CCC[C@@H](O)C[N@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927986 569730687 /nfs/dbraw/zinc/73/06/87/569730687.db2.gz OBPHALSPHAJCBU-RUZDIDTESA-N 1 1 464.629 4.861 50 0 JJAAMO CCC[C@@H](O)C[N@@H+](CC)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2 ZINC000035927986 569730688 /nfs/dbraw/zinc/73/06/88/569730688.db2.gz OBPHALSPHAJCBU-RUZDIDTESA-N 1 1 464.629 4.861 50 0 JJAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(C)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991597 569744540 /nfs/dbraw/zinc/74/45/40/569744540.db2.gz JGMZERSLIBERFO-VWLOTQADSA-N 1 1 463.578 4.724 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043009 569754329 /nfs/dbraw/zinc/75/43/29/569754329.db2.gz LVZCUDIOERYWFV-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043009 569754331 /nfs/dbraw/zinc/75/43/31/569754331.db2.gz LVZCUDIOERYWFV-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043003 569754474 /nfs/dbraw/zinc/75/44/74/569754474.db2.gz FRHKGBAMJKIZDK-UZTOHYMASA-N 1 1 460.574 4.630 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000036043003 569754475 /nfs/dbraw/zinc/75/44/75/569754475.db2.gz FRHKGBAMJKIZDK-UZTOHYMASA-N 1 1 460.574 4.630 50 0 JJAAMO CC[C@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048335 569755787 /nfs/dbraw/zinc/75/57/87/569755787.db2.gz UULIMZKPEUSURA-ABYGYWHVSA-N 1 1 458.602 4.941 50 0 JJAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@H](O)COCc1ccco1 ZINC000036245986 569757792 /nfs/dbraw/zinc/75/77/92/569757792.db2.gz SEOVLNBHXLYQKU-UNMCSNQZSA-N 1 1 455.599 4.957 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036301528 569758994 /nfs/dbraw/zinc/75/89/94/569758994.db2.gz LEFAVBKALKQFMP-QFIPXVFZSA-N 1 1 467.610 4.504 50 0 JJAAMO COc1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N[C@@H](C)CCc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036310571 569759368 /nfs/dbraw/zinc/75/93/68/569759368.db2.gz JLPRDZFJQOVOQQ-CUNXSJBXSA-N 1 1 492.664 4.541 50 0 JJAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036310781 569759457 /nfs/dbraw/zinc/75/94/57/569759457.db2.gz NWRZMBSBBHLFBN-PXDATVDWSA-N 1 1 454.659 4.919 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036312151 569760128 /nfs/dbraw/zinc/76/01/28/569760128.db2.gz KRSFZUBRKJJWSF-IBGZPJMESA-N 1 1 450.558 4.673 50 0 JJAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312955 569760411 /nfs/dbraw/zinc/76/04/11/569760411.db2.gz NJYHDSZVSJSJAV-RPBOFIJWSA-N 1 1 461.606 4.526 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312986 569760429 /nfs/dbraw/zinc/76/04/29/569760429.db2.gz PAZKPWAKTIEJQZ-JOCHJYFZSA-N 1 1 453.583 4.713 50 0 JJAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312986 569760430 /nfs/dbraw/zinc/76/04/30/569760430.db2.gz PAZKPWAKTIEJQZ-JOCHJYFZSA-N 1 1 453.583 4.713 50 0 JJAAMO COc1ccc(OC[C@@H](O)C[N@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036313045 569760594 /nfs/dbraw/zinc/76/05/94/569760594.db2.gz JMBHHZUIUSTAAJ-DEOSSOPVSA-N 1 1 491.632 4.992 50 0 JJAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313799 569761162 /nfs/dbraw/zinc/76/11/62/569761162.db2.gz WKONWJWEWNAHPJ-QFIPXVFZSA-N 1 1 467.610 4.888 50 0 JJAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316068 569762006 /nfs/dbraw/zinc/76/20/06/569762006.db2.gz AVPVLOZXCKHZIA-AHWVRZQESA-N 1 1 493.648 4.955 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036316480 569763025 /nfs/dbraw/zinc/76/30/25/569763025.db2.gz APRGMQIRNCHSDP-NRFANRHFSA-N 1 1 455.574 4.976 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341094 569764301 /nfs/dbraw/zinc/76/43/01/569764301.db2.gz ZZALIIXHNNHZJH-JPYJTQIMSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036341094 569764303 /nfs/dbraw/zinc/76/43/03/569764303.db2.gz ZZALIIXHNNHZJH-JPYJTQIMSA-N 1 1 488.415 4.946 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341580 569764676 /nfs/dbraw/zinc/76/46/76/569764676.db2.gz HBAGYLFVMNEBNL-GDLZYMKVSA-N 1 1 466.629 4.799 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000036341992 569765079 /nfs/dbraw/zinc/76/50/79/569765079.db2.gz PXXOSACPAXYLMW-OFNKIYASSA-N 1 1 467.610 4.980 50 0 JJAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342101 569765461 /nfs/dbraw/zinc/76/54/61/569765461.db2.gz YESMBIJZLBPBSM-VWNXMTODSA-N 1 1 453.558 4.864 50 0 JJAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342101 569765462 /nfs/dbraw/zinc/76/54/62/569765462.db2.gz YESMBIJZLBPBSM-VWNXMTODSA-N 1 1 453.558 4.864 50 0 JJAAMO Cc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343674 569766549 /nfs/dbraw/zinc/76/65/49/569766549.db2.gz UEFHZLNCHQGQMA-MUUNZHRXSA-N 1 1 470.592 4.630 50 0 JJAAMO Cc1ccc(C)c([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344590 569767010 /nfs/dbraw/zinc/76/70/10/569767010.db2.gz HOMIPIQLUOAFEP-LJAQVGFWSA-N 1 1 466.629 4.799 50 0 JJAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2cc(C)ccc2C)C1 ZINC000036344681 569767276 /nfs/dbraw/zinc/76/72/76/569767276.db2.gz LZZUILYWMBEHAO-GDLZYMKVSA-N 1 1 496.655 4.808 50 0 JJAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344760 569767290 /nfs/dbraw/zinc/76/72/90/569767290.db2.gz YIHAJAMBLIYCKM-NDEPHWFRSA-N 1 1 470.592 4.630 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344607 569767310 /nfs/dbraw/zinc/76/73/10/569767310.db2.gz QSLZHBRPLACINY-OZXSUGGESA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344607 569767311 /nfs/dbraw/zinc/76/73/11/569767311.db2.gz QSLZHBRPLACINY-OZXSUGGESA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345819 569768261 /nfs/dbraw/zinc/76/82/61/569768261.db2.gz LCLODVOIEILTMH-QFIPXVFZSA-N 1 1 455.574 4.974 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036345994 569768784 /nfs/dbraw/zinc/76/87/84/569768784.db2.gz HGLHYHGNWMBPNV-HSZRJFAPSA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC(C)C ZINC000036345994 569768785 /nfs/dbraw/zinc/76/87/85/569768785.db2.gz HGLHYHGNWMBPNV-HSZRJFAPSA-N 1 1 485.600 4.594 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346238 569769265 /nfs/dbraw/zinc/76/92/65/569769265.db2.gz GPRGZWPODRIBEO-QHCPKHFHSA-N 1 1 455.574 4.968 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346591 569770157 /nfs/dbraw/zinc/77/01/57/569770157.db2.gz CIXCXNLBYMKIRG-OAQYLSRUSA-N 1 1 459.537 4.859 50 0 JJAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036346559 569770188 /nfs/dbraw/zinc/77/01/88/569770188.db2.gz HZFRMNIPCQEKSQ-UTKZUKDTSA-N 1 1 459.537 4.859 50 0 JJAAMO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)CO4)cc1 ZINC000036569713 569776623 /nfs/dbraw/zinc/77/66/23/569776623.db2.gz DUNRUTJASQTNJK-PXDATVDWSA-N 1 1 460.574 4.885 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@H+]5CCCC[C@H]35)CO4)c2=O)cc1OC ZINC000036584660 569776985 /nfs/dbraw/zinc/77/69/85/569776985.db2.gz LCHPQVANSHXVPE-HYBUGGRVSA-N 1 1 490.600 4.894 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000037384348 569785583 /nfs/dbraw/zinc/78/55/83/569785583.db2.gz SSIWCNZKZVFPGK-UHFFFAOYSA-N 1 1 475.618 4.512 50 0 JJAAMO COc1cc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037572222 569795833 /nfs/dbraw/zinc/79/58/33/569795833.db2.gz KAEHNKHMGGYPSK-UHFFFAOYSA-N 1 1 480.630 4.872 50 0 JJAAMO COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c1OC ZINC000038546521 569803168 /nfs/dbraw/zinc/80/31/68/569803168.db2.gz CNEXOOCFVHHAOR-DEOSSOPVSA-N 1 1 495.645 4.826 50 0 JJAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc(F)cc2)CC1 ZINC000038546499 569803272 /nfs/dbraw/zinc/80/32/72/569803272.db2.gz AUUQOCDPYZBRFR-HSZRJFAPSA-N 1 1 453.583 4.948 50 0 JJAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546520 569803294 /nfs/dbraw/zinc/80/32/94/569803294.db2.gz XJKGTZXWQFTBHO-XMMPIXPASA-N 1 1 479.602 4.538 50 0 JJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CC[NH+](Cc6ccccc6)CC5)C4=O)cc3)sc2c1 ZINC000102044361 569809200 /nfs/dbraw/zinc/80/92/00/569809200.db2.gz RXKNKNGWOZEYSX-RUZDIDTESA-N 1 1 496.636 4.721 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccs1)Sc1ccccc1-2 ZINC000039360232 569809501 /nfs/dbraw/zinc/80/95/01/569809501.db2.gz GZQIVYVSTZMHSP-MHECFPHRSA-N 1 1 479.671 4.811 50 0 JJAAMO Cc1cc(=O)c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000039445284 569809974 /nfs/dbraw/zinc/80/99/74/569809974.db2.gz LSNPKBWELAYNGL-MHECFPHRSA-N 1 1 479.671 4.669 50 0 JJAAMO O=C1NC2(CCCCCC2)C(=O)N1CN1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000040061159 569815360 /nfs/dbraw/zinc/81/53/60/569815360.db2.gz HGUVLMQBYIJEQD-UHFFFAOYSA-N 1 1 487.069 4.788 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355475 569823917 /nfs/dbraw/zinc/82/39/17/569823917.db2.gz TUIHLTGLCBKKPF-ZDUSSCGKSA-N 1 1 455.411 4.697 50 0 JJAAMO CC[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000104452777 569845777 /nfs/dbraw/zinc/84/57/77/569845777.db2.gz GQKLYLYPZABQGU-QDPGVEIFSA-N 1 1 459.590 4.668 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982899 569848102 /nfs/dbraw/zinc/84/81/02/569848102.db2.gz HQCFRKHXPZRMPJ-FCHUYYIVSA-N 1 1 451.394 4.775 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984374 569848374 /nfs/dbraw/zinc/84/83/74/569848374.db2.gz BIGGIJGOPQQQFP-FGZHOGPDSA-N 1 1 479.404 4.693 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985350 569848787 /nfs/dbraw/zinc/84/87/87/569848787.db2.gz HNZDGXOLOFUZKZ-JWQCQUIFSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985350 569848789 /nfs/dbraw/zinc/84/87/89/569848789.db2.gz HNZDGXOLOFUZKZ-JWQCQUIFSA-N 1 1 466.528 4.708 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984638 569848826 /nfs/dbraw/zinc/84/88/26/569848826.db2.gz XOYBHBJCMBJACM-ILBGXUMGSA-N 1 1 450.966 4.775 50 0 JJAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007289 569849829 /nfs/dbraw/zinc/84/98/29/569849829.db2.gz AVPVLOZXCKHZIA-RSXGOPAZSA-N 1 1 493.648 4.955 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007776 569850151 /nfs/dbraw/zinc/85/01/51/569850151.db2.gz ZHQUDQWQQBXNHP-PXDATVDWSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2Cl)C1 ZINC000105007776 569850152 /nfs/dbraw/zinc/85/01/52/569850152.db2.gz ZHQUDQWQQBXNHP-PXDATVDWSA-N 1 1 482.024 4.910 50 0 JJAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000105012933 569851207 /nfs/dbraw/zinc/85/12/07/569851207.db2.gz HZFRMNIPCQEKSQ-DYESRHJHSA-N 1 1 459.537 4.859 50 0 JJAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677907 569869021 /nfs/dbraw/zinc/86/90/21/569869021.db2.gz FJFFUYYYIDLHJM-UPVQGACJSA-N 1 1 459.556 4.731 50 0 JJAAMO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)c1ccccc1 ZINC000169679050 569869385 /nfs/dbraw/zinc/86/93/85/569869385.db2.gz GMFOZEQPUZPABD-JWQCQUIFSA-N 1 1 478.658 4.925 50 0 JJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)c1ccccc1 ZINC000169679050 569869386 /nfs/dbraw/zinc/86/93/86/569869386.db2.gz GMFOZEQPUZPABD-JWQCQUIFSA-N 1 1 478.658 4.925 50 0 JJAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@@H](O)COCc1ccco1 ZINC000169679470 569869706 /nfs/dbraw/zinc/86/97/06/569869706.db2.gz SEOVLNBHXLYQKU-RBBKRZOGSA-N 1 1 455.599 4.957 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680052 569870122 /nfs/dbraw/zinc/87/01/22/569870122.db2.gz XJNCLNOQQDUOSG-ZEQKJWHPSA-N 1 1 480.992 4.784 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680052 569870123 /nfs/dbraw/zinc/87/01/23/569870123.db2.gz XJNCLNOQQDUOSG-ZEQKJWHPSA-N 1 1 480.992 4.784 50 0 JJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000230007592 570043409 /nfs/dbraw/zinc/04/34/09/570043409.db2.gz DJMFSEKRFSDDHX-QLCOJLISSA-N 1 1 458.558 4.875 50 0 JJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000230007592 570043411 /nfs/dbraw/zinc/04/34/11/570043411.db2.gz DJMFSEKRFSDDHX-QLCOJLISSA-N 1 1 458.558 4.875 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000230066586 570044221 /nfs/dbraw/zinc/04/42/21/570044221.db2.gz ZONPMJINROAUIX-NSOVKSMOSA-N 1 1 485.628 4.634 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228587 570055723 /nfs/dbraw/zinc/05/57/23/570055723.db2.gz UVCLAYHRSLJRSQ-PWUYWRBVSA-N 1 1 478.681 4.959 50 0 JJAAMO CC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327406 570065280 /nfs/dbraw/zinc/06/52/80/570065280.db2.gz IYPMEVAZYMZVCI-NZQKXSOJSA-N 1 1 462.631 4.511 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000245329992 570066533 /nfs/dbraw/zinc/06/65/33/570066533.db2.gz WJOQGJXXVVBICH-AFMDSPMNSA-N 1 1 494.060 4.722 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000245329992 570066534 /nfs/dbraw/zinc/06/65/34/570066534.db2.gz WJOQGJXXVVBICH-AFMDSPMNSA-N 1 1 494.060 4.722 50 0 JJAAMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1 ZINC000247473674 570068369 /nfs/dbraw/zinc/06/83/69/570068369.db2.gz GKQVQBIPLMADHT-UHFFFAOYSA-N 1 1 456.565 4.736 50 0 JJAAMO CCCN(CCC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000247886505 570070521 /nfs/dbraw/zinc/07/05/21/570070521.db2.gz KXVDYRSYRZTVIP-HSZRJFAPSA-N 1 1 462.638 4.954 50 0 JJAAMO CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988979 570072258 /nfs/dbraw/zinc/07/22/58/570072258.db2.gz LBMJPPGWFMQJEY-SFHVURJKSA-N 1 1 469.427 4.867 50 0 JJAAMO CC(C)n1c(C[NH+]2CCC(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)CC2)nc2ccccc21 ZINC000248004434 570072383 /nfs/dbraw/zinc/07/23/83/570072383.db2.gz PAIMWYJLBBAHDP-UHFFFAOYSA-N 1 1 498.046 4.971 50 0 JJAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000247994477 570072446 /nfs/dbraw/zinc/07/24/46/570072446.db2.gz CGWGCMAVZSROKA-YTMVLYRLSA-N 1 1 450.586 4.651 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000248031427 570073000 /nfs/dbraw/zinc/07/30/00/570073000.db2.gz XOPRWUDERYUUKU-UHFFFAOYSA-N 1 1 480.056 4.831 50 0 JJAAMO CCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)cc1 ZINC000248168142 570075984 /nfs/dbraw/zinc/07/59/84/570075984.db2.gz PRXZHWNTFCQGRL-UHFFFAOYSA-N 1 1 473.665 4.740 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248256162 570076891 /nfs/dbraw/zinc/07/68/91/570076891.db2.gz KXPQUHHNPNEABT-NDBXHCKUSA-N 1 1 450.538 4.970 50 0 JJAAMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248251117 570076959 /nfs/dbraw/zinc/07/69/59/570076959.db2.gz SJFBFNNICFFPRO-GOSISDBHSA-N 1 1 469.427 4.916 50 0 JJAAMO CCCCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000248273856 570077449 /nfs/dbraw/zinc/07/74/49/570077449.db2.gz XJUSFFHBGJZKAQ-QHCPKHFHSA-N 1 1 462.638 4.954 50 0 JJAAMO CCn1c(C[NH+]2CCC(C(=O)N3CCN(c4ccc(C(C)C)cc4)CC3)CC2)nc2ccccc21 ZINC000253607337 570104261 /nfs/dbraw/zinc/10/42/61/570104261.db2.gz MUPRRYUMRCWMPA-UHFFFAOYSA-N 1 1 473.665 4.740 50 0 JJAAMO Cc1c(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)sc2ncnc(NCc3ccco3)c12 ZINC000299764081 570175089 /nfs/dbraw/zinc/17/50/89/570175089.db2.gz KDVQXHFDCUYYBQ-UHFFFAOYSA-N 1 1 487.629 4.868 50 0 JJAAMO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000299766520 570175330 /nfs/dbraw/zinc/17/53/30/570175330.db2.gz JMOBASJMPCGTLB-HVIPQOSHSA-N 1 1 497.683 4.882 50 0 JJAAMO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000299766529 570175372 /nfs/dbraw/zinc/17/53/72/570175372.db2.gz JMOBASJMPCGTLB-XYFQYJLHSA-N 1 1 497.683 4.882 50 0 JJAAMO Cc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1 ZINC000299785311 570176604 /nfs/dbraw/zinc/17/66/04/570176604.db2.gz XWOSAWITUFTTSJ-WIOPSUGQSA-N 1 1 456.030 4.590 50 0 JJAAMO Cc1ccc(NC(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]2[NH+]2CCOCC2)cc1 ZINC000299785311 570176605 /nfs/dbraw/zinc/17/66/05/570176605.db2.gz XWOSAWITUFTTSJ-WIOPSUGQSA-N 1 1 456.030 4.590 50 0 JJAAMO COc1cccc2c1OCCC[N@H+](C1CCN(c3cccc(NC(=O)c4cccnc4)c3)CC1)C2 ZINC000299787865 570176774 /nfs/dbraw/zinc/17/67/74/570176774.db2.gz YIPDXYPFTFZURY-UHFFFAOYSA-N 1 1 472.589 4.596 50 0 JJAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000001447553 194122760 /nfs/dbraw/zinc/12/27/60/194122760.db2.gz XMBYJBFKQITXES-UHFFFAOYSA-N 1 1 465.479 4.808 50 0 JJAAMO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)NCCC3=CCCCC3)CC23CCCCC3)cc1 ZINC000002944250 194175826 /nfs/dbraw/zinc/17/58/26/194175826.db2.gz OZOBBRUCLYIPRA-UHFFFAOYSA-N 1 1 482.738 4.697 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(N3CCN(C(C)=O)CC3)cc2)n1 ZINC000012607844 195052503 /nfs/dbraw/zinc/05/25/03/195052503.db2.gz VVCYONJAULYIGC-UHFFFAOYSA-N 1 1 467.639 4.611 50 0 JJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3o2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012632864 195064750 /nfs/dbraw/zinc/06/47/50/195064750.db2.gz OQNSDTVUIHWOQO-UHFFFAOYSA-N 1 1 488.510 4.501 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000012662532 195081558 /nfs/dbraw/zinc/08/15/58/195081558.db2.gz BACBBWRARCHFCT-CJPRTRIKSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000012662532 195081561 /nfs/dbraw/zinc/08/15/61/195081561.db2.gz BACBBWRARCHFCT-CJPRTRIKSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO COc1ccc([C@H](CNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)[NH+](C)C)cc1 ZINC000012757989 195109365 /nfs/dbraw/zinc/10/93/65/195109365.db2.gz BYOYOJPLJAPMLO-DEOSSOPVSA-N 1 1 456.542 4.810 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000012768359 195115671 /nfs/dbraw/zinc/11/56/71/195115671.db2.gz PHVOSCWEVLKJHC-KRWDZBQOSA-N 1 1 461.031 4.735 50 0 JJAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)C1 ZINC000012772982 195118958 /nfs/dbraw/zinc/11/89/58/195118958.db2.gz OELOUXSZYWPKDL-LJQANCHMSA-N 1 1 451.596 4.517 50 0 JJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)c2cccs2)cc1 ZINC000012807850 195142819 /nfs/dbraw/zinc/14/28/19/195142819.db2.gz AJWXUWUMVBNYAC-AREMUKBSSA-N 1 1 473.598 4.922 50 0 JJAAMO CN(C(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1)c1ccccc1C(=O)NCc1ccco1 ZINC000012807840 195142856 /nfs/dbraw/zinc/14/28/56/195142856.db2.gz IEWHVLJMZQVOIZ-RUZDIDTESA-N 1 1 459.571 4.613 50 0 JJAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Br ZINC000012810610 195143946 /nfs/dbraw/zinc/14/39/46/195143946.db2.gz IOCRGWCMSNVOIC-MRXNPFEDSA-N 1 1 452.352 4.991 50 0 JJAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000012855237 195157024 /nfs/dbraw/zinc/15/70/24/195157024.db2.gz IYSIERDYBXSYIS-QFIPXVFZSA-N 1 1 488.009 4.691 50 0 JJAAMO COc1cc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc(OC)c1Br ZINC000012883604 195169726 /nfs/dbraw/zinc/16/97/26/195169726.db2.gz DPHQUTCUDHQEIH-BETUJISGSA-N 1 1 468.417 4.653 50 0 JJAAMO COc1cc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc(OC)c1Br ZINC000012883604 195169727 /nfs/dbraw/zinc/16/97/27/195169727.db2.gz DPHQUTCUDHQEIH-BETUJISGSA-N 1 1 468.417 4.653 50 0 JJAAMO O=C(c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020728559 195208895 /nfs/dbraw/zinc/20/88/95/195208895.db2.gz WMZJQFNVGCFYCX-XIEYBQDHSA-N 1 1 455.583 4.730 50 0 JJAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020827286 195229593 /nfs/dbraw/zinc/22/95/93/195229593.db2.gz IOEJIXHNBKEKFH-UHFFFAOYSA-N 1 1 491.638 4.579 50 0 JJAAMO COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020827286 195229596 /nfs/dbraw/zinc/22/95/96/195229596.db2.gz IOEJIXHNBKEKFH-UHFFFAOYSA-N 1 1 491.638 4.579 50 0 JJAAMO CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020761231 195218029 /nfs/dbraw/zinc/21/80/29/195218029.db2.gz KAKZUBPQLJHKMW-UHFFFAOYSA-N 1 1 473.617 4.765 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000020920100 195247414 /nfs/dbraw/zinc/24/74/14/195247414.db2.gz UJUYCDQYUGUYKD-HVKFLMNHSA-N 1 1 482.669 4.780 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000020920106 195247430 /nfs/dbraw/zinc/24/74/30/195247430.db2.gz UJUYCDQYUGUYKD-CBIUGAAKSA-N 1 1 482.669 4.780 50 0 JJAAMO COc1cc(OC)c(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1Cl ZINC000020927225 195249378 /nfs/dbraw/zinc/24/93/78/195249378.db2.gz PGJJCOZQNVIXSZ-UHFFFAOYSA-N 1 1 460.987 4.519 50 0 JJAAMO Cc1cc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)ccc1Br ZINC000020927354 195249669 /nfs/dbraw/zinc/24/96/69/195249669.db2.gz DCGPGZSNTLUYKB-UHFFFAOYSA-N 1 1 459.413 4.919 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526691 195305086 /nfs/dbraw/zinc/30/50/86/195305086.db2.gz GANQGTIVFYPHNC-DCFHFQCYSA-N 1 1 468.642 4.552 50 0 JJAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000021808717 195324021 /nfs/dbraw/zinc/32/40/21/195324021.db2.gz AOHCRGBTPUFLDL-SVNFYYFLSA-N 1 1 484.710 4.877 50 0 JJAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CC[N@@H+](C)C2CCCCC2)CC1 ZINC000021808736 195324312 /nfs/dbraw/zinc/32/43/12/195324312.db2.gz UYOHYYXUXABTDA-IRQSHYTFSA-N 1 1 484.710 4.877 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916276 195332261 /nfs/dbraw/zinc/33/22/61/195332261.db2.gz JIPVBZIIPNJSSZ-JOCHJYFZSA-N 1 1 462.638 4.985 50 0 JJAAMO Cc1ccc2c(c1)OC[C@H](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)N2Cc1ccc(F)cc1 ZINC000096323009 130067404 /nfs/dbraw/zinc/06/74/04/130067404.db2.gz NDLDSZDJXKDQTF-SANMLTNESA-N 1 1 473.592 4.636 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308301 519757603 /nfs/dbraw/zinc/75/76/03/519757603.db2.gz ZVMZHNFDDRTYME-RSXGOPAZSA-N 1 1 493.648 4.894 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146034 519771630 /nfs/dbraw/zinc/77/16/30/519771630.db2.gz PBUHDAYBEHVKPZ-PMACEKPBSA-N 1 1 451.394 4.775 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307088 519771841 /nfs/dbraw/zinc/77/18/41/519771841.db2.gz VMTAMEVBMHPTFF-QFIPXVFZSA-N 1 1 453.558 4.769 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302660 520095345 /nfs/dbraw/zinc/09/53/45/520095345.db2.gz UTGOIUOSITWVEN-QHCPKHFHSA-N 1 1 479.621 4.845 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036303261 520096549 /nfs/dbraw/zinc/09/65/49/520096549.db2.gz QHUDANASTXZVHR-ZCYQVOJMSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036303261 520096558 /nfs/dbraw/zinc/09/65/58/520096558.db2.gz QHUDANASTXZVHR-ZCYQVOJMSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC(=O)C1=C(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412497 520520594 /nfs/dbraw/zinc/52/05/94/520520594.db2.gz XDRMFTDUKASQOT-AMIYKVBISA-N 1 1 465.638 4.669 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccc(OC)cc32)C1 ZINC000036102798 521121047 /nfs/dbraw/zinc/12/10/47/521121047.db2.gz AERSTIRWFNETPO-LJQANCHMSA-N 1 1 462.546 4.653 50 0 JJAAMO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014753531 521528007 /nfs/dbraw/zinc/52/80/07/521528007.db2.gz VUXIKXGOLRABCJ-JWGURIENSA-N 1 1 467.997 4.594 50 0 JJAAMO CCCc1nc2sc3c(nc(SC)nc3NCCC[NH+]3CCOCC3)c2c2c1CCC2 ZINC000020358359 521544652 /nfs/dbraw/zinc/54/46/52/521544652.db2.gz CABDCNBDQTUZSH-UHFFFAOYSA-N 1 1 457.669 4.537 50 0 JJAAMO CCC[NH+](CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000004099341 521647294 /nfs/dbraw/zinc/64/72/94/521647294.db2.gz DJAFUYUUNCOPGL-UHFFFAOYSA-N 1 1 461.050 4.754 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000013629962 521654792 /nfs/dbraw/zinc/65/47/92/521654792.db2.gz FQTZYOKHLJMFOB-IBGZPJMESA-N 1 1 462.521 4.797 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036306234 521678100 /nfs/dbraw/zinc/67/81/00/521678100.db2.gz MQHSDKJMMCLRBC-JOCHJYFZSA-N 1 1 467.610 4.886 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036303898 521679295 /nfs/dbraw/zinc/67/92/95/521679295.db2.gz WEDLEBXYTBNDPK-HSZRJFAPSA-N 1 1 467.610 4.980 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000020386435 521724462 /nfs/dbraw/zinc/72/44/62/521724462.db2.gz CPRHYAMRLGSPBZ-INIZCTEOSA-N 1 1 454.596 4.817 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036303285 522639212 /nfs/dbraw/zinc/63/92/12/522639212.db2.gz JVNWGMHXEWZVIB-XMMPIXPASA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036303285 522639220 /nfs/dbraw/zinc/63/92/20/522639220.db2.gz JVNWGMHXEWZVIB-XMMPIXPASA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036302911 522639825 /nfs/dbraw/zinc/63/98/25/522639825.db2.gz CKKYRTJLFGIZST-QHCPKHFHSA-N 1 1 481.637 4.851 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036302911 522639836 /nfs/dbraw/zinc/63/98/36/522639836.db2.gz CKKYRTJLFGIZST-QHCPKHFHSA-N 1 1 481.637 4.851 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036302752 522643016 /nfs/dbraw/zinc/64/30/16/522643016.db2.gz MFLBPHRPILDXOV-QHCPKHFHSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036302752 522643025 /nfs/dbraw/zinc/64/30/25/522643025.db2.gz MFLBPHRPILDXOV-QHCPKHFHSA-N 1 1 479.621 4.986 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)Cc1ccccc1 ZINC000021864144 522744333 /nfs/dbraw/zinc/74/43/33/522744333.db2.gz KPMIROWAHZZCQL-LJAQVGFWSA-N 1 1 488.632 4.544 50 0 JJAAMO COc1cc(OC)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326672 522810277 /nfs/dbraw/zinc/81/02/77/522810277.db2.gz SGTAXCSCYHYPBG-UHFFFAOYSA-N 1 1 456.934 4.909 50 0 JJAAMO COc1cc(OC)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1Cl ZINC000033326672 522810283 /nfs/dbraw/zinc/81/02/83/522810283.db2.gz SGTAXCSCYHYPBG-UHFFFAOYSA-N 1 1 456.934 4.909 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370986 523107187 /nfs/dbraw/zinc/10/71/87/523107187.db2.gz NFAWVCDHKYVBKD-LAUBAEHRSA-N 1 1 488.510 4.845 50 0 JJAAMO COCCCN1C(=O)c2cccc(N3CC[NH+](Cc4ccc(-c5cccc(Cl)c5)o4)CC3)c2C1=O ZINC000014881555 523295581 /nfs/dbraw/zinc/29/55/81/523295581.db2.gz CSTKJXQNKLIYBV-UHFFFAOYSA-N 1 1 493.991 4.555 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000036305073 523734555 /nfs/dbraw/zinc/73/45/55/523734555.db2.gz AMQGMVLYXDASKB-QFIPXVFZSA-N 1 1 488.028 4.767 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)C ZINC000036304950 523735488 /nfs/dbraw/zinc/73/54/88/523735488.db2.gz UFNSEYAARKUABD-OAQYLSRUSA-N 1 1 488.028 4.767 50 0 JJAAMO COCC[N@@H+](Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1c(F)cccc1Cl)C(C)C ZINC000014888691 523753919 /nfs/dbraw/zinc/75/39/19/523753919.db2.gz YVPFIAWYZHXIAM-UHFFFAOYSA-N 1 1 493.988 4.985 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(F)c1 ZINC000036312159 523940271 /nfs/dbraw/zinc/94/02/71/523940271.db2.gz PWDIWWGEJLZRNM-SFHVURJKSA-N 1 1 468.548 4.813 50 0 JJAAMO COc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)cc1OC ZINC000004099414 523966223 /nfs/dbraw/zinc/96/62/23/523966223.db2.gz XKASPWGJHVQHDB-OAQYLSRUSA-N 1 1 498.023 4.892 50 0 JJAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096034 524014096 /nfs/dbraw/zinc/01/40/96/524014096.db2.gz YVBNSINDDSRMFD-JOCHJYFZSA-N 1 1 459.945 4.938 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002170 524113742 /nfs/dbraw/zinc/11/37/42/524113742.db2.gz TYVWTCZAHDHAJW-OAQYLSRUSA-N 1 1 492.067 4.819 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COCC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305840 524695125 /nfs/dbraw/zinc/69/51/25/524695125.db2.gz SNZFXKRWAAJFDT-QHCPKHFHSA-N 1 1 479.621 4.886 50 0 JJAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036309459 524758425 /nfs/dbraw/zinc/75/84/25/524758425.db2.gz QJWASZDUTMMKQO-SHQCIBLASA-N 1 1 492.685 4.875 50 0 JJAAMO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036309460 524765843 /nfs/dbraw/zinc/76/58/43/524765843.db2.gz QJWASZDUTMMKQO-SQHAQQRYSA-N 1 1 492.685 4.875 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000002437694 525396645 /nfs/dbraw/zinc/39/66/45/525396645.db2.gz WDASHXICNSHRRO-SVBPBHIXSA-N 1 1 482.540 4.825 50 0 JJAAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2ccc3c(c12)C(=O)C[C@@](C)(c1ccc(Cl)cc1)O3 ZINC000020417998 525610612 /nfs/dbraw/zinc/61/06/12/525610612.db2.gz IDLFWFREDKDZHD-MHZLTWQESA-N 1 1 496.991 4.727 50 0 JJAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(Cc2cn(C)nc2C)C3)s1 ZINC000014994220 525739802 /nfs/dbraw/zinc/73/98/02/525739802.db2.gz CMBILEFVNDMYDC-OAQYLSRUSA-N 1 1 480.678 4.881 50 0 JJAAMO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000022698104 525784335 /nfs/dbraw/zinc/78/43/35/525784335.db2.gz PXLRGBVAROHVFL-LJAQVGFWSA-N 1 1 498.602 4.665 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1C ZINC000036205206 525784572 /nfs/dbraw/zinc/78/45/72/525784572.db2.gz CRDLFRYBGOBDOX-OAQYLSRUSA-N 1 1 471.667 4.760 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1C ZINC000036205206 525784582 /nfs/dbraw/zinc/78/45/82/525784582.db2.gz CRDLFRYBGOBDOX-OAQYLSRUSA-N 1 1 471.667 4.760 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000033139720 525827593 /nfs/dbraw/zinc/82/75/93/525827593.db2.gz JLAZVVXXOYMVBC-UHFFFAOYSA-N 1 1 474.996 4.910 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)cc1 ZINC000033139743 525827654 /nfs/dbraw/zinc/82/76/54/525827654.db2.gz RKFJXAQPTXTGMI-UHFFFAOYSA-N 1 1 476.531 4.535 50 0 JJAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)Cc3ccccc3)n2)cc1Cl ZINC000036147546 525877906 /nfs/dbraw/zinc/87/79/06/525877906.db2.gz MUCKMUWHYFDMFZ-NRFANRHFSA-N 1 1 451.954 4.940 50 0 JJAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1Cl ZINC000036147543 525878691 /nfs/dbraw/zinc/87/86/91/525878691.db2.gz MUCKMUWHYFDMFZ-OAQYLSRUSA-N 1 1 451.954 4.940 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000014989592 525965076 /nfs/dbraw/zinc/96/50/76/525965076.db2.gz FOPIKYIOQXRADI-QFIPXVFZSA-N 1 1 498.656 4.971 50 0 JJAAMO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CCC4)c(NCCC[NH+]2CCOCC2)n1 ZINC000020391090 526216743 /nfs/dbraw/zinc/21/67/43/526216743.db2.gz ZFDNLHITDPSUJL-UHFFFAOYSA-N 1 1 457.669 4.708 50 0 JJAAMO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CCC4)c(NCCC[NH+]2CCOCC2)n1 ZINC000020441997 526216973 /nfs/dbraw/zinc/21/69/73/526216973.db2.gz CYSZKNJQAPSPPL-UHFFFAOYSA-N 1 1 471.696 4.783 50 0 JJAAMO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303846 526241734 /nfs/dbraw/zinc/24/17/34/526241734.db2.gz LAUACMVSQZGQAS-HSZRJFAPSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303846 526241738 /nfs/dbraw/zinc/24/17/38/526241738.db2.gz LAUACMVSQZGQAS-HSZRJFAPSA-N 1 1 465.594 4.732 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147158 526284966 /nfs/dbraw/zinc/28/49/66/526284966.db2.gz FCLDFVNKIDREPH-UPVQGACJSA-N 1 1 454.954 4.506 50 0 JJAAMO Cc1coc2c1cc1c(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc1c2C ZINC000020427615 526292168 /nfs/dbraw/zinc/29/21/68/526292168.db2.gz WVFXEJCGHUKBBC-UHFFFAOYSA-N 1 1 458.558 4.741 50 0 JJAAMO O=C(C1CCCCC1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020449602 526298685 /nfs/dbraw/zinc/29/86/85/526298685.db2.gz KESKPTDHECZWNA-HHHXNRCGSA-N 1 1 490.692 4.597 50 0 JJAAMO Cc1nonc1CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cc(C)ccc1C ZINC000014979567 526701821 /nfs/dbraw/zinc/70/18/21/526701821.db2.gz BNKOBOQMVLPMSI-VWNXMTODSA-N 1 1 468.598 4.528 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035488910 526729667 /nfs/dbraw/zinc/72/96/67/526729667.db2.gz GMFSZWFKYGVOPH-UWQCJCJPSA-N 1 1 486.955 4.977 50 0 JJAAMO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012246487 526993626 /nfs/dbraw/zinc/99/36/26/526993626.db2.gz SDQJFYCIWSKRNG-QGZVFWFLSA-N 1 1 450.892 4.906 50 0 JJAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021795782 527005100 /nfs/dbraw/zinc/00/51/00/527005100.db2.gz BFVBNXHBTXDHSA-UHFFFAOYSA-N 1 1 488.411 4.692 50 0 JJAAMO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c2n1 ZINC000000974209 553888364 /nfs/dbraw/zinc/88/83/64/553888364.db2.gz VGDAQBDEZHYPBP-UZLBHIALSA-N 1 1 470.520 4.764 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000002216911 554098241 /nfs/dbraw/zinc/09/82/41/554098241.db2.gz BZTQSRGZOHJCHV-UIOOFZCWSA-N 1 1 470.504 4.956 50 0 JJAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1OC ZINC000002372619 554171511 /nfs/dbraw/zinc/17/15/11/554171511.db2.gz NXOCRZJCCWHWRP-KAYWLYCHSA-N 1 1 482.540 4.907 50 0 JJAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1OC ZINC000002372616 554171560 /nfs/dbraw/zinc/17/15/60/554171560.db2.gz NXOCRZJCCWHWRP-SXOMAYOGSA-N 1 1 482.540 4.907 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000002404720 554187746 /nfs/dbraw/zinc/18/77/46/554187746.db2.gz AMAFLDGMNODAAX-DNQXCXABSA-N 1 1 470.916 4.931 50 0 JJAAMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000008831731 554723536 /nfs/dbraw/zinc/72/35/36/554723536.db2.gz KDTSEUGGOZAACZ-UHFFFAOYSA-N 1 1 461.075 4.511 50 0 JJAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1)Cc1ccccc1 ZINC000008876279 554771516 /nfs/dbraw/zinc/77/15/16/554771516.db2.gz KWEHTJXOJZSCLA-UHFFFAOYSA-N 1 1 486.609 4.564 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)N3)C1 ZINC000008927665 554825191 /nfs/dbraw/zinc/82/51/91/554825191.db2.gz KVDFQQIZOKYZBV-JOCHJYFZSA-N 1 1 463.559 4.783 50 0 JJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3ccc(Br)cc3)cc2)cc1 ZINC000009053915 554873439 /nfs/dbraw/zinc/87/34/39/554873439.db2.gz VROYSMAIOCDFBL-UHFFFAOYSA-N 1 1 482.378 4.781 50 0 JJAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(Br)cc3)cc2)cc1 ZINC000009053915 554873441 /nfs/dbraw/zinc/87/34/41/554873441.db2.gz VROYSMAIOCDFBL-UHFFFAOYSA-N 1 1 482.378 4.781 50 0 JJAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1c3ccccc3ccc1[C@H]2c1ccccc1 ZINC000009209809 554979069 /nfs/dbraw/zinc/97/90/69/554979069.db2.gz XHUKYKXWQLGFMV-XMMPIXPASA-N 1 1 452.558 4.524 50 0 JJAAMO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000009228218 555001851 /nfs/dbraw/zinc/00/18/51/555001851.db2.gz WYTYUUHNQIAGOA-UHFFFAOYSA-N 1 1 469.607 5.000 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)CC1 ZINC000009265060 555040596 /nfs/dbraw/zinc/04/05/96/555040596.db2.gz IEUSDNFWWDCZFN-UHFFFAOYSA-N 1 1 483.634 4.639 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)CC1 ZINC000009265351 555041068 /nfs/dbraw/zinc/04/10/68/555041068.db2.gz CNSLIHHPVXALHK-UHFFFAOYSA-N 1 1 493.604 4.657 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)cc2)CC1 ZINC000009265399 555041307 /nfs/dbraw/zinc/04/13/07/555041307.db2.gz VDUHBVVVSXODDG-UHFFFAOYSA-N 1 1 493.604 4.657 50 0 JJAAMO C[N@@H+](C1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000009268816 555043985 /nfs/dbraw/zinc/04/39/85/555043985.db2.gz QISFJRXMKCTUJO-UHFFFAOYSA-N 1 1 477.574 4.840 50 0 JJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 ZINC000009287936 555061453 /nfs/dbraw/zinc/06/14/53/555061453.db2.gz LLFQCBUZMORBNF-XMMPIXPASA-N 1 1 456.533 4.730 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009291925 555066790 /nfs/dbraw/zinc/06/67/90/555066790.db2.gz AHASVXMLLYWGTO-ZCYQVOJMSA-N 1 1 456.477 4.647 50 0 JJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=[NH+]1)[C@H](c1cccc(Br)c1)O2 ZINC000009292419 555067838 /nfs/dbraw/zinc/06/78/38/555067838.db2.gz IBLCYIZFQUGTTK-PKTZIBPZSA-N 1 1 472.346 4.957 50 0 JJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccc(Br)c3)O2)[C@@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009292420 555067909 /nfs/dbraw/zinc/06/79/09/555067909.db2.gz IBLCYIZFQUGTTK-DHIUTWEWSA-N 1 1 472.346 4.957 50 0 JJAAMO Brc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)c1 ZINC000009309606 555085024 /nfs/dbraw/zinc/08/50/24/555085024.db2.gz PMPNBUHTEGUAMW-YADHBBJMSA-N 1 1 458.319 4.648 50 0 JJAAMO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344869 555110399 /nfs/dbraw/zinc/11/03/99/555110399.db2.gz XNJLZUVTTLNRHS-AOYPEHQESA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000009345794 555112158 /nfs/dbraw/zinc/11/21/58/555112158.db2.gz MTFYMHZOZXWHLO-JWQCQUIFSA-N 1 1 456.477 4.647 50 0 JJAAMO CCOc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(OC)c(OC)c1)N1NC=NC1=[NH+]2 ZINC000009346473 555113289 /nfs/dbraw/zinc/11/32/89/555113289.db2.gz XRJFBULXLWHWTL-KAYWLYCHSA-N 1 1 482.540 4.907 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](CCc1ccc(Cl)cc1Cl)C[C@H](O)COc1ccccc1 ZINC000013149388 555352259 /nfs/dbraw/zinc/35/22/59/555352259.db2.gz SUWIQHPKSBUVAQ-ZRZAMGCNSA-N 1 1 490.427 4.718 50 0 JJAAMO CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013164414 555364818 /nfs/dbraw/zinc/36/48/18/555364818.db2.gz FYKPXWWKIKRVGG-SANMLTNESA-N 1 1 491.582 4.653 50 0 JJAAMO Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c(C)c12 ZINC000009610302 555440366 /nfs/dbraw/zinc/44/03/66/555440366.db2.gz WWSRNBAJYCKKNU-XMMPIXPASA-N 1 1 475.681 4.989 50 0 JJAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000019890165 555529395 /nfs/dbraw/zinc/52/93/95/555529395.db2.gz AOIHFKCYHGRGKH-SANMLTNESA-N 1 1 492.616 4.629 50 0 JJAAMO CC[C@H](C)[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000013607825 555531938 /nfs/dbraw/zinc/53/19/38/555531938.db2.gz OPLRXOQFOUDZQN-CUBQBAPOSA-N 1 1 498.671 4.834 50 0 JJAAMO CC[C@@H](C)[C@H](NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 ZINC000013607822 555531988 /nfs/dbraw/zinc/53/19/88/555531988.db2.gz OPLRXOQFOUDZQN-YWEHKCAJSA-N 1 1 498.671 4.834 50 0 JJAAMO COc1cc2nc(NCCC[N@H+]3CCCC[C@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831150 555532797 /nfs/dbraw/zinc/53/27/97/555532797.db2.gz MEHXYFPTGJQQSG-GOSISDBHSA-N 1 1 460.582 4.638 50 0 JJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1OC ZINC000013616269 555536231 /nfs/dbraw/zinc/53/62/31/555536231.db2.gz MBMCTHRJTSVSOJ-RRPNLBNLSA-N 1 1 498.539 4.525 50 0 JJAAMO Cc1ccc(-c2nnc(SCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2C)cc1 ZINC000019921140 555539903 /nfs/dbraw/zinc/53/99/03/555539903.db2.gz BWHBMMVZZFHPEI-UHFFFAOYSA-N 1 1 497.668 4.816 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCC(OC)CC2)cc1 ZINC000009993601 555588467 /nfs/dbraw/zinc/58/84/67/555588467.db2.gz FTSVTRXIDFIZDF-MHZLTWQESA-N 1 1 457.574 4.637 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCC(OC)CC2)cc1 ZINC000009993603 555588488 /nfs/dbraw/zinc/58/84/88/555588488.db2.gz FTSVTRXIDFIZDF-HHHXNRCGSA-N 1 1 457.574 4.637 50 0 JJAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CCCC[N@H+]1[C@@H]2c1ccc(Br)cc1 ZINC000013749768 555608478 /nfs/dbraw/zinc/60/84/78/555608478.db2.gz CXDSWJNSKIAUTF-UAFMIMERSA-N 1 1 459.771 4.818 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000013758160 555611481 /nfs/dbraw/zinc/61/14/81/555611481.db2.gz OTSSZYWKUPHQGU-ZDJNHPEVSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000013758160 555611486 /nfs/dbraw/zinc/61/14/86/555611486.db2.gz OTSSZYWKUPHQGU-ZDJNHPEVSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013758852 555611940 /nfs/dbraw/zinc/61/19/40/555611940.db2.gz FTTAMGFTVMVPRQ-NIJXNBFTSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000013758852 555611942 /nfs/dbraw/zinc/61/19/42/555611942.db2.gz FTTAMGFTVMVPRQ-NIJXNBFTSA-N 1 1 458.986 4.664 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214704 555710709 /nfs/dbraw/zinc/71/07/09/555710709.db2.gz CHRLPANLJDNDDV-VWLOTQADSA-N 1 1 481.593 4.683 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214704 555710711 /nfs/dbraw/zinc/71/07/11/555710711.db2.gz CHRLPANLJDNDDV-VWLOTQADSA-N 1 1 481.593 4.683 50 0 JJAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214704 555710712 /nfs/dbraw/zinc/71/07/12/555710712.db2.gz CHRLPANLJDNDDV-VWLOTQADSA-N 1 1 481.593 4.683 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214704 555710716 /nfs/dbraw/zinc/71/07/16/555710716.db2.gz CHRLPANLJDNDDV-VWLOTQADSA-N 1 1 481.593 4.683 50 0 JJAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000020247623 555742107 /nfs/dbraw/zinc/74/21/07/555742107.db2.gz TXEJNLHHPQTBED-UHFFFAOYSA-N 1 1 467.569 4.877 50 0 JJAAMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000014241000 555742141 /nfs/dbraw/zinc/74/21/41/555742141.db2.gz BLWWTQSIFCHOJA-BWKNWUBXSA-N 1 1 454.567 4.947 50 0 JJAAMO CC(C)CNC(=O)c1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000014259480 555757038 /nfs/dbraw/zinc/75/70/38/555757038.db2.gz QKBBTCJNXPYGNU-UHFFFAOYSA-N 1 1 450.608 4.500 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020532249 555801212 /nfs/dbraw/zinc/80/12/12/555801212.db2.gz ZTLMQFRQKFXQPX-MRXNPFEDSA-N 1 1 452.580 4.571 50 0 JJAAMO COc1cc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1OC ZINC000015000463 555845152 /nfs/dbraw/zinc/84/51/52/555845152.db2.gz HAHFMPVKDDTNAC-HXUWFJFHSA-N 1 1 468.623 4.513 50 0 JJAAMO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000011911621 555859652 /nfs/dbraw/zinc/85/96/52/555859652.db2.gz QBRVCEXVAYNVPJ-XLIONFOSSA-N 1 1 478.540 4.721 50 0 JJAAMO CC(C)NC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC000011911621 555859657 /nfs/dbraw/zinc/85/96/57/555859657.db2.gz QBRVCEXVAYNVPJ-XLIONFOSSA-N 1 1 478.540 4.721 50 0 JJAAMO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000011912556 555861334 /nfs/dbraw/zinc/86/13/34/555861334.db2.gz TUYPPTSOIKNFMH-UHFFFAOYSA-N 1 1 463.666 4.830 50 0 JJAAMO Cc1ccc(CN2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)c(C)c1 ZINC000011912954 555862254 /nfs/dbraw/zinc/86/22/54/555862254.db2.gz JJYPOYJLLFJXQO-UHFFFAOYSA-N 1 1 457.618 4.577 50 0 JJAAMO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000022040158 555865682 /nfs/dbraw/zinc/86/56/82/555865682.db2.gz GMJHXKYYVLJIDJ-UHFFFAOYSA-N 1 1 450.995 4.623 50 0 JJAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015072581 555871685 /nfs/dbraw/zinc/87/16/85/555871685.db2.gz LGUNDIMGTDPOOL-SPUUMBSKSA-N 1 1 499.659 4.760 50 0 JJAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015072581 555871687 /nfs/dbraw/zinc/87/16/87/555871687.db2.gz LGUNDIMGTDPOOL-SPUUMBSKSA-N 1 1 499.659 4.760 50 0 JJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000015319148 555897211 /nfs/dbraw/zinc/89/72/11/555897211.db2.gz ZHKOJPHSOWHHAZ-UZLBHIALSA-N 1 1 476.474 4.976 50 0 JJAAMO COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c1OC ZINC000012098923 555906158 /nfs/dbraw/zinc/90/61/58/555906158.db2.gz OXGGWOZGLZXVQN-NQIIRXRSSA-N 1 1 462.512 4.736 50 0 JJAAMO COC(=O)c1ccc(CN2CC[C@@H]([N@@H+](C)CCC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 ZINC000012128037 555910672 /nfs/dbraw/zinc/91/06/72/555910672.db2.gz SFWRUYICLLASCP-SPHKWJJASA-N 1 1 452.639 4.893 50 0 JJAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000015669154 555922977 /nfs/dbraw/zinc/92/29/77/555922977.db2.gz OVSNEGQHYPABRA-UHFFFAOYSA-N 1 1 451.958 4.979 50 0 JJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000015671214 555928185 /nfs/dbraw/zinc/92/81/85/555928185.db2.gz CLKHSSPTPWMYHU-UHFFFAOYSA-N 1 1 457.456 4.636 50 0 JJAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000015671215 555928415 /nfs/dbraw/zinc/92/84/15/555928415.db2.gz HAKJVHOSNYKOMK-UHFFFAOYSA-N 1 1 457.456 4.636 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccsc1)Sc1ccccc1-2 ZINC000012162765 555931339 /nfs/dbraw/zinc/93/13/39/555931339.db2.gz CBMZHJDZUYEJHJ-DVECYGJZSA-N 1 1 479.671 4.811 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccc(F)c(F)c2)CC3)c1 ZINC000012190728 555937741 /nfs/dbraw/zinc/93/77/41/555937741.db2.gz YMMRDLVJYFYCNJ-XMMPIXPASA-N 1 1 481.591 4.749 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(F)c(F)c2)CC3)c1 ZINC000012190728 555937745 /nfs/dbraw/zinc/93/77/45/555937745.db2.gz YMMRDLVJYFYCNJ-XMMPIXPASA-N 1 1 481.591 4.749 50 0 JJAAMO Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CC[NH+](Cc3cccc(F)c3F)CC2)n(C)n1 ZINC000012211439 555943122 /nfs/dbraw/zinc/94/31/22/555943122.db2.gz OUIYWHCOEQDXBP-XMMPIXPASA-N 1 1 466.576 4.602 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@H](c4cccs4)C(C)C)CC3)n2)cc1OC ZINC000015726475 555965092 /nfs/dbraw/zinc/96/50/92/555965092.db2.gz MHPLOPAFZVCIIU-QHCPKHFHSA-N 1 1 484.622 4.541 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)o1 ZINC000015727620 555966753 /nfs/dbraw/zinc/96/67/53/555966753.db2.gz KFNLVTIPYHIDQE-IBGZPJMESA-N 1 1 465.598 4.809 50 0 JJAAMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022919480 555973287 /nfs/dbraw/zinc/97/32/87/555973287.db2.gz UPMSOJFMJLPGHW-UHFFFAOYSA-N 1 1 491.657 4.965 50 0 JJAAMO COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000022930715 555983848 /nfs/dbraw/zinc/98/38/48/555983848.db2.gz OUXBUYRYKRGTFU-MUUNZHRXSA-N 1 1 466.585 4.741 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)C3=Cc4sc5c(c4CS3)CCCC5)cc2)CC1 ZINC000022936521 555989423 /nfs/dbraw/zinc/98/94/23/555989423.db2.gz MDWHBMFUBRDHJK-UHFFFAOYSA-N 1 1 453.677 4.991 50 0 JJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCCC2)o1 ZINC000015860453 556031675 /nfs/dbraw/zinc/03/16/75/556031675.db2.gz HLNSLSJDQOEQET-LJQANCHMSA-N 1 1 458.356 4.963 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334410 556044074 /nfs/dbraw/zinc/04/40/74/556044074.db2.gz YDOZLNRDTHNSKY-RUZDIDTESA-N 1 1 457.622 4.948 50 0 JJAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023334410 556044075 /nfs/dbraw/zinc/04/40/75/556044075.db2.gz YDOZLNRDTHNSKY-RUZDIDTESA-N 1 1 457.622 4.948 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023334410 556044077 /nfs/dbraw/zinc/04/40/77/556044077.db2.gz YDOZLNRDTHNSKY-RUZDIDTESA-N 1 1 457.622 4.948 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCCC[C@H]1C)CCC2 ZINC000015946658 556083373 /nfs/dbraw/zinc/08/33/73/556083373.db2.gz VJDWFDNZKXFNAL-CQSZACIVSA-N 1 1 462.015 4.964 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCCC[C@H]1C)CCC2 ZINC000015946658 556083377 /nfs/dbraw/zinc/08/33/77/556083377.db2.gz VJDWFDNZKXFNAL-CQSZACIVSA-N 1 1 462.015 4.964 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000015969075 556095011 /nfs/dbraw/zinc/09/50/11/556095011.db2.gz TXYVFFUIEMPVJQ-SBXDIWKWSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000015969075 556095013 /nfs/dbraw/zinc/09/50/13/556095013.db2.gz TXYVFFUIEMPVJQ-SBXDIWKWSA-N 1 1 497.982 4.663 50 0 JJAAMO COc1ccccc1C(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891136 556172197 /nfs/dbraw/zinc/17/21/97/556172197.db2.gz ISUXUBYNFDANJC-MHECFPHRSA-N 1 1 453.583 4.578 50 0 JJAAMO O=C(CSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000025051097 556174523 /nfs/dbraw/zinc/17/45/23/556174523.db2.gz HUISWGPQGKIRIS-JOCHJYFZSA-N 1 1 463.578 4.561 50 0 JJAAMO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012989787 556183409 /nfs/dbraw/zinc/18/34/09/556183409.db2.gz HPTURLHPYLMUQM-UHFFFAOYSA-N 1 1 476.268 4.506 50 0 JJAAMO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012989787 556183414 /nfs/dbraw/zinc/18/34/14/556183414.db2.gz HPTURLHPYLMUQM-UHFFFAOYSA-N 1 1 476.268 4.506 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(Br)c4)CC3)n2)cc1 ZINC000017042609 556208990 /nfs/dbraw/zinc/20/89/90/556208990.db2.gz DFBIPRWRIAROKT-UHFFFAOYSA-N 1 1 466.383 4.562 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4cc(C(C)C)ccc4C)CC3)n2)cc1 ZINC000017042671 556209151 /nfs/dbraw/zinc/20/91/51/556209151.db2.gz YSGWPCNUISQSCB-UHFFFAOYSA-N 1 1 479.650 4.780 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000025390568 556212143 /nfs/dbraw/zinc/21/21/43/556212143.db2.gz MMCCAGCJBZWYEP-HXUWFJFHSA-N 1 1 491.657 4.942 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000025390568 556212147 /nfs/dbraw/zinc/21/21/47/556212147.db2.gz MMCCAGCJBZWYEP-HXUWFJFHSA-N 1 1 491.657 4.942 50 0 JJAAMO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013060466 556256289 /nfs/dbraw/zinc/25/62/89/556256289.db2.gz WAWVKKDGGLZHIY-VWLOTQADSA-N 1 1 461.993 4.546 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000029192978 556348802 /nfs/dbraw/zinc/34/88/02/556348802.db2.gz MHLMRLATDXMWAF-VWLOTQADSA-N 1 1 477.674 4.981 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000029199458 556349015 /nfs/dbraw/zinc/34/90/15/556349015.db2.gz OMCGMNBJURXFRS-SANMLTNESA-N 1 1 461.993 4.896 50 0 JJAAMO O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000029630171 556354275 /nfs/dbraw/zinc/35/42/75/556354275.db2.gz QRBHPIYPTAICSJ-AREMUKBSSA-N 1 1 482.628 4.864 50 0 JJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)ccc21 ZINC000019608289 556357579 /nfs/dbraw/zinc/35/75/79/556357579.db2.gz XOJFOMXZHBKRLY-UHFFFAOYSA-N 1 1 457.574 4.790 50 0 JJAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000019740210 556363999 /nfs/dbraw/zinc/36/39/99/556363999.db2.gz SNOQQUKTUJJBPJ-MUUNZHRXSA-N 1 1 494.643 4.834 50 0 JJAAMO CCCc1noc(CCC(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)n1 ZINC000030180783 556364189 /nfs/dbraw/zinc/36/41/89/556364189.db2.gz PKLYOSWSDOKKDR-UHFFFAOYSA-N 1 1 459.015 4.681 50 0 JJAAMO COc1ccc(Br)cc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccnc1 ZINC000019787663 556370017 /nfs/dbraw/zinc/37/00/17/556370017.db2.gz DCHRAUABAZUBDQ-UHFFFAOYSA-N 1 1 455.352 4.826 50 0 JJAAMO C[N@H+](Cc1cscn1)[C@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000019795249 556373864 /nfs/dbraw/zinc/37/38/64/556373864.db2.gz HYGIKTCSAUUBAW-KRWDZBQOSA-N 1 1 471.051 4.800 50 0 JJAAMO C[N@@H+](Cc1cscn1)[C@H]1CCc2c(sc3ncn(CCc4ccccc4Cl)c(=O)c23)C1 ZINC000019795249 556373869 /nfs/dbraw/zinc/37/38/69/556373869.db2.gz HYGIKTCSAUUBAW-KRWDZBQOSA-N 1 1 471.051 4.800 50 0 JJAAMO O=C(c1ccccc1I)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019798852 556376168 /nfs/dbraw/zinc/37/61/68/556376168.db2.gz XTORCHCFJFSXFJ-UHFFFAOYSA-N 1 1 482.365 4.839 50 0 JJAAMO CC(C)c1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031816637 556407514 /nfs/dbraw/zinc/40/75/14/556407514.db2.gz ZUAGXDLBQHAAKY-UHFFFAOYSA-N 1 1 459.516 4.661 50 0 JJAAMO CCCn1c(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)nnc1-c1cccc(C)c1 ZINC000032389212 556434964 /nfs/dbraw/zinc/43/49/64/556434964.db2.gz DLQFDEUJLVESJF-NRFANRHFSA-N 1 1 463.651 4.661 50 0 JJAAMO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCCC2)cc1OC ZINC000032622207 556451835 /nfs/dbraw/zinc/45/18/35/556451835.db2.gz CFDCLRPJPYFQIV-NRFANRHFSA-N 1 1 469.969 4.969 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000032642456 556465545 /nfs/dbraw/zinc/46/55/45/556465545.db2.gz YFYGQNUGFDKKQF-UHFFFAOYSA-N 1 1 496.533 4.714 50 0 JJAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[NH+]3CCC(C(=O)N4CCCCC4)CC3)ccc21 ZINC000032665161 556466448 /nfs/dbraw/zinc/46/64/48/556466448.db2.gz QBIFOUANEXOVMV-FQEVSTJZSA-N 1 1 460.622 4.866 50 0 JJAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccccc2)c1 ZINC000032739772 556479938 /nfs/dbraw/zinc/47/99/38/556479938.db2.gz GSXZPGIEFUVQAX-SANMLTNESA-N 1 1 491.638 4.891 50 0 JJAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000032907522 556531830 /nfs/dbraw/zinc/53/18/30/556531830.db2.gz QXSNPGNHNUGVMR-UHFFFAOYSA-N 1 1 453.955 4.873 50 0 JJAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccco4)n(-c4ccc(Cl)cc4)n3)sc2C1 ZINC000032907522 556531833 /nfs/dbraw/zinc/53/18/33/556531833.db2.gz QXSNPGNHNUGVMR-UHFFFAOYSA-N 1 1 453.955 4.873 50 0 JJAAMO O=C1N[C@H](c2cc3c(cc2Cl)OCO3)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722169 569598775 /nfs/dbraw/zinc/59/87/75/569598775.db2.gz JBXJHMUDQJATHN-NRFANRHFSA-N 1 1 453.951 4.543 50 0 JJAAMO O=C1N[C@H](c2cc3c(cc2Cl)OCO3)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722169 569598777 /nfs/dbraw/zinc/59/87/77/569598777.db2.gz JBXJHMUDQJATHN-NRFANRHFSA-N 1 1 453.951 4.543 50 0 JJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983902 569607183 /nfs/dbraw/zinc/60/71/83/569607183.db2.gz TYTNAWDAJDOLNT-ONUIUJJFSA-N 1 1 487.987 4.890 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2)Cc1ccccc1 ZINC000032983998 569607274 /nfs/dbraw/zinc/60/72/74/569607274.db2.gz QFZBFQUEHNLKAS-PCLIKHOPSA-N 1 1 475.976 4.964 50 0 JJAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000060207260 569608515 /nfs/dbraw/zinc/60/85/15/569608515.db2.gz JALYRGWJFKKHLB-CQSZACIVSA-N 1 1 462.438 4.760 50 0 JJAAMO CCn1c(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000032986421 569608880 /nfs/dbraw/zinc/60/88/80/569608880.db2.gz FVGAWRGZQVBUIE-SFHVURJKSA-N 1 1 490.460 4.755 50 0 JJAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000063502981 569615280 /nfs/dbraw/zinc/61/52/80/569615280.db2.gz CHNJOGMVMXKTHY-UHFFFAOYSA-N 1 1 493.032 4.609 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000064198919 569616291 /nfs/dbraw/zinc/61/62/91/569616291.db2.gz DZAAESPYYUEWME-WGTZDZHJSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000064198919 569616293 /nfs/dbraw/zinc/61/62/93/569616293.db2.gz DZAAESPYYUEWME-WGTZDZHJSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cccc(N2CC[NH+](CCNC(=O)Cn3c(-c4cccs4)cc4ccccc43)CC2)c1C ZINC000064816495 569633611 /nfs/dbraw/zinc/63/36/11/569633611.db2.gz QKPDQZQOMHDNET-UHFFFAOYSA-N 1 1 472.658 4.925 50 0 JJAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1)Cc1ccccc1 ZINC000064872708 569640712 /nfs/dbraw/zinc/64/07/12/569640712.db2.gz RIGVJKAJGKGDIO-UHFFFAOYSA-N 1 1 471.649 4.697 50 0 JJAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000034681703 569643460 /nfs/dbraw/zinc/64/34/60/569643460.db2.gz PGXRETXQSUGSLQ-UHFFFAOYSA-N 1 1 468.960 4.604 50 0 JJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3Cl)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681915 569643636 /nfs/dbraw/zinc/64/36/36/569643636.db2.gz ANWHIZGWYOZHGL-UHFFFAOYSA-N 1 1 456.924 4.978 50 0 JJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3F)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681930 569643706 /nfs/dbraw/zinc/64/37/06/569643706.db2.gz LVNASQSFGCIHSS-UHFFFAOYSA-N 1 1 458.459 4.603 50 0 JJAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3F)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681930 569643707 /nfs/dbraw/zinc/64/37/07/569643707.db2.gz LVNASQSFGCIHSS-UHFFFAOYSA-N 1 1 458.459 4.603 50 0 JJAAMO COc1cc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)ccc1O ZINC000034683951 569644825 /nfs/dbraw/zinc/64/48/25/569644825.db2.gz UYORUIVHTSZZGZ-UHFFFAOYSA-N 1 1 466.603 4.569 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023530 569649793 /nfs/dbraw/zinc/64/97/93/569649793.db2.gz JRLZYJKZTMKBKW-XMMPIXPASA-N 1 1 475.612 4.528 50 0 JJAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740471 569655244 /nfs/dbraw/zinc/65/52/44/569655244.db2.gz JJSZOWJOKYPELU-ISKFKSNPSA-N 1 1 454.586 4.911 50 0 JJAAMO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)s3)no2)cc1 ZINC000065062893 569656213 /nfs/dbraw/zinc/65/62/13/569656213.db2.gz VLZFFZKNGSHPGU-UHFFFAOYSA-N 1 1 462.575 4.726 50 0 JJAAMO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)s3)no2)cc1 ZINC000065062901 569656236 /nfs/dbraw/zinc/65/62/36/569656236.db2.gz HGEPGWORGFTPFT-UHFFFAOYSA-N 1 1 454.596 4.858 50 0 JJAAMO CCCCCCC(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787370 569659809 /nfs/dbraw/zinc/65/98/09/569659809.db2.gz OGYKJYPJVSWNNS-MHZLTWQESA-N 1 1 467.679 4.727 50 0 JJAAMO CCCCCCC(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787370 569659810 /nfs/dbraw/zinc/65/98/10/569659810.db2.gz OGYKJYPJVSWNNS-MHZLTWQESA-N 1 1 467.679 4.727 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787959 569659939 /nfs/dbraw/zinc/65/99/39/569659939.db2.gz KRFKDQWSZFPHPE-HHHXNRCGSA-N 1 1 479.690 4.645 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787959 569659940 /nfs/dbraw/zinc/65/99/40/569659940.db2.gz KRFKDQWSZFPHPE-HHHXNRCGSA-N 1 1 479.690 4.645 50 0 JJAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787947 569660023 /nfs/dbraw/zinc/66/00/23/569660023.db2.gz BGGHZDWCOKAJCP-NDEPHWFRSA-N 1 1 487.669 4.687 50 0 JJAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787947 569660025 /nfs/dbraw/zinc/66/00/25/569660025.db2.gz BGGHZDWCOKAJCP-NDEPHWFRSA-N 1 1 487.669 4.687 50 0 JJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829938 569663576 /nfs/dbraw/zinc/66/35/76/569663576.db2.gz BFLAZJCCTCDWQU-IDISGSTGSA-N 1 1 488.657 4.769 50 0 JJAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829938 569663578 /nfs/dbraw/zinc/66/35/78/569663578.db2.gz BFLAZJCCTCDWQU-IDISGSTGSA-N 1 1 488.657 4.769 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830239 569663630 /nfs/dbraw/zinc/66/36/30/569663630.db2.gz ZHSNHDKMAJVTCV-MHZLTWQESA-N 1 1 481.706 4.891 50 0 JJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C)C2)cc1 ZINC000034829952 569663649 /nfs/dbraw/zinc/66/36/49/569663649.db2.gz CDVWFASIXQAIIZ-JIPXPUAJSA-N 1 1 494.705 4.579 50 0 JJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C)C2)cc1 ZINC000034829952 569663650 /nfs/dbraw/zinc/66/36/50/569663650.db2.gz CDVWFASIXQAIIZ-JIPXPUAJSA-N 1 1 494.705 4.579 50 0 JJAAMO O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000067689748 569690259 /nfs/dbraw/zinc/69/02/59/569690259.db2.gz JTVGQRREZKALDZ-JOCHJYFZSA-N 1 1 491.994 4.766 50 0 JJAAMO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cn2)cc1C ZINC000035403613 569691321 /nfs/dbraw/zinc/69/13/21/569691321.db2.gz NMCAUIYMDUSZLI-UHFFFAOYSA-N 1 1 490.051 4.580 50 0 JJAAMO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)cn2)cc1C ZINC000035403613 569691322 /nfs/dbraw/zinc/69/13/22/569691322.db2.gz NMCAUIYMDUSZLI-UHFFFAOYSA-N 1 1 490.051 4.580 50 0 JJAAMO Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000069615386 569693485 /nfs/dbraw/zinc/69/34/85/569693485.db2.gz MEJIAVHTNJGTBW-LPHOPBHVSA-N 1 1 498.718 4.771 50 0 JJAAMO Cc1noc(C)c1CCC(=O)N(C[C@@H]1CCC[N@H+]1CC1CCCCC1)C(=O)CCc1c(C)noc1C ZINC000069841321 569693804 /nfs/dbraw/zinc/69/38/04/569693804.db2.gz WLLIUGDDQXABQA-DEOSSOPVSA-N 1 1 498.668 4.862 50 0 JJAAMO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000072272278 569701362 /nfs/dbraw/zinc/70/13/62/569701362.db2.gz LARBAAJGXGRLBP-UHFFFAOYSA-N 1 1 484.826 4.616 50 0 JJAAMO Cc1c(OCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000079192282 569707161 /nfs/dbraw/zinc/70/71/61/569707161.db2.gz UDKCRUIENDYBPS-JYFHCDHNSA-N 1 1 488.628 4.760 50 0 biogenic JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000035807134 569711630 /nfs/dbraw/zinc/71/16/30/569711630.db2.gz NWZOJQQDEHLRJJ-FRGOEROOSA-N 1 1 491.591 4.626 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807477 569711641 /nfs/dbraw/zinc/71/16/41/569711641.db2.gz TXYVFFUIEMPVJQ-HWJGEBQJSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035807477 569711642 /nfs/dbraw/zinc/71/16/42/569711642.db2.gz TXYVFFUIEMPVJQ-HWJGEBQJSA-N 1 1 497.982 4.663 50 0 JJAAMO O=C(c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085649444 569712301 /nfs/dbraw/zinc/71/23/01/569712301.db2.gz DCFQCAYCBFMOLI-UHFFFAOYSA-N 1 1 467.548 4.984 50 0 JJAAMO C[C@@H](NC(=O)c1c(F)cccc1F)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997925 569716795 /nfs/dbraw/zinc/71/67/95/569716795.db2.gz ZFQWYXXFPIWSOT-HOYKHHGWSA-N 1 1 455.574 4.704 50 0 JJAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000035869749 569718128 /nfs/dbraw/zinc/71/81/28/569718128.db2.gz JNOZEOYPSPQZGZ-AHWVRZQESA-N 1 1 479.546 4.885 50 0 JJAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871982 569719056 /nfs/dbraw/zinc/71/90/56/569719056.db2.gz NLHFZAPXSSZYHM-ISKFKSNPSA-N 1 1 475.530 4.766 50 0 JJAAMO Cc1[nH+]ccn1CC(=O)N(c1cccc(F)c1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1C ZINC000094568745 569721530 /nfs/dbraw/zinc/72/15/30/569721530.db2.gz FNYGWXSATBUBER-AREMUKBSSA-N 1 1 462.569 4.862 50 0 in-vitro JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(C)=O)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000095550676 569727576 /nfs/dbraw/zinc/72/75/76/569727576.db2.gz SGTRBTXQFSWRIY-UHFFFAOYSA-N 1 1 460.622 4.723 50 0 JJAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000035924679 569728193 /nfs/dbraw/zinc/72/81/93/569728193.db2.gz MERYFHYBFPUCRG-UHFFFAOYSA-N 1 1 458.585 4.928 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)CC1 ZINC000095925490 569730131 /nfs/dbraw/zinc/73/01/31/569730131.db2.gz OLYRAKPKULVUQP-UHFFFAOYSA-N 1 1 498.656 4.708 50 0 JJAAMO COc1ccc(-c2nn3c(nc(C)cc3N3CC[NH+](C/C=C\c4ccccc4)CC3)c2C)cc1 ZINC000096803805 569743209 /nfs/dbraw/zinc/74/32/09/569743209.db2.gz DEQUJOAHYINOMJ-YFHOEESVSA-N 1 1 453.590 4.857 50 0 JJAAMO COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2C)cc1 ZINC000036041043 569753632 /nfs/dbraw/zinc/75/36/32/569753632.db2.gz ZHHGQZRTDHZJNM-RUZDIDTESA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036041043 569753634 /nfs/dbraw/zinc/75/36/34/569753634.db2.gz ZHHGQZRTDHZJNM-RUZDIDTESA-N 1 1 460.574 4.550 50 0 JJAAMO COc1cccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2C)c1 ZINC000036041055 569753654 /nfs/dbraw/zinc/75/36/54/569753654.db2.gz FRGWRLPHNXZGFJ-RUZDIDTESA-N 1 1 460.574 4.550 50 0 JJAAMO COc1cccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2C)c1 ZINC000036041055 569753656 /nfs/dbraw/zinc/75/36/56/569753656.db2.gz FRGWRLPHNXZGFJ-RUZDIDTESA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000036043144 569754587 /nfs/dbraw/zinc/75/45/87/569754587.db2.gz RYPSGJNFCMQBTA-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000036043144 569754588 /nfs/dbraw/zinc/75/45/88/569754588.db2.gz RYPSGJNFCMQBTA-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000036312202 569760059 /nfs/dbraw/zinc/76/00/59/569760059.db2.gz CKQFHONQIFGRPL-UHFFFAOYSA-N 1 1 470.976 4.938 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H](O)COCc1ccco1 ZINC000036313069 569760583 /nfs/dbraw/zinc/76/05/83/569760583.db2.gz GXZSUAVRULGIQX-UPVQGACJSA-N 1 1 497.636 4.730 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036313015 569760590 /nfs/dbraw/zinc/76/05/90/569760590.db2.gz VYUROFDKFFRJRB-AREMUKBSSA-N 1 1 493.648 4.748 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312990 569760628 /nfs/dbraw/zinc/76/06/28/569760628.db2.gz QBZKIQNCYBUQHC-HSZRJFAPSA-N 1 1 467.610 4.961 50 0 JJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312990 569760629 /nfs/dbraw/zinc/76/06/29/569760629.db2.gz QBZKIQNCYBUQHC-HSZRJFAPSA-N 1 1 467.610 4.961 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312991 569760631 /nfs/dbraw/zinc/76/06/31/569760631.db2.gz QBZKIQNCYBUQHC-QHCPKHFHSA-N 1 1 467.610 4.961 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312991 569760632 /nfs/dbraw/zinc/76/06/32/569760632.db2.gz QBZKIQNCYBUQHC-QHCPKHFHSA-N 1 1 467.610 4.961 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H](O)COCc1ccco1 ZINC000036313068 569760690 /nfs/dbraw/zinc/76/06/90/569760690.db2.gz GXZSUAVRULGIQX-VWNXMTODSA-N 1 1 497.636 4.730 50 0 JJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313677 569760948 /nfs/dbraw/zinc/76/09/48/569760948.db2.gz PQFCFFKYJVGMJQ-DEOSSOPVSA-N 1 1 481.637 4.853 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313677 569760949 /nfs/dbraw/zinc/76/09/49/569760949.db2.gz PQFCFFKYJVGMJQ-DEOSSOPVSA-N 1 1 481.637 4.853 50 0 JJAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313944 569761628 /nfs/dbraw/zinc/76/16/28/569761628.db2.gz YYCLNHPXEHMKHG-JOCHJYFZSA-N 1 1 467.610 4.888 50 0 JJAAMO Fc1ccc(Br)cc1[C@@H]1C=C(c2ccc(Br)s2)[NH+]=C2N=CNN21 ZINC000100492912 569762239 /nfs/dbraw/zinc/76/22/39/569762239.db2.gz AIGPQSVZUISQKQ-LBPRGKRZSA-N 1 1 456.138 4.713 50 0 JJAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316182 569762316 /nfs/dbraw/zinc/76/23/16/569762316.db2.gz NAAAXKDGLFLZIZ-OAQYLSRUSA-N 1 1 453.558 4.769 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC ZINC000036316437 569763106 /nfs/dbraw/zinc/76/31/06/569763106.db2.gz HHUZUOJALFLVBB-JOCHJYFZSA-N 1 1 467.610 4.845 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000036341608 569764686 /nfs/dbraw/zinc/76/46/86/569764686.db2.gz ULZMDVOZEYFHRC-HHHXNRCGSA-N 1 1 473.020 4.836 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000036341993 569765106 /nfs/dbraw/zinc/76/51/06/569765106.db2.gz PXXOSACPAXYLMW-REWPJTCUSA-N 1 1 467.610 4.980 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343800 569766453 /nfs/dbraw/zinc/76/64/53/569766453.db2.gz GMBQITFTEISVRF-RDPSFJRHSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036343800 569766455 /nfs/dbraw/zinc/76/64/55/569766455.db2.gz GMBQITFTEISVRF-RDPSFJRHSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OCC)cc2)C1 ZINC000036344134 569766674 /nfs/dbraw/zinc/76/66/74/569766674.db2.gz DYAROPMJOGHNMS-HOFKKMOUSA-N 1 1 491.632 4.655 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(OCC)cc2)C1 ZINC000036344134 569766675 /nfs/dbraw/zinc/76/66/75/569766675.db2.gz DYAROPMJOGHNMS-HOFKKMOUSA-N 1 1 491.632 4.655 50 0 JJAAMO CCOc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344069 569766739 /nfs/dbraw/zinc/76/67/39/569766739.db2.gz QLWZSCIXMZARFZ-GDLZYMKVSA-N 1 1 482.628 4.581 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344770 569767196 /nfs/dbraw/zinc/76/71/96/569767196.db2.gz JMHSYRFTXMLKSE-LJAQVGFWSA-N 1 1 484.619 4.938 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344606 569767244 /nfs/dbraw/zinc/76/72/44/569767244.db2.gz QSLZHBRPLACINY-BVAGGSTKSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344606 569767245 /nfs/dbraw/zinc/76/72/45/569767245.db2.gz QSLZHBRPLACINY-BVAGGSTKSA-N 1 1 461.606 4.565 50 0 JJAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036345132 569767653 /nfs/dbraw/zinc/76/76/53/569767653.db2.gz STTHCDQJDYILQI-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000036345026 569767708 /nfs/dbraw/zinc/76/77/08/569767708.db2.gz MRXIGMUHGWLFBL-HHHXNRCGSA-N 1 1 473.020 4.836 50 0 JJAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000036345240 569767863 /nfs/dbraw/zinc/76/78/63/569767863.db2.gz STUBTIKUZRBHMI-MUUNZHRXSA-N 1 1 470.592 4.630 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036345993 569768626 /nfs/dbraw/zinc/76/86/26/569768626.db2.gz HGLHYHGNWMBPNV-QHCPKHFHSA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC(C)C ZINC000036345993 569768627 /nfs/dbraw/zinc/76/86/27/569768627.db2.gz HGLHYHGNWMBPNV-QHCPKHFHSA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346001 569768723 /nfs/dbraw/zinc/76/87/23/569768723.db2.gz PAHYDHATZZBAHU-QFIPXVFZSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COC(C)(C)C ZINC000036346001 569768724 /nfs/dbraw/zinc/76/87/24/569768724.db2.gz PAHYDHATZZBAHU-QFIPXVFZSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)C(C)C ZINC000036346566 569770109 /nfs/dbraw/zinc/77/01/09/569770109.db2.gz RBJJZGQCMXAOIU-HSZRJFAPSA-N 1 1 459.537 4.717 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)C(C)C ZINC000036346566 569770110 /nfs/dbraw/zinc/77/01/10/569770110.db2.gz RBJJZGQCMXAOIU-HSZRJFAPSA-N 1 1 459.537 4.717 50 0 JJAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000037570533 569795705 /nfs/dbraw/zinc/79/57/05/569795705.db2.gz VTZMGFHXGMMXHN-UHFFFAOYSA-N 1 1 496.629 4.572 50 0 JJAAMO COc1ccccc1C[NH+]1CCC(N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000037570676 569795943 /nfs/dbraw/zinc/79/59/43/569795943.db2.gz GHOVKGTUKQTCOG-UHFFFAOYSA-N 1 1 450.604 4.864 50 0 JJAAMO CCc1cc([C@@H](c2cccc(OC)c2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546478 569803059 /nfs/dbraw/zinc/80/30/59/569803059.db2.gz PATFFXOJEJINOK-JOCHJYFZSA-N 1 1 469.607 4.510 50 0 JJAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546500 569803231 /nfs/dbraw/zinc/80/32/31/569803231.db2.gz LPOUODLCQVXCJM-QHCPKHFHSA-N 1 1 453.583 4.948 50 0 JJAAMO Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)[C@H]2c2cccs2)cc1 ZINC000039563900 569810844 /nfs/dbraw/zinc/81/08/44/569810844.db2.gz XEPAUBYDQBQTST-DHLKQENFSA-N 1 1 453.652 4.730 50 0 JJAAMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000040157933 569821779 /nfs/dbraw/zinc/82/17/79/569821779.db2.gz CDJLLRYYVXHIEH-SANMLTNESA-N 1 1 468.532 4.743 50 0 JJAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)c1 ZINC000040157933 569821780 /nfs/dbraw/zinc/82/17/80/569821780.db2.gz CDJLLRYYVXHIEH-SANMLTNESA-N 1 1 468.532 4.743 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355474 569823848 /nfs/dbraw/zinc/82/38/48/569823848.db2.gz TUIHLTGLCBKKPF-CYBMUJFWSA-N 1 1 455.411 4.697 50 0 JJAAMO O=C(CCCc1cn(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc12)N1CCCCCC1 ZINC000043746800 569838335 /nfs/dbraw/zinc/83/83/35/569838335.db2.gz XHOKXAICBKRPCR-NOZRDPDXSA-N 1 1 486.660 4.605 50 0 biogenic JJAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032536 569843100 /nfs/dbraw/zinc/84/31/00/569843100.db2.gz GCCFMUUMNIPEHE-UHFFFAOYSA-N 1 1 454.640 4.971 50 0 JJAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032536 569843102 /nfs/dbraw/zinc/84/31/02/569843102.db2.gz GCCFMUUMNIPEHE-UHFFFAOYSA-N 1 1 454.640 4.971 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983607 569848225 /nfs/dbraw/zinc/84/82/25/569848225.db2.gz OBJCWMGQDYCHLO-VQTJNVASSA-N 1 1 479.404 4.693 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000105002849 569849229 /nfs/dbraw/zinc/84/92/29/569849229.db2.gz LWOWHYDKQFPAKV-SHQCIBLASA-N 1 1 492.685 4.877 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105009652 569850510 /nfs/dbraw/zinc/85/05/10/569850510.db2.gz OMNLSMZGSICYPD-BKMJKUGQSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105009652 569850511 /nfs/dbraw/zinc/85/05/11/569850511.db2.gz OMNLSMZGSICYPD-BKMJKUGQSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011047 569850913 /nfs/dbraw/zinc/85/09/13/569850913.db2.gz QSLZHBRPLACINY-JYFHCDHNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011047 569850914 /nfs/dbraw/zinc/85/09/14/569850914.db2.gz QSLZHBRPLACINY-JYFHCDHNSA-N 1 1 461.606 4.565 50 0 JJAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677747 569868919 /nfs/dbraw/zinc/86/89/19/569868919.db2.gz NLHFZAPXSSZYHM-UPVQGACJSA-N 1 1 475.530 4.766 50 0 JJAAMO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169677750 569868953 /nfs/dbraw/zinc/86/89/53/569868953.db2.gz YPEURFYYLXTQCU-VWNXMTODSA-N 1 1 473.539 4.958 50 0 JJAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@@H]12 ZINC000169678706 569869200 /nfs/dbraw/zinc/86/92/00/569869200.db2.gz ILWGUXWWMDHOTC-GGAORHGYSA-N 1 1 461.528 4.610 50 0 JJAAMO C[C@@H]1CCc2c(sc3nc(C[N@@H+](C[C@@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000169679141 569869539 /nfs/dbraw/zinc/86/95/39/569869539.db2.gz XMOWRIKPWSDFRI-DENIHFKCSA-N 1 1 495.689 4.822 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000169679379 569869787 /nfs/dbraw/zinc/86/97/87/569869787.db2.gz PVTOUNJWNJSZKA-VWNXMTODSA-N 1 1 472.944 4.645 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)C[C@@H](O)COC(C)C ZINC000169680108 569870244 /nfs/dbraw/zinc/87/02/44/569870244.db2.gz XYAKCLOLUWCLFI-XMMPIXPASA-N 1 1 451.611 4.976 50 0 JJAAMO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000169680134 569870266 /nfs/dbraw/zinc/87/02/66/569870266.db2.gz QJWASZDUTMMKQO-RPLLCQBOSA-N 1 1 492.685 4.875 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@@]23c2ccccc2NC3=O)cc1 ZINC000229656428 570040941 /nfs/dbraw/zinc/04/09/41/570040941.db2.gz NWZOJQQDEHLRJJ-WWPKSBKISA-N 1 1 491.591 4.626 50 0 JJAAMO CCCC[N@@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230075930 570044404 /nfs/dbraw/zinc/04/44/04/570044404.db2.gz XBGKNLSIKIWAAN-RPWUZVMVSA-N 1 1 465.619 4.670 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)CC2)cc1 ZINC000230129067 570045419 /nfs/dbraw/zinc/04/54/19/570045419.db2.gz QNPWPIURSIXVIU-DNQXCXABSA-N 1 1 477.649 4.511 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000230138060 570045933 /nfs/dbraw/zinc/04/59/33/570045933.db2.gz BJBXHKUAPONEOC-RSXGOPAZSA-N 1 1 496.076 4.632 50 0 JJAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000230156910 570046086 /nfs/dbraw/zinc/04/60/86/570046086.db2.gz BEGNDCGQVPUYOS-XCZPVHLTSA-N 1 1 471.004 4.996 50 0 JJAAMO Cc1ccnc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000239808075 570052698 /nfs/dbraw/zinc/05/26/98/570052698.db2.gz KGIVOOFIUKTPAT-INIZCTEOSA-N 1 1 495.977 4.581 50 0 JJAAMO Cc1ccnc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000239808075 570052699 /nfs/dbraw/zinc/05/26/99/570052699.db2.gz KGIVOOFIUKTPAT-INIZCTEOSA-N 1 1 495.977 4.581 50 0 JJAAMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C)CC1 ZINC000240122399 570052974 /nfs/dbraw/zinc/05/29/74/570052974.db2.gz VYJZTUUHWKPPHK-IBGZPJMESA-N 1 1 460.544 4.533 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245234519 570056863 /nfs/dbraw/zinc/05/68/63/570056863.db2.gz BSQKNGLCBQSICK-LYZGTLIUSA-N 1 1 482.669 4.942 50 0 JJAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245279026 570061263 /nfs/dbraw/zinc/06/12/63/570061263.db2.gz AVPVLOZXCKHZIA-AOYPEHQESA-N 1 1 493.648 4.955 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245280753 570061963 /nfs/dbraw/zinc/06/19/63/570061963.db2.gz RSYVSFBVHDATSC-ILBGXUMGSA-N 1 1 479.621 4.646 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245312272 570063780 /nfs/dbraw/zinc/06/37/80/570063780.db2.gz SJKMJYHPFIFAPZ-GSPCLOLRSA-N 1 1 478.976 4.788 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@H]3[C@H]2C1=O ZINC000245312272 570063781 /nfs/dbraw/zinc/06/37/81/570063781.db2.gz SJKMJYHPFIFAPZ-GSPCLOLRSA-N 1 1 478.976 4.788 50 0 JJAAMO CCCN(CCC)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000247886509 570070534 /nfs/dbraw/zinc/07/05/34/570070534.db2.gz KXVDYRSYRZTVIP-QHCPKHFHSA-N 1 1 462.638 4.954 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccc(OC)cc4)CC3)nc3ccccc32)cc1 ZINC000247893526 570070758 /nfs/dbraw/zinc/07/07/58/570070758.db2.gz NQICZZLEQCXQCP-UHFFFAOYSA-N 1 1 484.600 4.953 50 0 JJAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4OC)C3)nc3ccccc32)cc1 ZINC000247905862 570070913 /nfs/dbraw/zinc/07/09/13/570070913.db2.gz SFWFPVUFBVMJMG-QFIPXVFZSA-N 1 1 484.600 4.953 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4OC)C3)nc3ccccc32)cc1 ZINC000247905862 570070915 /nfs/dbraw/zinc/07/09/15/570070915.db2.gz SFWFPVUFBVMJMG-QFIPXVFZSA-N 1 1 484.600 4.953 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000247985823 570072059 /nfs/dbraw/zinc/07/20/59/570072059.db2.gz INVFYEJRKXCUNN-NRFANRHFSA-N 1 1 480.056 4.831 50 0 JJAAMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988556 570072200 /nfs/dbraw/zinc/07/22/00/570072200.db2.gz JTMQYPCKIRZJKZ-QGZVFWFLSA-N 1 1 455.400 4.525 50 0 JJAAMO CC(C)NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247994762 570072391 /nfs/dbraw/zinc/07/23/91/570072391.db2.gz LXCYZYNXEYXXPO-UHFFFAOYSA-N 1 1 455.400 4.525 50 0 JJAAMO CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248006189 570072667 /nfs/dbraw/zinc/07/26/67/570072667.db2.gz ONFMMFXCNUDMJG-SFHVURJKSA-N 1 1 469.427 4.867 50 0 JJAAMO CC(C)NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248028633 570073081 /nfs/dbraw/zinc/07/30/81/570073081.db2.gz WVTMCXPRNSYNGD-UHFFFAOYSA-N 1 1 455.400 4.525 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000248261758 570077019 /nfs/dbraw/zinc/07/70/19/570077019.db2.gz MOMNTZHQIYJMSS-CGXNFDGLSA-N 1 1 468.475 4.836 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000248261758 570077021 /nfs/dbraw/zinc/07/70/21/570077021.db2.gz MOMNTZHQIYJMSS-CGXNFDGLSA-N 1 1 468.475 4.836 50 0 JJAAMO COc1cc(/C=C/C[N@H+]2CCC[C@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)ccc1O ZINC000252448885 570080936 /nfs/dbraw/zinc/08/09/36/570080936.db2.gz LLNZFEFBTAHAOJ-GVOZXERRSA-N 1 1 455.624 4.663 50 0 JJAAMO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000299766516 570175345 /nfs/dbraw/zinc/17/53/45/570175345.db2.gz JMOBASJMPCGTLB-DICHSLLOSA-N 1 1 497.683 4.882 50 0 JJAAMO CCOc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000008617183 123051960 /nfs/dbraw/zinc/05/19/60/123051960.db2.gz BMLNNUFDLJJCAR-GDLZYMKVSA-N 1 1 499.611 4.814 50 0 aggregator JJAAMO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[N@H+]1CCCC(C)(C)C1 ZINC000002234271 194158566 /nfs/dbraw/zinc/15/85/66/194158566.db2.gz AOWDMULDHNLFER-UHFFFAOYSA-N 1 1 450.377 4.558 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2c(F)cccc2Cl)C(=O)CS3)C1 ZINC000003645484 194348584 /nfs/dbraw/zinc/34/85/84/194348584.db2.gz PPBYPUHDNZHFBK-QGZVFWFLSA-N 1 1 490.044 4.970 50 0 JJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2c(F)cccc2Cl)C(=O)CS3)C1 ZINC000003645482 194348612 /nfs/dbraw/zinc/34/86/12/194348612.db2.gz PPBYPUHDNZHFBK-KRWDZBQOSA-N 1 1 490.044 4.970 50 0 JJAAMO Brc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293428 194668976 /nfs/dbraw/zinc/66/89/76/194668976.db2.gz SHHYMUSYLMQKMA-YADHBBJMSA-N 1 1 458.319 4.648 50 0 JJAAMO COc1ccccc1[C@H](CNc1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl)[NH+]1CCCC1 ZINC000009945368 195030529 /nfs/dbraw/zinc/03/05/29/195030529.db2.gz DUFNLFXLHKJPRJ-SFHVURJKSA-N 1 1 493.917 4.557 50 0 JJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCC(C(=O)N5CCCCC5)CC3)n2)CCC4)CC1 ZINC000012758186 195109665 /nfs/dbraw/zinc/10/96/65/195109665.db2.gz NLCOTZVSLAONRR-UHFFFAOYSA-N 1 1 481.710 4.641 50 0 JJAAMO 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CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206036 520796864 /nfs/dbraw/zinc/79/68/64/520796864.db2.gz TVFAAEGQQZRCLE-GOSISDBHSA-N 1 1 473.639 4.678 50 0 JJAAMO CCC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206036 520796868 /nfs/dbraw/zinc/79/68/68/520796868.db2.gz TVFAAEGQQZRCLE-GOSISDBHSA-N 1 1 473.639 4.678 50 0 JJAAMO CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CC[NH+](CC)CC2)cc1Br ZINC000016383768 520919619 /nfs/dbraw/zinc/91/96/19/520919619.db2.gz GEEZHCPRFANKJI-UHFFFAOYSA-N 1 1 466.807 4.895 50 0 JJAAMO CCCC[C@@H](CC)CNC(=O)C1CC[NH+](Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000012467268 521031559 /nfs/dbraw/zinc/03/15/59/521031559.db2.gz QRPGLNLOEKKKDW-MRXNPFEDSA-N 1 1 455.437 4.708 50 0 JJAAMO CCC[C@H](O)C[N@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206033 521180976 /nfs/dbraw/zinc/18/09/76/521180976.db2.gz TVFAAEGQQZRCLE-SFHVURJKSA-N 1 1 473.639 4.678 50 0 JJAAMO CCC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1 ZINC000036206033 521180987 /nfs/dbraw/zinc/18/09/87/521180987.db2.gz TVFAAEGQQZRCLE-SFHVURJKSA-N 1 1 473.639 4.678 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)CC ZINC000036309237 521535294 /nfs/dbraw/zinc/53/52/94/521535294.db2.gz FHYRAIYUBUFYMA-QPPBQGQZSA-N 1 1 458.668 4.859 50 0 JJAAMO CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@@H+](C)CC3 ZINC000033265611 521554644 /nfs/dbraw/zinc/55/46/44/521554644.db2.gz OXXRRPVFPQXISJ-INIZCTEOSA-N 1 1 464.591 4.812 50 0 JJAAMO CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@H+](C)CC3 ZINC000033265611 521554653 /nfs/dbraw/zinc/55/46/53/521554653.db2.gz OXXRRPVFPQXISJ-INIZCTEOSA-N 1 1 464.591 4.812 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccccc3F)cc2)CC1 ZINC000020415558 521670362 /nfs/dbraw/zinc/67/03/62/521670362.db2.gz VFHFEDPQEATAPH-UHFFFAOYSA-N 1 1 489.620 4.689 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036305875 521678750 /nfs/dbraw/zinc/67/87/50/521678750.db2.gz QRBZJDYISNHMDO-JOCHJYFZSA-N 1 1 467.610 4.886 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccco1 ZINC000036249852 521679501 /nfs/dbraw/zinc/67/95/01/521679501.db2.gz IMBVSDPZULPMAG-QFIPXVFZSA-N 1 1 453.583 4.715 50 0 JJAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000020509006 522089501 /nfs/dbraw/zinc/08/95/01/522089501.db2.gz FJESBMXAQHQHLY-HXUWFJFHSA-N 1 1 473.573 4.623 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303269 522639504 /nfs/dbraw/zinc/63/95/04/522639504.db2.gz YHYQJJSKNMZWPB-HSZRJFAPSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303269 522639510 /nfs/dbraw/zinc/63/95/10/522639510.db2.gz YHYQJJSKNMZWPB-HSZRJFAPSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303186 522639934 /nfs/dbraw/zinc/63/99/34/522639934.db2.gz DNVQTQYSDPLHFU-QHCPKHFHSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000036303186 522639942 /nfs/dbraw/zinc/63/99/42/522639942.db2.gz DNVQTQYSDPLHFU-QHCPKHFHSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036302979 522641454 /nfs/dbraw/zinc/64/14/54/522641454.db2.gz LVRUYPCHKGVIFI-AZGAKELHSA-N 1 1 493.648 4.994 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036302979 522641463 /nfs/dbraw/zinc/64/14/63/522641463.db2.gz LVRUYPCHKGVIFI-AZGAKELHSA-N 1 1 493.648 4.994 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)Cc1ccccc1 ZINC000021864149 522745963 /nfs/dbraw/zinc/74/59/63/522745963.db2.gz KPMIROWAHZZCQL-GDLZYMKVSA-N 1 1 488.632 4.544 50 0 JJAAMO C[N@@H+](CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)Cc1ccccc1 ZINC000033035789 522861718 /nfs/dbraw/zinc/86/17/18/522861718.db2.gz GDVDOZCETXTVQG-AREMUKBSSA-N 1 1 470.617 4.960 50 0 JJAAMO COc1cc2c(c(OCc3ccccc3)c1OC)CC[N@@H+](C)[C@@H]2Cc1ccc(OC(C)=O)cc1 ZINC000004566002 522993420 /nfs/dbraw/zinc/99/34/20/522993420.db2.gz OETZPYPBIYXPFK-RUZDIDTESA-N 1 1 461.558 4.980 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168861 523020878 /nfs/dbraw/zinc/02/08/78/523020878.db2.gz YNUDKDOMOIZYGL-YADHBBJMSA-N 1 1 467.683 4.615 50 0 JJAAMO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370988 523105581 /nfs/dbraw/zinc/10/55/81/523105581.db2.gz UHJMVOIXJUEBBJ-LAUBAEHRSA-N 1 1 470.520 4.764 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)Cc4ccccc4)nc(=O)c23)cc1 ZINC000036206271 523172493 /nfs/dbraw/zinc/17/24/93/523172493.db2.gz PQAVMHNMGWIILN-NRFANRHFSA-N 1 1 477.630 4.722 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036306936 523735193 /nfs/dbraw/zinc/73/51/93/523735193.db2.gz NASHMIUUJAINTQ-QHCPKHFHSA-N 1 1 485.600 4.500 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036306025 523735587 /nfs/dbraw/zinc/73/55/87/523735587.db2.gz XWOGRYPRKUYWSS-JOCHJYFZSA-N 1 1 497.636 4.512 50 0 JJAAMO COCC[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000012244622 523760278 /nfs/dbraw/zinc/76/02/78/523760278.db2.gz FBDUEJNOJLYMGS-HHHXNRCGSA-N 1 1 496.099 4.749 50 0 JJAAMO COCC[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000012244622 523760284 /nfs/dbraw/zinc/76/02/84/523760284.db2.gz FBDUEJNOJLYMGS-HHHXNRCGSA-N 1 1 496.099 4.749 50 0 JJAAMO C[NH+]1CCN(c2nc3ccccc3nc2C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000033086079 523930123 /nfs/dbraw/zinc/93/01/23/523930123.db2.gz OCPMZBFQKWHGHK-UHFFFAOYSA-N 1 1 485.975 4.518 50 0 JJAAMO COc1ccc(CCNC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000016345985 523973902 /nfs/dbraw/zinc/97/39/02/523973902.db2.gz KYGDAHIRBMIQJH-UHFFFAOYSA-N 1 1 475.658 4.528 50 0 JJAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)NCc3cccc(C)c3)c2)CC1 ZINC000034668212 524215935 /nfs/dbraw/zinc/21/59/35/524215935.db2.gz HWISIVHEUTZADM-UHFFFAOYSA-N 1 1 464.009 4.909 50 0 JJAAMO C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022800044 524246440 /nfs/dbraw/zinc/24/64/40/524246440.db2.gz MWNVIPLKQHYKNY-HNNXBMFYSA-N 1 1 456.801 4.670 50 0 JJAAMO Cc1ccc(C[N@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000020467779 524475784 /nfs/dbraw/zinc/47/57/84/524475784.db2.gz JKJHKDBTQIGWGA-UHFFFAOYSA-N 1 1 469.010 4.742 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301982 524694442 /nfs/dbraw/zinc/69/44/42/524694442.db2.gz QKRGENKECUPXEP-QHCPKHFHSA-N 1 1 467.610 4.978 50 0 JJAAMO C[C@@H]1CCc2c(sc3nc(C[N@@H+](C[C@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000036161361 524726020 /nfs/dbraw/zinc/72/60/20/524726020.db2.gz XMOWRIKPWSDFRI-KNQAVFIVSA-N 1 1 495.689 4.822 50 0 JJAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000014986413 524760861 /nfs/dbraw/zinc/76/08/61/524760861.db2.gz ZEKPZIAILKQIHH-MHZLTWQESA-N 1 1 455.558 4.629 50 0 JJAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036306506 524784861 /nfs/dbraw/zinc/78/48/61/524784861.db2.gz XWOOFBOABZCMQQ-AHWVRZQESA-N 1 1 493.648 4.955 50 0 JJAAMO COc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000016217218 524936663 /nfs/dbraw/zinc/93/66/63/524936663.db2.gz ABLWKYSLTNMNNY-UHFFFAOYSA-N 1 1 465.981 4.688 50 0 JJAAMO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304491 524989588 /nfs/dbraw/zinc/98/95/88/524989588.db2.gz HKYHKXKRDNDRQO-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304491 524989598 /nfs/dbraw/zinc/98/95/98/524989598.db2.gz HKYHKXKRDNDRQO-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1OC ZINC000038546517 525211179 /nfs/dbraw/zinc/21/11/79/525211179.db2.gz WTLORLJEMMPLPQ-VWLOTQADSA-N 1 1 495.645 4.826 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2OC)cc1 ZINC000002449906 525229419 /nfs/dbraw/zinc/22/94/19/525229419.db2.gz XODIDTGDMYECJI-RSXGOPAZSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc2cc(CN(C(=O)[C@H]3CCCC[N@H+]3C)C3CC3)c(N(C)Cc3csc(C)n3)nc2c1 ZINC000012510320 525622850 /nfs/dbraw/zinc/62/28/50/525622850.db2.gz ZMSTXPPQHVXLST-RUZDIDTESA-N 1 1 493.677 4.620 50 0 JJAAMO COc1cccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206379 525717582 /nfs/dbraw/zinc/71/75/82/525717582.db2.gz URMUKZBIMVZATM-HXUWFJFHSA-N 1 1 499.677 4.971 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000033139721 525828217 /nfs/dbraw/zinc/82/82/17/525828217.db2.gz GAVPIHWXEDVFKH-UHFFFAOYSA-N 1 1 474.996 4.910 50 0 JJAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@H](C)Oc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000012453753 525951414 /nfs/dbraw/zinc/95/14/14/525951414.db2.gz HNHKKUOSKFQGJX-KRWDZBQOSA-N 1 1 480.012 4.693 50 0 JJAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@H](C)Oc1cccc(C[N@@H+](C)Cc2cnn(C)c2)c1 ZINC000012453753 525951426 /nfs/dbraw/zinc/95/14/26/525951426.db2.gz HNHKKUOSKFQGJX-KRWDZBQOSA-N 1 1 480.012 4.693 50 0 JJAAMO Cc1cc(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CC[N@@H+](Cc5ccccc5)C4)c3C3CC3)n2)c(C)s1 ZINC000012245875 526043449 /nfs/dbraw/zinc/04/34/49/526043449.db2.gz FJEJSMDICHPGQX-JOCHJYFZSA-N 1 1 498.656 4.889 50 0 JJAAMO C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022800048 526126362 /nfs/dbraw/zinc/12/63/62/526126362.db2.gz MWNVIPLKQHYKNY-OAHLLOKOSA-N 1 1 456.801 4.670 50 0 JJAAMO Cc1cc(=O)c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000014994379 526128184 /nfs/dbraw/zinc/12/81/84/526128184.db2.gz LSNPKBWELAYNGL-UUOWRZLLSA-N 1 1 479.671 4.669 50 0 JJAAMO Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CC[NH+](Cc3cc(F)ccc3F)CC2)n(C)n1 ZINC000012197114 526227730 /nfs/dbraw/zinc/22/77/30/526227730.db2.gz DIFSYAOYBCTFNH-RUZDIDTESA-N 1 1 466.576 4.602 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115985 526249336 /nfs/dbraw/zinc/24/93/36/526249336.db2.gz UFUFTQYDBKMXNG-NRFANRHFSA-N 1 1 488.632 4.728 50 0 JJAAMO O=C([C@@H]1CCCN(c2ncnc3c2sc2cccc(F)c23)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020415148 526471228 /nfs/dbraw/zinc/47/12/28/526471228.db2.gz IPFDDRBGQRBWES-HXUWFJFHSA-N 1 1 489.620 4.544 50 0 JJAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021805236 526490735 /nfs/dbraw/zinc/49/07/35/526490735.db2.gz WBODINCEVNNABW-NRFANRHFSA-N 1 1 467.953 4.723 50 0 JJAAMO O=C(c1cc(-c2cccnc2)nc2ccc(Cl)cc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016392625 526594000 /nfs/dbraw/zinc/59/40/00/526594000.db2.gz FCIAHVVNAPRLBV-UHFFFAOYSA-N 1 1 456.977 4.951 50 0 JJAAMO O=C(c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000064989498 526650946 /nfs/dbraw/zinc/65/09/46/526650946.db2.gz DAPKXFVEARBRSP-UHFFFAOYSA-N 1 1 455.606 4.846 50 0 JJAAMO O=C(CCc1nc2ccccc2s1)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014981433 526655473 /nfs/dbraw/zinc/65/54/73/526655473.db2.gz CVGQSUHWESBASQ-XMMPIXPASA-N 1 1 457.599 4.981 50 0 JJAAMO O=C(c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1)N1CCN(Cc2ccccc2)CC1 ZINC000034684605 526754680 /nfs/dbraw/zinc/75/46/80/526754680.db2.gz WTSSWYABOBSMMO-UHFFFAOYSA-N 1 1 489.063 4.620 50 0 JJAAMO O=C(c1ccco1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014995367 526827617 /nfs/dbraw/zinc/82/76/17/526827617.db2.gz LQRPNZBCGZCCSF-HSZRJFAPSA-N 1 1 477.580 4.672 50 0 JJAAMO O=C(NCc1nccs1)c1nn(CC2CC2)c2c1C[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014750816 526832788 /nfs/dbraw/zinc/83/27/88/526832788.db2.gz HUXYOSJEWPALNF-UHFFFAOYSA-N 1 1 495.652 4.809 50 0 JJAAMO O=C(NCc1nccs1)c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014750816 526832794 /nfs/dbraw/zinc/83/27/94/526832794.db2.gz HUXYOSJEWPALNF-UHFFFAOYSA-N 1 1 495.652 4.809 50 0 JJAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014748766 527202570 /nfs/dbraw/zinc/20/25/70/527202570.db2.gz SVLLXOAUUFNJFW-RPWUZVMVSA-N 1 1 459.565 4.678 50 0 JJAAMO O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000016475432 527411065 /nfs/dbraw/zinc/41/10/65/527411065.db2.gz LUUXMIADBJZJAV-UHFFFAOYSA-N 1 1 476.580 4.822 50 0 JJAAMO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071555 527660553 /nfs/dbraw/zinc/66/05/53/527660553.db2.gz ANTNLJHLBVGUKP-QHCPKHFHSA-N 1 1 494.083 4.894 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146610 527662139 /nfs/dbraw/zinc/66/21/39/527662139.db2.gz LRGYSYKCDRFIPL-NOZRDPDXSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146610 527662142 /nfs/dbraw/zinc/66/21/42/527662142.db2.gz LRGYSYKCDRFIPL-NOZRDPDXSA-N 1 1 468.956 4.914 50 0 JJAAMO FC(F)(F)c1cc(NC(=S)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc(C(F)(F)F)c1 ZINC000020412843 527680662 /nfs/dbraw/zinc/68/06/62/527680662.db2.gz UVXSBFGZBVISCS-QGZVFWFLSA-N 1 1 469.495 4.998 50 0 JJAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 ZINC000000635826 553720952 /nfs/dbraw/zinc/72/09/52/553720952.db2.gz SRMFKPUFIGVFKI-CLJLJLNGSA-N 1 1 468.513 4.517 50 0 JJAAMO COC(=O)CN1C(c2cc(OC)c(OC)c(OC)c2)=[NH+]c2ccc(C)cc2[C@H]1c1ccccc1 ZINC000000845526 553796194 /nfs/dbraw/zinc/79/61/94/553796194.db2.gz QBNORYKAJBUHON-RUZDIDTESA-N 1 1 460.530 4.677 50 0 JJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002194294 554088347 /nfs/dbraw/zinc/08/83/47/554088347.db2.gz XJIORAVYJZUKIU-QFIPXVFZSA-N 1 1 498.004 4.861 50 0 JJAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002194294 554088349 /nfs/dbraw/zinc/08/83/49/554088349.db2.gz XJIORAVYJZUKIU-QFIPXVFZSA-N 1 1 498.004 4.861 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000002202002 554091283 /nfs/dbraw/zinc/09/12/83/554091283.db2.gz MWPDSDDFEAWXEZ-SVBPBHIXSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000002216908 554098173 /nfs/dbraw/zinc/09/81/73/554098173.db2.gz BZTQSRGZOHJCHV-IZZNHLLZSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002238929 554108680 /nfs/dbraw/zinc/10/86/80/554108680.db2.gz GWRBPKPTDJEIQU-UIOOFZCWSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(OC)c2OC)cc1 ZINC000002336638 554154107 /nfs/dbraw/zinc/15/41/07/554154107.db2.gz RISDJDSBPHYMHP-BDYUSTAISA-N 1 1 482.540 4.825 50 0 JJAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1OC ZINC000002372618 554171526 /nfs/dbraw/zinc/17/15/26/554171526.db2.gz NXOCRZJCCWHWRP-RRPNLBNLSA-N 1 1 482.540 4.907 50 0 JJAAMO COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002395491 554182280 /nfs/dbraw/zinc/18/22/80/554182280.db2.gz XRVFKZFVPOGUSI-SXOMAYOGSA-N 1 1 498.539 4.525 50 0 JJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000002738092 554320258 /nfs/dbraw/zinc/32/02/58/554320258.db2.gz MJJOOAJVLYCVGG-LJQANCHMSA-N 1 1 463.481 4.781 50 0 JJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000002738092 554320260 /nfs/dbraw/zinc/32/02/60/554320260.db2.gz MJJOOAJVLYCVGG-LJQANCHMSA-N 1 1 463.481 4.781 50 0 JJAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(OC)c(OCC(C)C)c3)C2)cc1OC ZINC000006134872 554506783 /nfs/dbraw/zinc/50/67/83/554506783.db2.gz ITCQFZZVZPVGGY-HXUWFJFHSA-N 1 1 456.583 4.598 50 0 JJAAMO Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000006577857 554553601 /nfs/dbraw/zinc/55/36/01/554553601.db2.gz KJLIIGFWXGJRGV-UHFFFAOYSA-N 1 1 486.660 4.951 50 0 JJAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc(Br)c4)cc2)N3)C1 ZINC000008448853 554595842 /nfs/dbraw/zinc/59/58/42/554595842.db2.gz IMJGKMORAJVNMO-HXUWFJFHSA-N 1 1 498.402 4.572 50 0 JJAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc(Br)c4)cc2)N3)C1 ZINC000008448853 554595844 /nfs/dbraw/zinc/59/58/44/554595844.db2.gz IMJGKMORAJVNMO-HXUWFJFHSA-N 1 1 498.402 4.572 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(=O)n1CC(=O)Nc1ccc(C)cc1Br ZINC000008751264 554653218 /nfs/dbraw/zinc/65/32/18/554653218.db2.gz PNFRWHOSBQNBHO-UHFFFAOYSA-N 1 1 491.455 4.626 50 0 JJAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008767551 554668181 /nfs/dbraw/zinc/66/81/81/554668181.db2.gz JXSHHRALBBBLBK-HXUWFJFHSA-N 1 1 450.888 4.945 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccc(F)cc3)cc2)CC1 ZINC000008913619 554806604 /nfs/dbraw/zinc/80/66/04/554806604.db2.gz GWLRDHWRXNKXIX-UHFFFAOYSA-N 1 1 489.620 4.689 50 0 JJAAMO COc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1F ZINC000009008051 554862235 /nfs/dbraw/zinc/86/22/35/554862235.db2.gz JMOKPOVGXFKFTQ-UHFFFAOYSA-N 1 1 452.530 4.967 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1)Cc1ccccc1 ZINC000009115587 554902416 /nfs/dbraw/zinc/90/24/16/554902416.db2.gz QLFGIQFTGITXLP-SSEXGKCCSA-N 1 1 489.435 4.602 50 0 JJAAMO CC[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115665 554902590 /nfs/dbraw/zinc/90/25/90/554902590.db2.gz AXZIOPLMSWBUII-WJOKGBTCSA-N 1 1 459.011 4.883 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)CC1 ZINC000009265280 555041114 /nfs/dbraw/zinc/04/11/14/555041114.db2.gz ZWVTXAZTNOUIJK-UHFFFAOYSA-N 1 1 469.607 4.710 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1 ZINC000009265368 555041361 /nfs/dbraw/zinc/04/13/61/555041361.db2.gz HPEIVDYTMZQHPB-UHFFFAOYSA-N 1 1 499.558 4.926 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1OC ZINC000009292314 555067608 /nfs/dbraw/zinc/06/76/08/555067608.db2.gz WTHPNCDVIMRTPD-RPBOFIJWSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000009345004 555110568 /nfs/dbraw/zinc/11/05/68/555110568.db2.gz WFINIUBSIDPZTK-IZZNHLLZSA-N 1 1 468.513 4.517 50 0 JJAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1OC ZINC000009345322 555111432 /nfs/dbraw/zinc/11/14/32/555111432.db2.gz RQUKDUMOLOLWRW-RRPNLBNLSA-N 1 1 482.540 4.907 50 0 JJAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000009428333 555193952 /nfs/dbraw/zinc/19/39/52/555193952.db2.gz DDACZAYZADPJCI-MUUNZHRXSA-N 1 1 498.623 4.755 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433684 555204087 /nfs/dbraw/zinc/20/40/87/555204087.db2.gz HDBWJRWHMUNQDF-UKDVSSAZSA-N 1 1 465.663 4.962 50 0 JJAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000009451072 555223375 /nfs/dbraw/zinc/22/33/75/555223375.db2.gz QTQKHZHSSYTHPZ-JOCHJYFZSA-N 1 1 465.619 4.857 50 0 JJAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000009451072 555223378 /nfs/dbraw/zinc/22/33/78/555223378.db2.gz QTQKHZHSSYTHPZ-JOCHJYFZSA-N 1 1 465.619 4.857 50 0 JJAAMO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)cc2)n1 ZINC000009451074 555223482 /nfs/dbraw/zinc/22/34/82/555223482.db2.gz HVOLPCPVFVFQEJ-UHFFFAOYSA-N 1 1 456.512 4.856 50 0 JJAAMO CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009501926 555286339 /nfs/dbraw/zinc/28/63/39/555286339.db2.gz FCLAGFYWERQWKD-UHFFFAOYSA-N 1 1 472.029 4.673 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000013163406 555361289 /nfs/dbraw/zinc/36/12/89/555361289.db2.gz SEKLUYQSPJBHSM-UHFFFAOYSA-N 1 1 485.632 4.592 50 0 JJAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000009671560 555391513 /nfs/dbraw/zinc/39/15/13/555391513.db2.gz JFQMCWBZNSLXBW-JOCHJYFZSA-N 1 1 452.558 4.552 50 0 JJAAMO CCCC[N@@H+](CC)CCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000013497074 555412552 /nfs/dbraw/zinc/41/25/52/555412552.db2.gz IWTJJTJNJCWHLK-UHFFFAOYSA-N 1 1 471.646 4.828 50 0 JJAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000009723774 555455682 /nfs/dbraw/zinc/45/56/82/555455682.db2.gz NGDDMZLJONXUDM-FQEVSTJZSA-N 1 1 465.575 4.793 50 0 JJAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000009723774 555455685 /nfs/dbraw/zinc/45/56/85/555455685.db2.gz NGDDMZLJONXUDM-FQEVSTJZSA-N 1 1 465.575 4.793 50 0 JJAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000009731833 555468938 /nfs/dbraw/zinc/46/89/38/555468938.db2.gz PINVECCUNJYJJD-WOJBJXKFSA-N 1 1 487.088 5.000 50 0 JJAAMO C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013522628 555486372 /nfs/dbraw/zinc/48/63/72/555486372.db2.gz DTRBTLQIJLJEJJ-QFIPXVFZSA-N 1 1 454.574 4.521 50 0 JJAAMO Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019855630 555513092 /nfs/dbraw/zinc/51/30/92/555513092.db2.gz DGKLYFVDIYJAGU-UHFFFAOYSA-N 1 1 476.930 4.798 50 0 JJAAMO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](CCO)CC2)cc1 ZINC000019880243 555525611 /nfs/dbraw/zinc/52/56/11/555525611.db2.gz SXWKTUITQAVEGZ-AREMUKBSSA-N 1 1 493.673 4.715 50 0 JJAAMO CCc1cc([C@@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880695 555525909 /nfs/dbraw/zinc/52/59/09/555525909.db2.gz LUOSUDHJAGZQKT-XMMPIXPASA-N 1 1 484.065 4.916 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000013629960 555541149 /nfs/dbraw/zinc/54/11/49/555541149.db2.gz FQTZYOKHLJMFOB-LJQANCHMSA-N 1 1 462.521 4.797 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009836170 555541489 /nfs/dbraw/zinc/54/14/89/555541489.db2.gz JAPLKVOECNCFET-VOIUYBSRSA-N 1 1 491.419 4.571 50 0 JJAAMO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000013759442 555612269 /nfs/dbraw/zinc/61/22/69/555612269.db2.gz DJMFSEKRFSDDHX-XDAJTCOGSA-N 1 1 458.558 4.875 50 0 JJAAMO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000013759442 555612272 /nfs/dbraw/zinc/61/22/72/555612272.db2.gz DJMFSEKRFSDDHX-XDAJTCOGSA-N 1 1 458.558 4.875 50 0 JJAAMO COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(CCC[NH+]4CCOCC4)c(=N)c32)cc1 ZINC000013779282 555618246 /nfs/dbraw/zinc/61/82/46/555618246.db2.gz MBWFNDJRPFSHPU-VWLOTQADSA-N 1 1 482.584 4.533 50 0 JJAAMO CN1CC[NH+](CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107701 555641875 /nfs/dbraw/zinc/64/18/75/555641875.db2.gz YLXCJNUZJGTIDE-UHFFFAOYSA-N 1 1 464.635 4.908 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116159 555653659 /nfs/dbraw/zinc/65/36/59/555653659.db2.gz QWAOVVDXYJPXGJ-RSHLGWRZSA-N 1 1 465.682 4.509 50 0 JJAAMO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020117750 555654813 /nfs/dbraw/zinc/65/48/13/555654813.db2.gz DMLMSZNLJAEACU-JIKPSSBFSA-N 1 1 464.625 4.855 50 0 JJAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020129931 555655786 /nfs/dbraw/zinc/65/57/86/555655786.db2.gz CMIBTSDRLYJTPQ-NDBXHCKUSA-N 1 1 483.955 4.803 50 0 JJAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020129931 555655787 /nfs/dbraw/zinc/65/57/87/555655787.db2.gz CMIBTSDRLYJTPQ-NDBXHCKUSA-N 1 1 483.955 4.803 50 0 JJAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000020181659 555689163 /nfs/dbraw/zinc/68/91/63/555689163.db2.gz BDRXSWSMMUCEQE-ZXVVBBHZSA-N 1 1 485.653 4.977 50 0 JJAAMO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCC[N@H+]3CCc4ccccc4C3)cc12 ZINC000020183153 555689952 /nfs/dbraw/zinc/68/99/52/555689952.db2.gz HQVCAJLJXVFYHX-UHFFFAOYSA-N 1 1 459.663 4.878 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000014241001 555742166 /nfs/dbraw/zinc/74/21/66/555742166.db2.gz BLWWTQSIFCHOJA-SQJMNOBHSA-N 1 1 454.567 4.947 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000020289758 555761293 /nfs/dbraw/zinc/76/12/93/555761293.db2.gz UBZNCCKXJUMKOP-MHECFPHRSA-N 1 1 453.583 4.578 50 0 JJAAMO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(C(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)c1 ZINC000020293871 555762667 /nfs/dbraw/zinc/76/26/67/555762667.db2.gz WXMQGSILTUSWHJ-VWLOTQADSA-N 1 1 479.020 4.750 50 0 JJAAMO CC(=O)c1cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cs1 ZINC000020351659 555780041 /nfs/dbraw/zinc/78/00/41/555780041.db2.gz JBZHVAUXDOICSQ-OAQYLSRUSA-N 1 1 451.558 4.756 50 0 JJAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnc(N(C)C)s4)C3)cc2)c1 ZINC000011662042 555794579 /nfs/dbraw/zinc/79/45/79/555794579.db2.gz UREGFVWYXNOKMA-FQEVSTJZSA-N 1 1 450.608 4.735 50 0 JJAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnc(N(C)C)s4)C3)cc2)c1 ZINC000011662043 555794740 /nfs/dbraw/zinc/79/47/40/555794740.db2.gz UREGFVWYXNOKMA-HXUWFJFHSA-N 1 1 450.608 4.735 50 0 JJAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c2ccccc12 ZINC000011784948 555816912 /nfs/dbraw/zinc/81/69/12/555816912.db2.gz NHFZSCFXMPQIPJ-CYFREDJKSA-N 1 1 474.630 4.985 50 0 JJAAMO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011786610 555820314 /nfs/dbraw/zinc/82/03/14/555820314.db2.gz PWLIWYBIUAJLRL-HSZRJFAPSA-N 1 1 494.643 4.904 50 0 JJAAMO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c12 ZINC000020579137 555834009 /nfs/dbraw/zinc/83/40/09/555834009.db2.gz IJXLXWAQNVXAFU-KRWDZBQOSA-N 1 1 454.018 4.993 50 0 JJAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)CC1 ZINC000020597583 555839279 /nfs/dbraw/zinc/83/92/79/555839279.db2.gz QJJYESUNFMQQHR-UHFFFAOYSA-N 1 1 467.057 4.717 50 0 JJAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cn1 ZINC000015000592 555845359 /nfs/dbraw/zinc/84/53/59/555845359.db2.gz JREHEUIYLUCZQT-VXKWHMMOSA-N 1 1 479.650 4.630 50 0 JJAAMO Cc1csc(C[N@H+](C)[C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)n1 ZINC000015000998 555845866 /nfs/dbraw/zinc/84/58/66/555845866.db2.gz GHJPJWRZVONYTF-SFHVURJKSA-N 1 1 468.623 4.594 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CC[N@H+]1CCCC[C@H]1C)C3=O ZINC000020903221 555848784 /nfs/dbraw/zinc/84/87/84/555848784.db2.gz DFZWUBQPEXQPLL-ONOMSOESSA-N 1 1 494.680 4.578 50 0 JJAAMO COc1cccc(-n2c(SCC[NH+]3CCCC3)nnc2C2CCN(Cc3ccccc3F)CC2)c1 ZINC000015006251 555850899 /nfs/dbraw/zinc/85/08/99/555850899.db2.gz JZNIFABMTDXFLU-UHFFFAOYSA-N 1 1 495.668 4.983 50 0 JJAAMO CSc1ccc2cc(C[NH2+][C@H]3CCS(=O)(=O)C3)c(OCc3cccc(C(F)(F)F)c3)nc2c1 ZINC000011910727 555858249 /nfs/dbraw/zinc/85/82/49/555858249.db2.gz LQIKWDMESPXCRD-IBGZPJMESA-N 1 1 496.576 4.831 50 0 JJAAMO O[C@H](CO[C@@H]1CCCc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039057 555865522 /nfs/dbraw/zinc/86/55/22/555865522.db2.gz DIFYWVGMEXSQHY-LMSSTIIKSA-N 1 1 456.630 4.849 50 0 JJAAMO O=C(c1nc2sccn2c1C[N@@H+]1CCCN(c2ccccc2)CC1)N1CCCCCCC1 ZINC000015073382 555871963 /nfs/dbraw/zinc/87/19/63/555871963.db2.gz NUCCNTXAUQTXKK-UHFFFAOYSA-N 1 1 451.640 4.514 50 0 JJAAMO O=C(c1nc2sccn2c1C[N@H+]1CCCN(c2ccccc2)CC1)N1CCCCCCC1 ZINC000015073382 555871965 /nfs/dbraw/zinc/87/19/65/555871965.db2.gz NUCCNTXAUQTXKK-UHFFFAOYSA-N 1 1 451.640 4.514 50 0 JJAAMO O=C(c1cccs1)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000022096070 555873628 /nfs/dbraw/zinc/87/36/28/555873628.db2.gz DWIMLZOEFAFYAG-UHFFFAOYSA-N 1 1 473.642 4.534 50 0 JJAAMO O=C(COc1ccccc1)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3c(F)cccc3Cl)CC2)[C@H]1O ZINC000012005192 555883468 /nfs/dbraw/zinc/88/34/68/555883468.db2.gz MWDAKODDJMHLQS-SXOMAYOGSA-N 1 1 494.994 4.624 50 0 JJAAMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000015218063 555884888 /nfs/dbraw/zinc/88/48/88/555884888.db2.gz YUYSCPKGYYZOFC-UHFFFAOYSA-N 1 1 462.593 4.856 50 0 JJAAMO O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc4[nH]ccc4c2)CCO3)C1 ZINC000012078429 555902492 /nfs/dbraw/zinc/90/24/92/555902492.db2.gz KSWQTPZSJONFPM-VWLOTQADSA-N 1 1 494.595 4.693 50 0 JJAAMO COC(=O)c1ccc(CN2CC[C@H]([N@@H+](C)CCC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 ZINC000012128043 555910729 /nfs/dbraw/zinc/91/07/29/555910729.db2.gz SFWRUYICLLASCP-NYKZCTJWSA-N 1 1 452.639 4.893 50 0 JJAAMO COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3ccc(-c4ccco4)cc3)C2)cc1 ZINC000012190425 555937502 /nfs/dbraw/zinc/93/75/02/555937502.db2.gz ZEWDRQRZTJNTMT-RPBOFIJWSA-N 1 1 458.558 4.860 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000012342382 555955286 /nfs/dbraw/zinc/95/52/86/555955286.db2.gz DOWCVTDFENAPNN-OAQYLSRUSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000012342382 555955289 /nfs/dbraw/zinc/95/52/89/555955289.db2.gz DOWCVTDFENAPNN-OAQYLSRUSA-N 1 1 453.995 4.564 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)C1 ZINC000015732341 555976670 /nfs/dbraw/zinc/97/66/70/555976670.db2.gz MIIUCLIZZUYABV-OAQYLSRUSA-N 1 1 492.689 4.782 50 0 JJAAMO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022936073 555988787 /nfs/dbraw/zinc/98/87/87/555988787.db2.gz USZMJNUCTVKNJX-SYAXVNJYSA-N 1 1 460.662 4.712 50 0 JJAAMO COc1ccc(-c2nc3ccccc3c(NCCCN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000022937862 555991007 /nfs/dbraw/zinc/99/10/07/555991007.db2.gz YGHZZGRVYCKYRZ-UHFFFAOYSA-N 1 1 467.617 4.925 50 0 JJAAMO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)c1C ZINC000012521122 555992323 /nfs/dbraw/zinc/99/23/23/555992323.db2.gz VCJLJFZAWRXHGW-DEOSSOPVSA-N 1 1 481.618 4.654 50 0 JJAAMO C[N@@H+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)[C@H](c2ccccc2)C1 ZINC000012527764 555996264 /nfs/dbraw/zinc/99/62/64/555996264.db2.gz LZGJMDYJTILBJS-NDEPHWFRSA-N 1 1 488.595 4.671 50 0 JJAAMO C[N@H+]1CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)[C@H](c2ccccc2)C1 ZINC000012527764 555996270 /nfs/dbraw/zinc/99/62/70/555996270.db2.gz LZGJMDYJTILBJS-NDEPHWFRSA-N 1 1 488.595 4.671 50 0 JJAAMO O=C(CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000023005472 555999538 /nfs/dbraw/zinc/99/95/38/555999538.db2.gz RKVDOIOXPLRAFS-UHFFFAOYSA-N 1 1 463.965 4.919 50 0 JJAAMO Cc1csc(C[N@H+](C)[C@H]2CCc3c(sc4ncn(Cc5cccc(Cl)c5)c(=O)c34)C2)n1 ZINC000023130117 556019225 /nfs/dbraw/zinc/01/92/25/556019225.db2.gz SMBSWNNOSAUBRY-KRWDZBQOSA-N 1 1 471.051 4.914 50 0 JJAAMO COc1ccc(CC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000023181474 556027997 /nfs/dbraw/zinc/02/79/97/556027997.db2.gz YDZRGINZHUQZKC-NIYFSFCBSA-N 1 1 467.610 4.507 50 0 JJAAMO Cc1noc(CSc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000023182779 556028991 /nfs/dbraw/zinc/02/89/91/556028991.db2.gz VBKOAPSIHVKVCP-UHFFFAOYSA-N 1 1 456.999 4.672 50 0 JJAAMO Cc1noc(CSc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000023182779 556028995 /nfs/dbraw/zinc/02/89/95/556028995.db2.gz VBKOAPSIHVKVCP-UHFFFAOYSA-N 1 1 456.999 4.672 50 0 JJAAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)N1)OCCCO4 ZINC000012549527 556029525 /nfs/dbraw/zinc/02/95/25/556029525.db2.gz ZMRPUGZRPROGLY-QHCPKHFHSA-N 1 1 493.926 4.665 50 0 JJAAMO CC(C)[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@@H](O)COc1cccc2ccccc21 ZINC000012550212 556030932 /nfs/dbraw/zinc/03/09/32/556030932.db2.gz DQYQYRAEMPPNHJ-DHIUTWEWSA-N 1 1 457.998 4.521 50 0 JJAAMO COc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1Br ZINC000023283458 556038046 /nfs/dbraw/zinc/03/80/46/556038046.db2.gz JQQQJGZHFCMINV-UHFFFAOYSA-N 1 1 455.190 4.704 50 0 JJAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023333129 556043393 /nfs/dbraw/zinc/04/33/93/556043393.db2.gz ZDLUJJMVZWHAIW-DEOSSOPVSA-N 1 1 457.622 4.948 50 0 JJAAMO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023333129 556043398 /nfs/dbraw/zinc/04/33/98/556043398.db2.gz ZDLUJJMVZWHAIW-DEOSSOPVSA-N 1 1 457.622 4.948 50 0 JJAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023333129 556043402 /nfs/dbraw/zinc/04/34/02/556043402.db2.gz ZDLUJJMVZWHAIW-DEOSSOPVSA-N 1 1 457.622 4.948 50 0 JJAAMO Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000012569385 556071712 /nfs/dbraw/zinc/07/17/12/556071712.db2.gz VINLNPJMQWPRST-UHFFFAOYSA-N 1 1 456.633 4.593 50 0 JJAAMO O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1cccs1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000012569384 556071840 /nfs/dbraw/zinc/07/18/40/556071840.db2.gz GAMNZOUBAODDNT-UHFFFAOYSA-N 1 1 481.014 4.768 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000015944514 556080828 /nfs/dbraw/zinc/08/08/28/556080828.db2.gz IASAVWBJKSJBLV-WOJBJXKFSA-N 1 1 487.088 5.000 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[N@@H+]1CCCC[C@@H]1C)CCC2 ZINC000015946656 556083239 /nfs/dbraw/zinc/08/32/39/556083239.db2.gz VJDWFDNZKXFNAL-AWEZNQCLSA-N 1 1 462.015 4.964 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[N@H+]1CCCC[C@@H]1C)CCC2 ZINC000015946656 556083244 /nfs/dbraw/zinc/08/32/44/556083244.db2.gz VJDWFDNZKXFNAL-AWEZNQCLSA-N 1 1 462.015 4.964 50 0 JJAAMO COc1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[C@@H](C)CC2 ZINC000015946914 556084047 /nfs/dbraw/zinc/08/40/47/556084047.db2.gz RGECERTXTIRIDW-KRWDZBQOSA-N 1 1 455.624 4.948 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001594 556106940 /nfs/dbraw/zinc/10/69/40/556106940.db2.gz SJKMJYHPFIFAPZ-AFXVXQJMSA-N 1 1 478.976 4.788 50 0 JJAAMO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000016001594 556106943 /nfs/dbraw/zinc/10/69/43/556106943.db2.gz SJKMJYHPFIFAPZ-AFXVXQJMSA-N 1 1 478.976 4.788 50 0 JJAAMO Cc1nnc(SCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1Cc1ccccc1 ZINC000023983224 556111090 /nfs/dbraw/zinc/11/10/90/556111090.db2.gz NKKHQFXXYIDSIG-UHFFFAOYSA-N 1 1 497.668 4.661 50 0 JJAAMO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@@H+](C(C)C)C1CC1 ZINC000024754627 556149984 /nfs/dbraw/zinc/14/99/84/556149984.db2.gz OBPPQCXQAJJVRD-UHFFFAOYSA-N 1 1 471.623 4.914 50 0 JJAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)CC1 ZINC000012942367 556155608 /nfs/dbraw/zinc/15/56/08/556155608.db2.gz IVFFMKQWBPXUSJ-UHFFFAOYSA-N 1 1 472.633 4.535 50 0 JJAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)CC1 ZINC000012942367 556155611 /nfs/dbraw/zinc/15/56/11/556155611.db2.gz IVFFMKQWBPXUSJ-UHFFFAOYSA-N 1 1 472.633 4.535 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000012946089 556157673 /nfs/dbraw/zinc/15/76/73/556157673.db2.gz XVLNEXVONDMJHI-YIXXDRMTSA-N 1 1 456.590 4.600 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000012946089 556157676 /nfs/dbraw/zinc/15/76/76/556157676.db2.gz XVLNEXVONDMJHI-YIXXDRMTSA-N 1 1 456.590 4.600 50 0 JJAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000024923829 556163469 /nfs/dbraw/zinc/16/34/69/556163469.db2.gz QEOZODXRZRHLRS-VWLOTQADSA-N 1 1 493.007 4.778 50 0 JJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c2cccs2)cc1 ZINC000012975541 556167873 /nfs/dbraw/zinc/16/78/73/556167873.db2.gz RSUPJIFEFOZUPS-QFIPXVFZSA-N 1 1 471.508 4.974 50 0 JJAAMO O=C(c1ccco1)N1CCC(Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000012978081 556170935 /nfs/dbraw/zinc/17/09/35/556170935.db2.gz ZTOQUHSOEWHAJO-UHFFFAOYSA-N 1 1 479.650 4.866 50 0 JJAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000016891037 556172071 /nfs/dbraw/zinc/17/20/71/556172071.db2.gz BLTUPTWIHLJRPZ-AVRWGWEMSA-N 1 1 483.609 4.586 50 0 JJAAMO COc1cccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016891102 556172091 /nfs/dbraw/zinc/17/20/91/556172091.db2.gz JGBBDVWNWNJPPK-MHECFPHRSA-N 1 1 453.583 4.578 50 0 JJAAMO C[C@@H](NC(=O)Cc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891019 556172203 /nfs/dbraw/zinc/17/22/03/556172203.db2.gz SBACLNAHGAEYAL-CJAUYULYSA-N 1 1 455.574 4.637 50 0 JJAAMO COc1ccccc1C(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891139 556172610 /nfs/dbraw/zinc/17/26/10/556172610.db2.gz ISUXUBYNFDANJC-HOYKHHGWSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccc(CN(C)C(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1OC ZINC000025042960 556173294 /nfs/dbraw/zinc/17/32/94/556173294.db2.gz VAGLINJRNWJFEH-UHFFFAOYSA-N 1 1 474.026 4.805 50 0 JJAAMO C[N@@H+](CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)Cc1ccccc1 ZINC000025045220 556173587 /nfs/dbraw/zinc/17/35/87/556173587.db2.gz YPKAAOQEFTYOGZ-UHFFFAOYSA-N 1 1 471.630 4.665 50 0 JJAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012994340 556186782 /nfs/dbraw/zinc/18/67/82/556186782.db2.gz AAZRHAYJTMRFEF-CPJSRVTESA-N 1 1 452.551 4.701 50 0 JJAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957643 556188924 /nfs/dbraw/zinc/18/89/24/556188924.db2.gz NCKKYGLSEXQYJW-IFXJQAMLSA-N 1 1 451.857 4.947 50 0 JJAAMO O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000013010679 556202967 /nfs/dbraw/zinc/20/29/67/556202967.db2.gz IJRULZYFSHLOTI-HXUWFJFHSA-N 1 1 460.628 4.841 50 0 JJAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)cc1 ZINC000017042636 556208973 /nfs/dbraw/zinc/20/89/73/556208973.db2.gz ZNSKUPKKBBLULH-UHFFFAOYSA-N 1 1 455.484 4.818 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccccc2Cl)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296978 556252456 /nfs/dbraw/zinc/25/24/56/556252456.db2.gz HTGJMEDHKIHWQG-XMMPIXPASA-N 1 1 484.980 4.522 50 0 JJAAMO CCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1OCC ZINC000017315436 556257416 /nfs/dbraw/zinc/25/74/16/556257416.db2.gz GBQCRVVAHVGCOY-UHFFFAOYSA-N 1 1 475.593 4.597 50 0 JJAAMO CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000013108516 556305859 /nfs/dbraw/zinc/30/58/59/556305859.db2.gz AWJJLTUWXUNQHD-QFIPXVFZSA-N 1 1 477.992 4.566 50 0 JJAAMO CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000013108516 556305863 /nfs/dbraw/zinc/30/58/63/556305863.db2.gz AWJJLTUWXUNQHD-QFIPXVFZSA-N 1 1 477.992 4.566 50 0 JJAAMO O=c1[nH]c(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nc2ccccc12 ZINC000027903642 556309588 /nfs/dbraw/zinc/30/95/88/556309588.db2.gz BNYPSOHYZLOIMM-UHFFFAOYSA-N 1 1 450.995 4.623 50 0 JJAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027957092 556310643 /nfs/dbraw/zinc/31/06/43/556310643.db2.gz VCHLGSOSYZIQEJ-UHFFFAOYSA-N 1 1 457.574 4.957 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288435 556327683 /nfs/dbraw/zinc/32/76/83/556327683.db2.gz YCJKDLJMGSHFPI-OAQYLSRUSA-N 1 1 454.954 4.720 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028288866 556328036 /nfs/dbraw/zinc/32/80/36/556328036.db2.gz VPLZNPJLXGVXCB-HXUWFJFHSA-N 1 1 485.378 4.521 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000013129074 556350677 /nfs/dbraw/zinc/35/06/77/556350677.db2.gz LVDTUGBYJFGYIO-AHKZPQOWSA-N 1 1 469.585 4.793 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000013129074 556350682 /nfs/dbraw/zinc/35/06/82/556350682.db2.gz LVDTUGBYJFGYIO-AHKZPQOWSA-N 1 1 469.585 4.793 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000013129073 556350717 /nfs/dbraw/zinc/35/07/17/556350717.db2.gz LVDTUGBYJFGYIO-XNMGPUDCSA-N 1 1 469.585 4.793 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2)C1 ZINC000013129073 556350724 /nfs/dbraw/zinc/35/07/24/556350724.db2.gz LVDTUGBYJFGYIO-XNMGPUDCSA-N 1 1 469.585 4.793 50 0 JJAAMO COC(=O)C[C@H]([NH2+][C@@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cc(C)ccc1C ZINC000019799730 556376790 /nfs/dbraw/zinc/37/67/90/556376790.db2.gz PAWCIKBHIKJGMS-AHWVRZQESA-N 1 1 450.554 4.875 50 0 JJAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Br)cc2F)c1 ZINC000032931694 556546673 /nfs/dbraw/zinc/54/66/73/556546673.db2.gz CKYUVHFTISVVRU-ZDUSSCGKSA-N 1 1 466.326 4.793 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(Br)cc2F)c1 ZINC000032931694 556546678 /nfs/dbraw/zinc/54/66/78/556546678.db2.gz CKYUVHFTISVVRU-ZDUSSCGKSA-N 1 1 466.326 4.793 50 0 JJAAMO CCOc1ccc(CN2c3cc(C(=O)N4CC[NH+](C)CC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000008595352 562943844 /nfs/dbraw/zinc/94/38/44/562943844.db2.gz FUDGLHHPCFIOOA-UHFFFAOYSA-N 1 1 487.625 4.785 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000008720893 569598292 /nfs/dbraw/zinc/59/82/92/569598292.db2.gz FAYHARUDEDHHMN-UHFFFAOYSA-N 1 1 474.527 4.595 50 0 JJAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl ZINC000057362759 569599333 /nfs/dbraw/zinc/59/93/33/569599333.db2.gz BPBARBUVWPQNME-HNNXBMFYSA-N 1 1 451.910 4.610 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984002 569607282 /nfs/dbraw/zinc/60/72/82/569607282.db2.gz QUGCWBZFZJPLLI-HAFIMRKLSA-N 1 1 453.970 4.706 50 0 JJAAMO C[C@@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000062369985 569610680 /nfs/dbraw/zinc/61/06/80/569610680.db2.gz UTDCLWMHVLZRFT-DVECYGJZSA-N 1 1 483.659 4.629 50 0 JJAAMO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000062369984 569610788 /nfs/dbraw/zinc/61/07/88/569610788.db2.gz UTDCLWMHVLZRFT-CYFREDJKSA-N 1 1 483.659 4.629 50 0 JJAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)cc(C)[nH+]1 ZINC000064801780 569631628 /nfs/dbraw/zinc/63/16/28/569631628.db2.gz BPWKCGBJJXCGJA-UHFFFAOYSA-N 1 1 451.474 4.780 50 0 JJAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064802124 569631953 /nfs/dbraw/zinc/63/19/53/569631953.db2.gz QLSGAOGAGNRZJQ-UHFFFAOYSA-N 1 1 451.596 4.937 50 0 JJAAMO COc1ccccc1CCNC(=O)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034682418 569643971 /nfs/dbraw/zinc/64/39/71/569643971.db2.gz YJIOQQXUGQEBAC-UHFFFAOYSA-N 1 1 464.009 4.643 50 0 JJAAMO COc1cccc(N(C2CC[NH+](Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000034683868 569644624 /nfs/dbraw/zinc/64/46/24/569644624.db2.gz HADPCVQFVGDOAY-UHFFFAOYSA-N 1 1 496.629 4.572 50 0 JJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000034683772 569644648 /nfs/dbraw/zinc/64/46/48/569644648.db2.gz DBHQHOPMYKFECI-UHFFFAOYSA-N 1 1 480.630 4.872 50 0 JJAAMO COc1cccc(N(C2CC[NH+](Cc3ccc(O)c(OC)c3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034684003 569644754 /nfs/dbraw/zinc/64/47/54/569644754.db2.gz HHDIRNCMHBSTKV-UHFFFAOYSA-N 1 1 496.629 4.578 50 0 JJAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699230 569648481 /nfs/dbraw/zinc/64/84/81/569648481.db2.gz WSLXXLUDWZREKZ-IGKIAQTJSA-N 1 1 459.634 4.934 50 0 JJAAMO C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@@H+]1Cc1ccoc1 ZINC000034707910 569650062 /nfs/dbraw/zinc/65/00/62/569650062.db2.gz KBEAPCTWUXBWMB-OAHLLOKOSA-N 1 1 464.982 4.963 50 0 JJAAMO C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@H+]1Cc1ccoc1 ZINC000034707910 569650063 /nfs/dbraw/zinc/65/00/63/569650063.db2.gz KBEAPCTWUXBWMB-OAHLLOKOSA-N 1 1 464.982 4.963 50 0 JJAAMO O=C(CCC1CCCC1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787221 569659525 /nfs/dbraw/zinc/65/95/25/569659525.db2.gz ILQOGVNKMVJVFQ-MUUNZHRXSA-N 1 1 479.690 4.727 50 0 JJAAMO O=C(CCC1CCCC1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034787221 569659526 /nfs/dbraw/zinc/65/95/26/569659526.db2.gz ILQOGVNKMVJVFQ-MUUNZHRXSA-N 1 1 479.690 4.727 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787276 569659649 /nfs/dbraw/zinc/65/96/49/569659649.db2.gz PRELZQDZVVFEGS-CUNXSJBXSA-N 1 1 481.706 4.973 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787276 569659650 /nfs/dbraw/zinc/65/96/50/569659650.db2.gz PRELZQDZVVFEGS-CUNXSJBXSA-N 1 1 481.706 4.973 50 0 JJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787367 569659788 /nfs/dbraw/zinc/65/97/88/569659788.db2.gz AEVXOSRJSFYGPH-MUUNZHRXSA-N 1 1 487.669 4.633 50 0 JJAAMO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787367 569659789 /nfs/dbraw/zinc/65/97/89/569659789.db2.gz AEVXOSRJSFYGPH-MUUNZHRXSA-N 1 1 487.669 4.633 50 0 JJAAMO Fc1cccc(-c2noc(-c3ccc(NCCC[NH+]4CCN(c5ccccc5F)CC4)nc3)n2)c1 ZINC000065097933 569661668 /nfs/dbraw/zinc/66/16/68/569661668.db2.gz OCTQUOUIIOYIFP-UHFFFAOYSA-N 1 1 476.531 4.701 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034829593 569663212 /nfs/dbraw/zinc/66/32/12/569663212.db2.gz SMBATYQMRHEGTF-KMRXNPHXSA-N 1 1 479.690 4.725 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000034829593 569663213 /nfs/dbraw/zinc/66/32/13/569663213.db2.gz SMBATYQMRHEGTF-KMRXNPHXSA-N 1 1 479.690 4.725 50 0 JJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000034830527 569663934 /nfs/dbraw/zinc/66/39/34/569663934.db2.gz FIZHXPKOFMSLRV-BVZFJXPGSA-N 1 1 497.661 4.659 50 0 JJAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000065102578 569664461 /nfs/dbraw/zinc/66/44/61/569664461.db2.gz SPVCAVGEZXXLLM-UHFFFAOYSA-N 1 1 481.710 4.923 50 0 JJAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000067673421 569688917 /nfs/dbraw/zinc/68/89/17/569688917.db2.gz QZFBVSJZDRYVOW-KRWDZBQOSA-N 1 1 475.980 4.541 50 0 JJAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000067673421 569688918 /nfs/dbraw/zinc/68/89/18/569688918.db2.gz QZFBVSJZDRYVOW-KRWDZBQOSA-N 1 1 475.980 4.541 50 0 JJAAMO Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000069615390 569693503 /nfs/dbraw/zinc/69/35/03/569693503.db2.gz MEJIAVHTNJGTBW-QFBILLFUSA-N 1 1 498.718 4.771 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427052 569694171 /nfs/dbraw/zinc/69/41/71/569694171.db2.gz UPMQHMNCFMMCQW-DEOSSOPVSA-N 1 1 482.625 4.707 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427052 569694172 /nfs/dbraw/zinc/69/41/72/569694172.db2.gz UPMQHMNCFMMCQW-DEOSSOPVSA-N 1 1 482.625 4.707 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454122 569697439 /nfs/dbraw/zinc/69/74/39/569697439.db2.gz RKSQVCIWKVJJNV-QFIPXVFZSA-N 1 1 473.061 4.834 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3)CC2)cc1 ZINC000071793460 569698452 /nfs/dbraw/zinc/69/84/52/569698452.db2.gz QNPWPIURSIXVIU-PSWAGMNNSA-N 1 1 477.649 4.511 50 0 JJAAMO CC1(C)Cc2cccc(OCC(=O)NC3CC[NH+](Cc4cccc(C(F)(F)F)c4)CC3)c2O1 ZINC000072012215 569699452 /nfs/dbraw/zinc/69/94/52/569699452.db2.gz REXWNTUYFVZMHP-UHFFFAOYSA-N 1 1 462.512 4.579 50 0 JJAAMO O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000035528879 569699969 /nfs/dbraw/zinc/69/99/69/569699969.db2.gz ICNRLDHXDJJHBL-UHFFFAOYSA-N 1 1 469.029 4.539 50 0 JJAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000035806218 569711417 /nfs/dbraw/zinc/71/14/17/569711417.db2.gz MGXWFQMOWOODPK-LARUCZGFSA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000035806218 569711418 /nfs/dbraw/zinc/71/14/18/569711418.db2.gz MGXWFQMOWOODPK-LARUCZGFSA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000085875712 569715889 /nfs/dbraw/zinc/71/58/89/569715889.db2.gz RKHXIEMOEUVJMB-FTBPSBKWSA-N 1 1 451.655 4.576 50 0 biogenic JJAAMO C[C@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997922 569716828 /nfs/dbraw/zinc/71/68/28/569716828.db2.gz ZFQWYXXFPIWSOT-UUOWRZLLSA-N 1 1 455.574 4.704 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871759 569718975 /nfs/dbraw/zinc/71/89/75/569718975.db2.gz MERTWDHXFPMKRY-TUDQOENJSA-N 1 1 473.592 4.575 50 0 JJAAMO CCn1cc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872392 569719334 /nfs/dbraw/zinc/71/93/34/569719334.db2.gz ISYALNNKGZQYBW-HSZRJFAPSA-N 1 1 454.014 4.675 50 0 JJAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908108 569723801 /nfs/dbraw/zinc/72/38/01/569723801.db2.gz VSMLTCWYMIJBLE-UKILVPOCSA-N 1 1 489.582 4.610 50 0 JJAAMO COc1cccc(OC)c1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000095536307 569725734 /nfs/dbraw/zinc/72/57/34/569725734.db2.gz JKCCXOFRFMNFPC-UHFFFAOYSA-N 1 1 465.981 4.932 50 0 JJAAMO Cc1ccccc1-n1c(Cc2ccccc2)nnc1SCc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000095925494 569730043 /nfs/dbraw/zinc/73/00/43/569730043.db2.gz DCWZLSRJGPAACW-UHFFFAOYSA-N 1 1 497.668 4.846 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2ccccc2C)CC1 ZINC000095925492 569730047 /nfs/dbraw/zinc/73/00/47/569730047.db2.gz NMQLZOARRXJRBS-UHFFFAOYSA-N 1 1 487.629 4.906 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)CC1 ZINC000095925489 569730102 /nfs/dbraw/zinc/73/01/02/569730102.db2.gz UODWKDFCTOFUGI-UHFFFAOYSA-N 1 1 498.656 4.708 50 0 JJAAMO Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000095925555 569730252 /nfs/dbraw/zinc/73/02/52/569730252.db2.gz MHVAIUKATQDOEO-UHFFFAOYSA-N 1 1 497.668 4.846 50 0 JJAAMO Cc1ccccc1-n1c(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)nnc1-c1cccs1 ZINC000095926392 569730311 /nfs/dbraw/zinc/73/03/11/569730311.db2.gz VECBOROVPCQBFF-UHFFFAOYSA-N 1 1 489.670 4.984 50 0 JJAAMO CC(=O)Nc1cccc([C@H](C)[N@H+](Cc2ccccc2)Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000095947044 569731106 /nfs/dbraw/zinc/73/11/06/569731106.db2.gz RHVIFBZZDNQDFM-FQEVSTJZSA-N 1 1 465.619 4.659 50 0 JJAAMO CC(=O)Nc1cccc([C@H](C)[N@@H+](Cc2ccccc2)Cc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000095947044 569731107 /nfs/dbraw/zinc/73/11/07/569731107.db2.gz RHVIFBZZDNQDFM-FQEVSTJZSA-N 1 1 465.619 4.659 50 0 JJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042960 569754375 /nfs/dbraw/zinc/75/43/75/569754375.db2.gz BBZWDXMILZKJAN-ONOMSOESSA-N 1 1 458.602 4.859 50 0 JJAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042960 569754376 /nfs/dbraw/zinc/75/43/76/569754376.db2.gz BBZWDXMILZKJAN-ONOMSOESSA-N 1 1 458.602 4.859 50 0 JJAAMO CC1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000036250456 569758249 /nfs/dbraw/zinc/75/82/49/569758249.db2.gz FVOLMUXYDNIESZ-JOCHJYFZSA-N 1 1 466.453 4.569 50 0 JJAAMO CC(C)c1ccc(NC(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036310783 569759463 /nfs/dbraw/zinc/75/94/63/569759463.db2.gz NWRZMBSBBHLFBN-BWKNWUBXSA-N 1 1 454.659 4.919 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(OC)c1 ZINC000036312166 569760142 /nfs/dbraw/zinc/76/01/42/569760142.db2.gz DNXHWVAAAIDWOM-LJQANCHMSA-N 1 1 480.584 4.682 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(C)c1 ZINC000036312171 569760146 /nfs/dbraw/zinc/76/01/46/569760146.db2.gz CENOHAOVKQPLQZ-FQEVSTJZSA-N 1 1 464.585 4.982 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1 ZINC000036312150 569760160 /nfs/dbraw/zinc/76/01/60/569760160.db2.gz KRSFZUBRKJJWSF-LJQANCHMSA-N 1 1 450.558 4.673 50 0 JJAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312954 569760435 /nfs/dbraw/zinc/76/04/35/569760435.db2.gz NJYHDSZVSJSJAV-DQEYMECFSA-N 1 1 461.606 4.526 50 0 JJAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036313044 569760608 /nfs/dbraw/zinc/76/06/08/569760608.db2.gz JMBHHZUIUSTAAJ-XMMPIXPASA-N 1 1 491.632 4.992 50 0 JJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313914 569761298 /nfs/dbraw/zinc/76/12/98/569761298.db2.gz RGVISZUOWWCGGU-DEOSSOPVSA-N 1 1 497.636 4.608 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313914 569761299 /nfs/dbraw/zinc/76/12/99/569761299.db2.gz RGVISZUOWWCGGU-DEOSSOPVSA-N 1 1 497.636 4.608 50 0 JJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313913 569761405 /nfs/dbraw/zinc/76/14/05/569761405.db2.gz RGVISZUOWWCGGU-XMMPIXPASA-N 1 1 497.636 4.608 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036313913 569761406 /nfs/dbraw/zinc/76/14/06/569761406.db2.gz RGVISZUOWWCGGU-XMMPIXPASA-N 1 1 497.636 4.608 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036316404 569762750 /nfs/dbraw/zinc/76/27/50/569762750.db2.gz IKLSPLFGMMQDLG-QHCPKHFHSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036316404 569762751 /nfs/dbraw/zinc/76/27/51/569762751.db2.gz IKLSPLFGMMQDLG-QHCPKHFHSA-N 1 1 479.621 4.986 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 ZINC000036341106 569764266 /nfs/dbraw/zinc/76/42/66/569764266.db2.gz LAFDATAGSKKZBX-MHZLTWQESA-N 1 1 491.010 4.975 50 0 JJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342100 569765489 /nfs/dbraw/zinc/76/54/89/569765489.db2.gz YESMBIJZLBPBSM-UPVQGACJSA-N 1 1 453.558 4.864 50 0 JJAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036342100 569765490 /nfs/dbraw/zinc/76/54/90/569765490.db2.gz YESMBIJZLBPBSM-UPVQGACJSA-N 1 1 453.558 4.864 50 0 JJAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344568 569767035 /nfs/dbraw/zinc/76/70/35/569767035.db2.gz MSOCPLXETAYYOE-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344487 569767160 /nfs/dbraw/zinc/76/71/60/569767160.db2.gz ROPCLLGKFBJPOY-RUZDIDTESA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344487 569767161 /nfs/dbraw/zinc/76/71/61/569767161.db2.gz ROPCLLGKFBJPOY-RUZDIDTESA-N 1 1 473.573 4.522 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344771 569767192 /nfs/dbraw/zinc/76/71/92/569767192.db2.gz JMHSYRFTXMLKSE-GDLZYMKVSA-N 1 1 484.619 4.938 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344634 569767283 /nfs/dbraw/zinc/76/72/83/569767283.db2.gz GUMPNIVBCZYPPB-BVAGGSTKSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344634 569767284 /nfs/dbraw/zinc/76/72/84/569767284.db2.gz GUMPNIVBCZYPPB-BVAGGSTKSA-N 1 1 461.606 4.565 50 0 JJAAMO COc1ccccc1C1=NN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H](c2cc(C)ccc2C)C1 ZINC000036344680 569767292 /nfs/dbraw/zinc/76/72/92/569767292.db2.gz LZZUILYWMBEHAO-LJAQVGFWSA-N 1 1 496.655 4.808 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000036345557 569767954 /nfs/dbraw/zinc/76/79/54/569767954.db2.gz NPEQVWQOHKDBHL-LJAQVGFWSA-N 1 1 466.629 4.799 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCN(CC(C)C)c2nc(-c3ccco3)nc3cc(Cl)ccc32)CC1 ZINC000037384668 569785748 /nfs/dbraw/zinc/78/57/48/569785748.db2.gz FQVSAEQIKRMTRH-UHFFFAOYSA-N 1 1 470.017 4.560 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)cc2)CC1 ZINC000037397921 569786920 /nfs/dbraw/zinc/78/69/20/569786920.db2.gz LEIKMWXJAOSXCX-UHFFFAOYSA-N 1 1 498.656 4.708 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccnc4)n3-c3cccc(C)c3)cc2)CC1 ZINC000037398855 569787381 /nfs/dbraw/zinc/78/73/81/569787381.db2.gz IRKBCQAPTBIJJY-UHFFFAOYSA-N 1 1 498.656 4.708 50 0 JJAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037571136 569795935 /nfs/dbraw/zinc/79/59/35/569795935.db2.gz HIVWYIQQHKEBKR-UHFFFAOYSA-N 1 1 460.521 4.964 50 0 JJAAMO Cc1cc([C@@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546428 569803110 /nfs/dbraw/zinc/80/31/10/569803110.db2.gz SJXOVAQVZRNBFQ-HXUWFJFHSA-N 1 1 461.534 4.840 50 0 JJAAMO COc1ccccc1[C@@H](c1c(NC(=O)c2ccco2)sc2c1CCCC2)N1CC[NH+](C)CC1 ZINC000038546642 569803546 /nfs/dbraw/zinc/80/35/46/569803546.db2.gz OJFGFNXVMNPOGA-DEOSSOPVSA-N 1 1 465.619 4.818 50 0 JJAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c1C ZINC000038546761 569803737 /nfs/dbraw/zinc/80/37/37/569803737.db2.gz GMWGTTAZXWGQKC-JOCHJYFZSA-N 1 1 469.632 4.744 50 0 JJAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000101798705 569805391 /nfs/dbraw/zinc/80/53/91/569805391.db2.gz NCGAEFMHKVOXEQ-UHFFFAOYSA-N 1 1 484.522 4.583 50 0 JJAAMO CC(C)c1nc2c(c(=O)n1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000101798705 569805392 /nfs/dbraw/zinc/80/53/92/569805392.db2.gz NCGAEFMHKVOXEQ-UHFFFAOYSA-N 1 1 484.522 4.583 50 0 JJAAMO COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)n2)c1 ZINC000040082110 569815800 /nfs/dbraw/zinc/81/58/00/569815800.db2.gz NJFFEGHPNAQWNZ-IAGOWNOFSA-N 1 1 467.591 4.689 50 0 JJAAMO CC[NH+]1CCN(C[C@H](C)CNc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000040149296 569818801 /nfs/dbraw/zinc/81/88/01/569818801.db2.gz YCGPHLHGCGAHQN-MRXNPFEDSA-N 1 1 474.472 4.806 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@@H+](Cc1ccccc1)CC2 ZINC000102845955 569824298 /nfs/dbraw/zinc/82/42/98/569824298.db2.gz FBRUMOSQWHLIHF-UHFFFAOYSA-N 1 1 464.997 4.526 50 0 JJAAMO Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c2c(nc1C(C)C)C[N@H+](Cc1ccccc1)CC2 ZINC000102845955 569824299 /nfs/dbraw/zinc/82/42/99/569824299.db2.gz FBRUMOSQWHLIHF-UHFFFAOYSA-N 1 1 464.997 4.526 50 0 JJAAMO COc1ccc2c(c1)O[C@@H](C)C[N@H+](CCC(=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000104416815 569845782 /nfs/dbraw/zinc/84/57/82/569845782.db2.gz VBPXCVHWHAIKRX-YADARESESA-N 1 1 466.553 4.739 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104982693 569847965 /nfs/dbraw/zinc/84/79/65/569847965.db2.gz CAZSQENHHXTWGH-JTHBVZDNSA-N 1 1 461.002 4.520 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983086 569848023 /nfs/dbraw/zinc/84/80/23/569848023.db2.gz ZTJDULXERPKFLT-VQTJNVASSA-N 1 1 451.394 4.775 50 0 JJAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000105003331 569849298 /nfs/dbraw/zinc/84/92/98/569849298.db2.gz CUNNTYHKLGTTOF-HARLFGEKSA-N 1 1 458.668 4.599 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010994 569850934 /nfs/dbraw/zinc/85/09/34/569850934.db2.gz KFMVWJRCNDAJBJ-XUZZJYLKSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010994 569850935 /nfs/dbraw/zinc/85/09/35/569850935.db2.gz KFMVWJRCNDAJBJ-XUZZJYLKSA-N 1 1 467.997 4.601 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(F)c1 ZINC000052596112 569852472 /nfs/dbraw/zinc/85/24/72/569852472.db2.gz POIQMOAKOSUSDS-URXFXBBRSA-N 1 1 490.604 4.762 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(F)c1 ZINC000052596112 569852473 /nfs/dbraw/zinc/85/24/73/569852473.db2.gz POIQMOAKOSUSDS-URXFXBBRSA-N 1 1 490.604 4.762 50 0 JJAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000105061869 569852693 /nfs/dbraw/zinc/85/26/93/569852693.db2.gz DKEHJRCHZHMYBD-NIYFSFCBSA-N 1 1 485.669 4.720 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)C1 ZINC000105470230 569853069 /nfs/dbraw/zinc/85/30/69/569853069.db2.gz MISIYDDAZMPYOZ-UETOGOEVSA-N 1 1 494.680 4.780 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)CC ZINC000169679256 569869559 /nfs/dbraw/zinc/86/95/59/569869559.db2.gz FHYRAIYUBUFYMA-XUZZJYLKSA-N 1 1 458.668 4.859 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680312 569870277 /nfs/dbraw/zinc/87/02/77/569870277.db2.gz SUJDVRIPYIHORA-NOZRDPDXSA-N 1 1 450.966 4.775 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169680312 569870278 /nfs/dbraw/zinc/87/02/78/569870278.db2.gz SUJDVRIPYIHORA-NOZRDPDXSA-N 1 1 450.966 4.775 50 0 JJAAMO Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000195528980 569873487 /nfs/dbraw/zinc/87/34/87/569873487.db2.gz MEJIAVHTNJGTBW-VQIMIIECSA-N 1 1 498.718 4.771 50 0 JJAAMO C[N@@H+](CCCN1C(=O)[C@H](Oc2ccc(F)cc2Cl)[C@H]1c1cscn1)Cc1ccccc1 ZINC000230077579 570044543 /nfs/dbraw/zinc/04/45/43/570044543.db2.gz GDVNHVCDJAZRPM-FGZHOGPDSA-N 1 1 459.974 4.789 50 0 JJAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000230156916 570046113 /nfs/dbraw/zinc/04/61/13/570046113.db2.gz BEGNDCGQVPUYOS-XTEPFMGCSA-N 1 1 471.004 4.996 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228506 570055551 /nfs/dbraw/zinc/05/55/51/570055551.db2.gz CZLFGPGOHKLNOZ-KPURRNSFSA-N 1 1 478.681 4.959 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000245240543 570058139 /nfs/dbraw/zinc/05/81/39/570058139.db2.gz PZKXVMUUWQJJGR-OGZQRHRFSA-N 1 1 482.669 4.798 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245257980 570060823 /nfs/dbraw/zinc/06/08/23/570060823.db2.gz JFHDDFHUZBUMGE-LYZGTLIUSA-N 1 1 480.653 4.676 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000245294799 570062597 /nfs/dbraw/zinc/06/25/97/570062597.db2.gz AKOLLWXEYMJPOJ-AHWVRZQESA-N 1 1 469.601 4.557 50 0 JJAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247499985 570068321 /nfs/dbraw/zinc/06/83/21/570068321.db2.gz PMTHPTRFZIRITQ-JOCHJYFZSA-N 1 1 456.565 4.736 50 0 JJAAMO CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247958892 570071709 /nfs/dbraw/zinc/07/17/09/570071709.db2.gz DRPNFWDWERFZKA-SFHVURJKSA-N 1 1 469.427 4.868 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000247983541 570072111 /nfs/dbraw/zinc/07/21/11/570072111.db2.gz HYJVACUBFJMNOS-UHFFFAOYSA-N 1 1 480.056 4.831 50 0 JJAAMO CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978907 570072148 /nfs/dbraw/zinc/07/21/48/570072148.db2.gz JBZWIMRGYDJDFY-SFHVURJKSA-N 1 1 469.427 4.868 50 0 JJAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000247994472 570072541 /nfs/dbraw/zinc/07/25/41/570072541.db2.gz CGWGCMAVZSROKA-LMSSTIIKSA-N 1 1 450.586 4.651 50 0 JJAAMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248021656 570072904 /nfs/dbraw/zinc/07/29/04/570072904.db2.gz UVVKZMNHQMKEHV-QGZVFWFLSA-N 1 1 455.400 4.525 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)nc3ccccc32)cc1 ZINC000248125219 570074765 /nfs/dbraw/zinc/07/47/65/570074765.db2.gz WNXQXHWQJYETPV-RUZDIDTESA-N 1 1 482.628 4.930 50 0 JJAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(OC)cc4)C3)nc3ccccc32)cc1 ZINC000248133987 570075202 /nfs/dbraw/zinc/07/52/02/570075202.db2.gz MCJRXMRJQKOUGW-QFIPXVFZSA-N 1 1 484.600 4.953 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(OC)cc4)C3)nc3ccccc32)cc1 ZINC000248133987 570075203 /nfs/dbraw/zinc/07/52/03/570075203.db2.gz MCJRXMRJQKOUGW-QFIPXVFZSA-N 1 1 484.600 4.953 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccccc4OC)CC3)nc3ccccc32)cc1 ZINC000248142816 570075291 /nfs/dbraw/zinc/07/52/91/570075291.db2.gz TVTKVJQEZBEYCM-UHFFFAOYSA-N 1 1 484.600 4.953 50 0 JJAAMO CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000248176148 570075980 /nfs/dbraw/zinc/07/59/80/570075980.db2.gz VUAYVEVMUUQTEZ-IBGZPJMESA-N 1 1 469.427 4.908 50 0 JJAAMO O=C(C[NH2+]Cc1ccco1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000001160430 194054480 /nfs/dbraw/zinc/05/44/80/194054480.db2.gz RSTYWGSDXDDDMU-UHFFFAOYSA-N 1 1 474.380 4.573 50 0 JJAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000001447737 194122837 /nfs/dbraw/zinc/12/28/37/194122837.db2.gz SOZVRIJAOJENMX-UHFFFAOYSA-N 1 1 456.546 4.830 50 0 JJAAMO CCOc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000002933447 194173830 /nfs/dbraw/zinc/17/38/30/194173830.db2.gz OGFUFAPTRXGLBA-YZIHRLCOSA-N 1 1 463.622 4.552 50 0 JJAAMO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCC[N@H+](C)CCc3ccccc3)C2=O)cc1 ZINC000003046639 194216745 /nfs/dbraw/zinc/21/67/45/194216745.db2.gz OELOABOFIWHPHQ-OOAXWGSJSA-N 1 1 485.653 4.766 50 0 JJAAMO COc1ccc(S(=O)(=O)N2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000009933423 195025243 /nfs/dbraw/zinc/02/52/43/195025243.db2.gz ZZECDRDKNAGEKY-UHFFFAOYSA-N 1 1 464.631 4.593 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(C(=O)c4ccccc4Cl)CC3)c2c1C ZINC000012601336 195046761 /nfs/dbraw/zinc/04/67/61/195046761.db2.gz MQWIOJOFCMRQKN-UHFFFAOYSA-N 1 1 470.042 4.520 50 0 JJAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000012780072 195123787 /nfs/dbraw/zinc/12/37/87/195123787.db2.gz KUYJNDFJJGMLLY-XMMPIXPASA-N 1 1 470.573 4.589 50 0 JJAAMO CC(C)Cn1c(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)nnc1-c1ccccc1F ZINC000012782917 195125549 /nfs/dbraw/zinc/12/55/49/195125549.db2.gz AGYRRDPPNWZYFJ-HXUWFJFHSA-N 1 1 481.641 4.738 50 0 JJAAMO Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c3ccccc32)c1 ZINC000012872283 195164052 /nfs/dbraw/zinc/16/40/52/195164052.db2.gz QFSNPCHPNBFXQQ-QHCPKHFHSA-N 1 1 480.612 4.586 50 0 JJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000012906140 195179900 /nfs/dbraw/zinc/17/99/00/195179900.db2.gz YTOVPSGSZSIOPN-XMMPIXPASA-N 1 1 451.567 4.877 50 0 JJAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Br)c2)n1 ZINC000020610088 195183013 /nfs/dbraw/zinc/18/30/13/195183013.db2.gz HVFOSRLQFFYGMP-UHFFFAOYSA-N 1 1 493.405 4.598 50 0 biogenic JJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000020616495 195188143 /nfs/dbraw/zinc/18/81/43/195188143.db2.gz XEDXOEAMGGFFDH-UHFFFAOYSA-N 1 1 488.538 4.694 50 0 JJAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725006 195207450 /nfs/dbraw/zinc/20/74/50/195207450.db2.gz VSHDUEXVDDQQPB-UHFFFAOYSA-N 1 1 475.536 4.857 50 0 JJAAMO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc3NC2=O)cc1 ZINC000020734074 195211875 /nfs/dbraw/zinc/21/18/75/195211875.db2.gz TUPIDONAPSTBJK-PCLIKHOPSA-N 1 1 473.598 4.642 50 0 JJAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000020664524 195197494 /nfs/dbraw/zinc/19/74/94/195197494.db2.gz SLUSWKJYNPGTDA-UHFFFAOYSA-N 1 1 492.428 4.913 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020904399 195244722 /nfs/dbraw/zinc/24/47/22/195244722.db2.gz IXLVEQSAEAXYGF-IGKWTDBASA-N 1 1 453.652 4.675 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931410 195251420 /nfs/dbraw/zinc/25/14/20/195251420.db2.gz DORUJLYEVPZDRZ-UHFFFAOYSA-N 1 1 467.704 4.539 50 0 JJAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)C2)cc1 ZINC000020990100 195262147 /nfs/dbraw/zinc/26/21/47/195262147.db2.gz CABXBAYZBALCFC-NRFANRHFSA-N 1 1 493.673 4.740 50 0 JJAAMO Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)[N@@H+]1CCc2ccccc2C1 ZINC000021151842 195283266 /nfs/dbraw/zinc/28/32/66/195283266.db2.gz RBYATJRTDFJVGU-QFIPXVFZSA-N 1 1 458.389 4.627 50 0 JJAAMO Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000021151842 195283268 /nfs/dbraw/zinc/28/32/68/195283268.db2.gz RBYATJRTDFJVGU-QFIPXVFZSA-N 1 1 458.389 4.627 50 0 JJAAMO CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794859 195322160 /nfs/dbraw/zinc/32/21/60/195322160.db2.gz LIFLVEPSVKKNOT-UHFFFAOYSA-N 1 1 451.596 4.882 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915162 195331618 /nfs/dbraw/zinc/33/16/18/195331618.db2.gz NEQJJUWZJWHVRY-HXUWFJFHSA-N 1 1 462.638 4.908 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915168 195331737 /nfs/dbraw/zinc/33/17/37/195331737.db2.gz NEQJJUWZJWHVRY-FQEVSTJZSA-N 1 1 462.638 4.908 50 0 JJAAMO COc1ccc(CC[C@@]2(C)NC(=O)N(C[N@@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000058169949 195370459 /nfs/dbraw/zinc/37/04/59/195370459.db2.gz HTIWMWPYPKXARI-SHQCIBLASA-N 1 1 465.594 4.522 50 0 JJAAMO COc1ccc(CC[C@@]2(C)NC(=O)N(C[N@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000058169949 195370461 /nfs/dbraw/zinc/37/04/61/195370461.db2.gz HTIWMWPYPKXARI-SHQCIBLASA-N 1 1 465.594 4.522 50 0 JJAAMO 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CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306898 519881064 /nfs/dbraw/zinc/88/10/64/519881064.db2.gz VGWAAPUJLMGHSN-QFIPXVFZSA-N 1 1 495.595 4.935 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302048 520094272 /nfs/dbraw/zinc/09/42/72/520094272.db2.gz OKJGWVSKWKNPKX-QFIPXVFZSA-N 1 1 453.583 4.589 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305311 520154585 /nfs/dbraw/zinc/15/45/85/520154585.db2.gz AFVKQNIELBXATK-JOCHJYFZSA-N 1 1 467.610 4.743 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036206527 520155079 /nfs/dbraw/zinc/15/50/79/520155079.db2.gz ZWOWJMJGLNUWEZ-HXUWFJFHSA-N 1 1 469.651 4.801 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302869 520155649 /nfs/dbraw/zinc/15/56/49/520155649.db2.gz QXXMTRLFEDSGNL-HSZRJFAPSA-N 1 1 479.621 4.845 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302663 520155693 /nfs/dbraw/zinc/15/56/93/520155693.db2.gz UTGOIUOSITWVEN-HSZRJFAPSA-N 1 1 479.621 4.845 50 0 JJAAMO CCN(CC)c1ccc(-c2nn(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c(=S)n2C)cc1 ZINC000022924542 520877793 /nfs/dbraw/zinc/87/77/93/520877793.db2.gz UJUJZRIDPIQVHC-FMIVXFBMSA-N 1 1 476.694 4.753 50 0 JJAAMO CCOc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000008617182 521231631 /nfs/dbraw/zinc/23/16/31/521231631.db2.gz BMLNNUFDLJJCAR-LJAQVGFWSA-N 1 1 499.611 4.814 50 0 aggregator JJAAMO CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccc(OC)cc32)C1 ZINC000036102795 521303964 /nfs/dbraw/zinc/30/39/64/521303964.db2.gz AERSTIRWFNETPO-IBGZPJMESA-N 1 1 462.546 4.653 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004147843 521637432 /nfs/dbraw/zinc/63/74/32/521637432.db2.gz QWAOVVDXYJPXGJ-OZWZFHKISA-N 1 1 465.682 4.509 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036305520 521678279 /nfs/dbraw/zinc/67/82/79/521678279.db2.gz SRFWVMINDGQZFD-QFIPXVFZSA-N 1 1 467.610 4.886 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036302206 521680353 /nfs/dbraw/zinc/68/03/53/521680353.db2.gz FDTKXKMFHYLWLQ-QFIPXVFZSA-N 1 1 453.583 4.591 50 0 JJAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036206214 521693699 /nfs/dbraw/zinc/69/36/99/521693699.db2.gz CZTAXEVUPVSWSS-GOSISDBHSA-N 1 1 464.031 4.551 50 0 JJAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@@H](O)COCC(C)C ZINC000036206214 521693707 /nfs/dbraw/zinc/69/37/07/521693707.db2.gz CZTAXEVUPVSWSS-GOSISDBHSA-N 1 1 464.031 4.551 50 0 JJAAMO CC[C@@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3cc(C)ccc3[nH]2)CC1)Cc1cccs1 ZINC000033070899 522088017 /nfs/dbraw/zinc/08/80/17/522088017.db2.gz HYDMOWWEUYLVCT-LJQANCHMSA-N 1 1 453.656 4.566 50 0 JJAAMO CC[C@@H](C)[N@H+](CCNC(=O)C1CCN(c2nc3ccc(C)cc3[nH]2)CC1)Cc1cccs1 ZINC000033070899 522088029 /nfs/dbraw/zinc/08/80/29/522088029.db2.gz HYDMOWWEUYLVCT-LJQANCHMSA-N 1 1 453.656 4.566 50 0 JJAAMO CC[C@@H](C)[N@@H+](CCNC(=O)C1CCN(c2nc3ccc(C)cc3[nH]2)CC1)Cc1cccs1 ZINC000033070899 522088040 /nfs/dbraw/zinc/08/80/40/522088040.db2.gz HYDMOWWEUYLVCT-LJQANCHMSA-N 1 1 453.656 4.566 50 0 JJAAMO CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000036303359 522638301 /nfs/dbraw/zinc/63/83/01/522638301.db2.gz GPXGJBCCFHVVCX-SFHVURJKSA-N 1 1 451.567 4.589 50 0 JJAAMO CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000036303359 522638313 /nfs/dbraw/zinc/63/83/13/522638313.db2.gz GPXGJBCCFHVVCX-SFHVURJKSA-N 1 1 451.567 4.589 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036303200 522639776 /nfs/dbraw/zinc/63/97/76/522639776.db2.gz GHNDOHKXWBINDR-DEOSSOPVSA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036303200 522639787 /nfs/dbraw/zinc/63/97/87/522639787.db2.gz GHNDOHKXWBINDR-DEOSSOPVSA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303188 522640630 /nfs/dbraw/zinc/64/06/30/522640630.db2.gz DNVQTQYSDPLHFU-HSZRJFAPSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303188 522640643 /nfs/dbraw/zinc/64/06/43/522640643.db2.gz DNVQTQYSDPLHFU-HSZRJFAPSA-N 1 1 485.600 4.600 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036303129 522642350 /nfs/dbraw/zinc/64/23/50/522642350.db2.gz LNOPILOXSNOGRI-JOCHJYFZSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036303129 522642359 /nfs/dbraw/zinc/64/23/59/522642359.db2.gz LNOPILOXSNOGRI-JOCHJYFZSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036302975 522642452 /nfs/dbraw/zinc/64/24/52/522642452.db2.gz LVRUYPCHKGVIFI-AHWVRZQESA-N 1 1 493.648 4.994 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036302975 522642470 /nfs/dbraw/zinc/64/24/70/522642470.db2.gz LVRUYPCHKGVIFI-AHWVRZQESA-N 1 1 493.648 4.994 50 0 JJAAMO CC[C@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309676 522806678 /nfs/dbraw/zinc/80/66/78/522806678.db2.gz IYPMEVAZYMZVCI-REWPJTCUSA-N 1 1 462.631 4.511 50 0 JJAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014950658 522820554 /nfs/dbraw/zinc/82/05/54/522820554.db2.gz XTICVTBMZRLQIJ-LJQANCHMSA-N 1 1 468.623 4.513 50 0 JJAAMO CCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697081 523140701 /nfs/dbraw/zinc/14/07/01/523140701.db2.gz YWTTUEQOYIPBJE-DEOSSOPVSA-N 1 1 455.961 4.586 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)COc4ccccc4)nc(=O)c23)cc1 ZINC000036207823 523172442 /nfs/dbraw/zinc/17/24/42/523172442.db2.gz OXRVNOQDLCMMEU-FQEVSTJZSA-N 1 1 493.629 4.558 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COc4ccccc4)nc(=O)c23)cc1 ZINC000036207823 523172454 /nfs/dbraw/zinc/17/24/54/523172454.db2.gz OXRVNOQDLCMMEU-FQEVSTJZSA-N 1 1 493.629 4.558 50 0 JJAAMO COc1ccc(-c2oc3ncnc(NCCC[NH+]4CCOCC4)c3c2-c2ccc(OC)cc2)cc1 ZINC000020249755 523306358 /nfs/dbraw/zinc/30/63/58/523306358.db2.gz VICXBPMYDGBCSN-UHFFFAOYSA-N 1 1 474.561 4.708 50 0 JJAAMO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([N@@H+](C)Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014744123 523344661 /nfs/dbraw/zinc/34/46/61/523344661.db2.gz BCGNMVLVASCJLL-QFIPXVFZSA-N 1 1 485.657 4.805 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036306952 523736186 /nfs/dbraw/zinc/73/61/86/523736186.db2.gz TWXSFTPGPMOBIU-QFIPXVFZSA-N 1 1 485.600 4.643 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036304359 523737402 /nfs/dbraw/zinc/73/74/02/523737402.db2.gz JCEHSLAGGWNSRQ-HSZRJFAPSA-N 1 1 497.636 4.606 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036304359 523737412 /nfs/dbraw/zinc/73/74/12/523737412.db2.gz JCEHSLAGGWNSRQ-HSZRJFAPSA-N 1 1 497.636 4.606 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)C ZINC000036303478 523737724 /nfs/dbraw/zinc/73/77/24/523737724.db2.gz CYFSGTDKOKULBC-JOCHJYFZSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)C ZINC000036303478 523737727 /nfs/dbraw/zinc/73/77/27/523737727.db2.gz CYFSGTDKOKULBC-JOCHJYFZSA-N 1 1 488.028 4.861 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036302458 523738500 /nfs/dbraw/zinc/73/85/00/523738500.db2.gz LCZQNAKEHAAWOV-QHCPKHFHSA-N 1 1 497.636 4.606 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036302458 523738505 /nfs/dbraw/zinc/73/85/05/523738505.db2.gz LCZQNAKEHAAWOV-QHCPKHFHSA-N 1 1 497.636 4.606 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000036145839 523881567 /nfs/dbraw/zinc/88/15/67/523881567.db2.gz JZGMICWSAZNANE-UNMCSNQZSA-N 1 1 461.002 4.520 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3ccccc3Cl)C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000036145839 523881570 /nfs/dbraw/zinc/88/15/70/523881570.db2.gz JZGMICWSAZNANE-UNMCSNQZSA-N 1 1 461.002 4.520 50 0 JJAAMO C[N@@H+]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2-c2nc3ccccc3s2)C1 ZINC000016837210 523995744 /nfs/dbraw/zinc/99/57/44/523995744.db2.gz QMSHTTANMJRMAQ-SFHVURJKSA-N 1 1 463.584 4.791 50 0 JJAAMO C[N@H+]1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2-c2nc3ccccc3s2)C1 ZINC000016837210 523995752 /nfs/dbraw/zinc/99/57/52/523995752.db2.gz QMSHTTANMJRMAQ-SFHVURJKSA-N 1 1 463.584 4.791 50 0 JJAAMO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@@H+](C)Cc1cc3ccccc3s1)CC2 ZINC000014732688 524032696 /nfs/dbraw/zinc/03/26/96/524032696.db2.gz FUFAOMIYSZVKHH-NRFANRHFSA-N 1 1 458.631 4.837 50 0 JJAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000014749348 524064903 /nfs/dbraw/zinc/06/49/03/524064903.db2.gz SSMDAESJZMYHGQ-RRPNLBNLSA-N 1 1 497.639 4.577 50 0 JJAAMO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000034726060 524480851 /nfs/dbraw/zinc/48/08/51/524480851.db2.gz ZYURIWCVOXMSAT-UHFFFAOYSA-N 1 1 465.544 4.986 50 0 JJAAMO Cc1ccccc1-c1csc2[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036205692 525008617 /nfs/dbraw/zinc/00/86/17/525008617.db2.gz BKPDPDPEJHSEPS-GOSISDBHSA-N 1 1 457.640 4.594 50 0 JJAAMO Cc1ccccc1-c1csc2[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036205692 525008627 /nfs/dbraw/zinc/00/86/27/525008627.db2.gz BKPDPDPEJHSEPS-GOSISDBHSA-N 1 1 457.640 4.594 50 0 JJAAMO Cc1ccccc1-c1noc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000044842098 525018999 /nfs/dbraw/zinc/01/89/99/525018999.db2.gz YYVALBICOOLMMN-UHFFFAOYSA-N 1 1 466.585 4.911 50 0 JJAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c4ncccc4nc3-c3ccccc3)CC2)cc1Cl ZINC000033139759 525132782 /nfs/dbraw/zinc/13/27/82/525132782.db2.gz GJKZPMOHXWDCBO-UHFFFAOYSA-N 1 1 474.996 4.910 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000002416130 525229361 /nfs/dbraw/zinc/22/93/61/525229361.db2.gz OGRCPEPCFPPYLK-FTJBHMTQSA-N 1 1 470.504 4.956 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146810 525306951 /nfs/dbraw/zinc/30/69/51/525306951.db2.gz HNZDGXOLOFUZKZ-DQEYMECFSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146810 525306962 /nfs/dbraw/zinc/30/69/62/525306962.db2.gz HNZDGXOLOFUZKZ-DQEYMECFSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698232 525326086 /nfs/dbraw/zinc/32/60/86/525326086.db2.gz CNNZBBRQZGVYJY-HHHXNRCGSA-N 1 1 491.538 4.693 50 0 JJAAMO C[C@@H](NC(=O)c1ccc(N2CCC([N@@H+](CCO)Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000012513067 525329305 /nfs/dbraw/zinc/32/93/05/525329305.db2.gz VVSBBZRGOXNIPI-HSZRJFAPSA-N 1 1 457.618 4.641 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002209113 525396260 /nfs/dbraw/zinc/39/62/60/525396260.db2.gz XMWDWNVYGJCIMZ-SVBPBHIXSA-N 1 1 482.540 4.825 50 0 JJAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4cnn(C)c4)cc3)CC2)c1C ZINC000014988514 525417907 /nfs/dbraw/zinc/41/79/07/525417907.db2.gz INQPTFQUQBDANC-UHFFFAOYSA-N 1 1 485.632 4.834 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000034830379 525448509 /nfs/dbraw/zinc/44/85/09/525448509.db2.gz VSGIDOHNUYLSLK-CUNXSJBXSA-N 1 1 487.669 4.767 50 0 JJAAMO Cc1c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078892 525609587 /nfs/dbraw/zinc/60/95/87/525609587.db2.gz UXEQGORSWHBTAP-UHFFFAOYSA-N 1 1 477.678 4.947 50 0 JJAAMO COc1cccc(C(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)CC(C)C)c1 ZINC000036249347 525792621 /nfs/dbraw/zinc/79/26/21/525792621.db2.gz CXJRFJWXGKLQIZ-UHFFFAOYSA-N 1 1 480.584 4.540 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000033139729 525827563 /nfs/dbraw/zinc/82/75/63/525827563.db2.gz NFGGYVDTOJXDPU-UHFFFAOYSA-N 1 1 468.605 4.873 50 0 JJAAMO COc1cccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)CC2)c1 ZINC000034667856 525946239 /nfs/dbraw/zinc/94/62/39/525946239.db2.gz DJHXBUKTERXOSK-UHFFFAOYSA-N 1 1 470.495 4.684 50 0 JJAAMO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000022698011 525979689 /nfs/dbraw/zinc/97/96/89/525979689.db2.gz YIKPZDOWZSCFQO-GDLZYMKVSA-N 1 1 498.602 4.665 50 0 JJAAMO Cc1c[nH]c2cccc(OC[C@@H](O)C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020461866 526000278 /nfs/dbraw/zinc/00/02/78/526000278.db2.gz WCIMODZEMJEZFL-VWLOTQADSA-N 1 1 455.602 4.623 50 0 in-vitro JJAAMO Cc1c[nH]c2cccc(OC[C@H](O)C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020461868 526000768 /nfs/dbraw/zinc/00/07/68/526000768.db2.gz WCIMODZEMJEZFL-RUZDIDTESA-N 1 1 455.602 4.623 50 0 in-vitro JJAAMO COc1cccc(C[C@H](C2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014983755 526076677 /nfs/dbraw/zinc/07/66/77/526076677.db2.gz ZYLJPWJUKDRHJJ-HSZRJFAPSA-N 1 1 485.028 4.579 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000021811795 526245977 /nfs/dbraw/zinc/24/59/77/526245977.db2.gz BSQKNGLCBQSICK-KMRXNPHXSA-N 1 1 482.669 4.942 50 0 JJAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3c(C)cc(C)cc3C)n2n1 ZINC000008609671 526246709 /nfs/dbraw/zinc/24/67/09/526246709.db2.gz PLWQSFMQLOCAMP-UHFFFAOYSA-N 1 1 485.617 4.681 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255183 526247764 /nfs/dbraw/zinc/24/77/64/526247764.db2.gz GVZUABVLAPJXNV-NRFANRHFSA-N 1 1 474.605 4.581 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146655 526287876 /nfs/dbraw/zinc/28/78/76/526287876.db2.gz REMKEXMDXRZWCD-RBBKRZOGSA-N 1 1 472.944 4.645 50 0 JJAAMO O[C@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146421 526296822 /nfs/dbraw/zinc/29/68/22/526296822.db2.gz CXRMFFBPHLGXKU-RPWUZVMVSA-N 1 1 454.492 4.703 50 0 JJAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146421 526296826 /nfs/dbraw/zinc/29/68/26/526296826.db2.gz CXRMFFBPHLGXKU-RPWUZVMVSA-N 1 1 454.492 4.703 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340944 526775540 /nfs/dbraw/zinc/77/55/40/526775540.db2.gz XGYGDXGOWRCFGQ-MHZLTWQESA-N 1 1 491.010 4.975 50 0 JJAAMO Cc1nc(C[N@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)cs1 ZINC000014964772 526844753 /nfs/dbraw/zinc/84/47/53/526844753.db2.gz JJRKWTRPSJGASW-LJQANCHMSA-N 1 1 468.623 4.594 50 0 JJAAMO O=C(COc1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796366 526982377 /nfs/dbraw/zinc/98/23/77/526982377.db2.gz VDAUSTNWDGBUJV-UHFFFAOYSA-N 1 1 489.579 4.815 50 0 JJAAMO O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000014702195 527160781 /nfs/dbraw/zinc/16/07/81/527160781.db2.gz KEYOEOHRWJLOFN-UHFFFAOYSA-N 1 1 450.526 4.530 50 0 JJAAMO O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000014702195 527160784 /nfs/dbraw/zinc/16/07/84/527160784.db2.gz KEYOEOHRWJLOFN-UHFFFAOYSA-N 1 1 450.526 4.530 50 0 JJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145884 527658567 /nfs/dbraw/zinc/65/85/67/527658567.db2.gz XPYLENWWPXBGDT-FTJBHMTQSA-N 1 1 464.993 4.913 50 0 JJAAMO c1nn(-c2ccccc2)c2ncnc(N3CC[NH+](CCOC(c4ccccc4)c4ccccc4)CC3)c12 ZINC000000630575 553717491 /nfs/dbraw/zinc/71/74/91/553717491.db2.gz CXMFNVMSUQNXGH-UHFFFAOYSA-N 1 1 490.611 4.744 50 0 JJAAMO COC(=O)CN1C(c2cc(OC)c(OC)c(OC)c2)=[NH+]c2ccc(C)cc2[C@@H]1c1ccccc1 ZINC000000845527 553796090 /nfs/dbraw/zinc/79/60/90/553796090.db2.gz QBNORYKAJBUHON-VWLOTQADSA-N 1 1 460.530 4.677 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000002202000 554091281 /nfs/dbraw/zinc/09/12/81/554091281.db2.gz MWPDSDDFEAWXEZ-RRPNLBNLSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002209122 554094052 /nfs/dbraw/zinc/09/40/52/554094052.db2.gz HFMMFUHAPMENTM-UIOOFZCWSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)c1OC ZINC000002209579 554094392 /nfs/dbraw/zinc/09/43/92/554094392.db2.gz MYYOQCDOAZWELE-RSXGOPAZSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002231582 554105619 /nfs/dbraw/zinc/10/56/19/554105619.db2.gz DXENYMPKELFRNA-SVBPBHIXSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002238933 554108685 /nfs/dbraw/zinc/10/86/85/554108685.db2.gz GWRBPKPTDJEIQU-FTJBHMTQSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002249550 554113890 /nfs/dbraw/zinc/11/38/90/554113890.db2.gz LGEWCPPNDNDXHC-CLJLJLNGSA-N 1 1 468.513 4.517 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)cc1 ZINC000002351541 554161874 /nfs/dbraw/zinc/16/18/74/554161874.db2.gz HIXZEHCGHKBCBB-JWQCQUIFSA-N 1 1 450.498 4.586 50 0 JJAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000002395444 554182241 /nfs/dbraw/zinc/18/22/41/554182241.db2.gz WVCQTKVTKZRGET-IZZNHLLZSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000002400616 554185491 /nfs/dbraw/zinc/18/54/91/554185491.db2.gz OTSSZYWKUPHQGU-GDKKVTFASA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000002400616 554185494 /nfs/dbraw/zinc/18/54/94/554185494.db2.gz OTSSZYWKUPHQGU-GDKKVTFASA-N 1 1 452.595 4.627 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000002404717 554187787 /nfs/dbraw/zinc/18/77/87/554187787.db2.gz AMAFLDGMNODAAX-ZEQRLZLVSA-N 1 1 470.916 4.931 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000002437692 554208388 /nfs/dbraw/zinc/20/83/88/554208388.db2.gz WDASHXICNSHRRO-SXOMAYOGSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)c(OC)c1OC ZINC000002624241 554248222 /nfs/dbraw/zinc/24/82/22/554248222.db2.gz DPYURSACHOSWRT-SFHVURJKSA-N 1 1 451.991 4.669 50 0 JJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(NC3CCN(C(=O)c5ccco5)CC3)n2)CCC4)CC1 ZINC000008983670 554847953 /nfs/dbraw/zinc/84/79/53/554847953.db2.gz SKUHYLBGPXJWKR-UHFFFAOYSA-N 1 1 479.650 4.722 50 0 JJAAMO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c12 ZINC000009266287 555042555 /nfs/dbraw/zinc/04/25/55/555042555.db2.gz VGMQQJNRZLIAKY-INIZCTEOSA-N 1 1 454.018 4.851 50 0 JJAAMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)c1 ZINC000009266746 555042860 /nfs/dbraw/zinc/04/28/60/555042860.db2.gz DZKKZFVHKYQRKD-CAVYSCNFSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)c1 ZINC000009266746 555042861 /nfs/dbraw/zinc/04/28/61/555042861.db2.gz DZKKZFVHKYQRKD-CAVYSCNFSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009292054 555067163 /nfs/dbraw/zinc/06/71/63/555067163.db2.gz VMOVLBLAUGUKCW-KAYWLYCHSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344865 555110364 /nfs/dbraw/zinc/11/03/64/555110364.db2.gz XNJLZUVTTLNRHS-AHWVRZQESA-N 1 1 452.514 4.816 50 0 JJAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000009349390 555116545 /nfs/dbraw/zinc/11/65/45/555116545.db2.gz BETVBQYHPKRHSL-HXUWFJFHSA-N 1 1 452.555 4.754 50 0 JJAAMO Cc1c(C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405706 555165079 /nfs/dbraw/zinc/16/50/79/555165079.db2.gz RRNXDAIAMJGYFW-UHFFFAOYSA-N 1 1 466.651 4.523 50 0 JJAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000009451077 555223417 /nfs/dbraw/zinc/22/34/17/555223417.db2.gz AKPHAIILUUTVOI-QFIPXVFZSA-N 1 1 465.619 4.857 50 0 JJAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000009451077 555223420 /nfs/dbraw/zinc/22/34/20/555223420.db2.gz AKPHAIILUUTVOI-QFIPXVFZSA-N 1 1 465.619 4.857 50 0 JJAAMO CC[C@@H](Sc1nc2ccccc2c2nc(CCn3c[nH+]cc3C)nn21)C(=O)NCc1ccc(C)cc1 ZINC000009472229 555255234 /nfs/dbraw/zinc/25/52/34/555255234.db2.gz QCEZXQMYHYPSCS-HSZRJFAPSA-N 1 1 499.644 4.521 50 0 JJAAMO C[N@@H+](CCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1)C1CCCCC1 ZINC000009637362 555345092 /nfs/dbraw/zinc/34/50/92/555345092.db2.gz DLAAFSFNDVWRSZ-UHFFFAOYSA-N 1 1 492.689 4.925 50 0 JJAAMO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000009671561 555391440 /nfs/dbraw/zinc/39/14/40/555391440.db2.gz JFQMCWBZNSLXBW-QFIPXVFZSA-N 1 1 452.558 4.552 50 0 JJAAMO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc2c1 ZINC000009604075 555430693 /nfs/dbraw/zinc/43/06/93/555430693.db2.gz VUTFYWWYTPMAGW-UHFFFAOYSA-N 1 1 459.571 4.744 50 0 JJAAMO O=c1cc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000009712245 555436030 /nfs/dbraw/zinc/43/60/30/555436030.db2.gz QFTGLEZTKKWJIA-FQEVSTJZSA-N 1 1 458.406 4.728 50 0 JJAAMO O=c1cc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000009712245 555436033 /nfs/dbraw/zinc/43/60/33/555436033.db2.gz QFTGLEZTKKWJIA-FQEVSTJZSA-N 1 1 458.406 4.728 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000009713714 555440888 /nfs/dbraw/zinc/44/08/88/555440888.db2.gz CVXWHHQVCGZHKV-RUZDIDTESA-N 1 1 455.558 4.504 50 0 JJAAMO C[C@H](CC(=O)NCc1ccccc1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019877115 555524198 /nfs/dbraw/zinc/52/41/98/555524198.db2.gz LMJKEOOGBQBSRR-XMMPIXPASA-N 1 1 469.629 4.653 50 0 JJAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)c1C ZINC000019880254 555525620 /nfs/dbraw/zinc/52/56/20/555525620.db2.gz MFDISVMGGKXHMR-XMMPIXPASA-N 1 1 484.065 4.970 50 0 JJAAMO Cc1cc(O)c2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000013608983 555532572 /nfs/dbraw/zinc/53/25/72/555532572.db2.gz ODFSUHXGNXPQNV-UHFFFAOYSA-N 1 1 482.580 4.592 50 0 JJAAMO COc1cc2nc(NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831146 555532906 /nfs/dbraw/zinc/53/29/06/555532906.db2.gz PDDZQPJVCNPCGZ-HDICACEKSA-N 1 1 460.582 4.637 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000013616265 555536280 /nfs/dbraw/zinc/53/62/80/555536280.db2.gz MBMCTHRJTSVSOJ-SXOMAYOGSA-N 1 1 498.539 4.525 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000009835770 555541052 /nfs/dbraw/zinc/54/10/52/555541052.db2.gz ZONPMJINROAUIX-WUFINQPMSA-N 1 1 485.628 4.634 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+](CC)Cc4ccccc4)C3)sc2c1 ZINC000009848140 555549957 /nfs/dbraw/zinc/54/99/57/555549957.db2.gz NPRWQVHLSKVUNA-JOCHJYFZSA-N 1 1 480.678 4.940 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)sc2c1 ZINC000009848151 555550206 /nfs/dbraw/zinc/55/02/06/555550206.db2.gz SRRCTFTUYDBELA-LJQANCHMSA-N 1 1 458.672 4.682 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@@H]2C)c1 ZINC000009857768 555559029 /nfs/dbraw/zinc/55/90/29/555559029.db2.gz FYXBWCHZYQXSTO-FQEVSTJZSA-N 1 1 461.631 4.947 50 0 JJAAMO CC[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000019997716 555577394 /nfs/dbraw/zinc/57/73/94/555577394.db2.gz UNMSEWQYJQTITJ-UHFFFAOYSA-N 1 1 476.627 4.556 50 0 JJAAMO CC[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000019997716 555577396 /nfs/dbraw/zinc/57/73/96/555577396.db2.gz UNMSEWQYJQTITJ-UHFFFAOYSA-N 1 1 476.627 4.556 50 0 JJAAMO Cc1oc2c(cc3c(C)c(CCC(=O)N4CC[NH+](C)CC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000013720558 555596275 /nfs/dbraw/zinc/59/62/75/555596275.db2.gz ABFCSBCADIUUCQ-UHFFFAOYSA-N 1 1 458.558 4.838 50 0 JJAAMO CC(=O)Nc1nc2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2s1 ZINC000013725330 555599988 /nfs/dbraw/zinc/59/99/88/555599988.db2.gz UGQLDBOHZNSOEO-UHFFFAOYSA-N 1 1 470.598 4.802 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000013811527 555628381 /nfs/dbraw/zinc/62/83/81/555628381.db2.gz FBOJOQBLFVIYMU-AHKZPQOWSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)c1 ZINC000020137490 555660971 /nfs/dbraw/zinc/66/09/71/555660971.db2.gz HTSFFLKGORIPPA-UHFFFAOYSA-N 1 1 453.542 4.898 50 0 aggregator JJAAMO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020137942 555661428 /nfs/dbraw/zinc/66/14/28/555661428.db2.gz VUPXBCVBGLEERI-UHFFFAOYSA-N 1 1 499.659 4.597 50 0 JJAAMO COc1ccccc1/C=C1\Sc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2N(C)C1=O ZINC000020179673 555685597 /nfs/dbraw/zinc/68/55/97/555685597.db2.gz QHDOLELLOJHELY-DIBXZPPDSA-N 1 1 499.636 4.763 50 0 JJAAMO COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014094973 555687398 /nfs/dbraw/zinc/68/73/98/555687398.db2.gz RMPYGBOVOSIWES-AREMUKBSSA-N 1 1 463.622 4.798 50 0 JJAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000014094972 555687458 /nfs/dbraw/zinc/68/74/58/555687458.db2.gz RMPYGBOVOSIWES-SANMLTNESA-N 1 1 463.622 4.798 50 0 JJAAMO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020181294 555688224 /nfs/dbraw/zinc/68/82/24/555688224.db2.gz LNPLFNCMRKJJHI-QYMGICNHSA-N 1 1 477.674 4.959 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214075 555708621 /nfs/dbraw/zinc/70/86/21/555708621.db2.gz KDZDYKXCWONVTE-QFIPXVFZSA-N 1 1 457.958 4.549 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020214075 555708625 /nfs/dbraw/zinc/70/86/25/555708625.db2.gz KDZDYKXCWONVTE-QFIPXVFZSA-N 1 1 457.958 4.549 50 0 JJAAMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241415 555736828 /nfs/dbraw/zinc/73/68/28/555736828.db2.gz CXRHZOAHPAZNFT-OTTIEBEZSA-N 1 1 466.453 4.624 50 0 JJAAMO Clc1ccc(-c2noc3ncnc(NCCCN4CC[NH+](Cc5ccccc5)CC4)c32)cc1 ZINC000020330082 555775404 /nfs/dbraw/zinc/77/54/04/555775404.db2.gz AHUZFOMMKKKDEG-UHFFFAOYSA-N 1 1 462.985 4.558 50 0 JJAAMO CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532131 555800135 /nfs/dbraw/zinc/80/01/35/555800135.db2.gz KVBYLEZRFGLCJB-GOSISDBHSA-N 1 1 484.622 4.825 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020532250 555801357 /nfs/dbraw/zinc/80/13/57/555801357.db2.gz ZTLMQFRQKFXQPX-INIZCTEOSA-N 1 1 452.580 4.571 50 0 JJAAMO CCOC(=O)c1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000020532240 555801399 /nfs/dbraw/zinc/80/13/99/555801399.db2.gz HHKMNTZPBXMAIF-QGZVFWFLSA-N 1 1 466.607 4.976 50 0 JJAAMO O=C(NCc1ccccc1)c1ccc2nc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc2n1 ZINC000020565374 555819908 /nfs/dbraw/zinc/81/99/08/555819908.db2.gz FPJGZONYAYJBGS-UHFFFAOYSA-N 1 1 471.992 4.535 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014534739 555823220 /nfs/dbraw/zinc/82/32/20/555823220.db2.gz FLWWFPYYMUZPNP-RRPNLBNLSA-N 1 1 499.630 4.750 50 0 JJAAMO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534528 555823375 /nfs/dbraw/zinc/82/33/75/555823375.db2.gz OQZCOURHYPFQOP-BJKOFHAPSA-N 1 1 461.581 4.972 50 0 JJAAMO COc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000020591897 555838330 /nfs/dbraw/zinc/83/83/30/555838330.db2.gz COUQWNAYHPVACW-UHFFFAOYSA-N 1 1 482.580 4.586 50 0 JJAAMO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000015000877 555845465 /nfs/dbraw/zinc/84/54/65/555845465.db2.gz RETPKTUMUYWYRW-SFHVURJKSA-N 1 1 491.979 4.866 50 0 JJAAMO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)c2ccco2)CC1 ZINC000011905253 555853398 /nfs/dbraw/zinc/85/33/98/555853398.db2.gz FQSORRDLLVNODP-IBGZPJMESA-N 1 1 458.356 4.900 50 0 JJAAMO C[N@@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000015071541 555870861 /nfs/dbraw/zinc/87/08/61/555870861.db2.gz QGADNIRAWRSIOO-GDLZYMKVSA-N 1 1 479.628 4.863 50 0 JJAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000015074132 555872053 /nfs/dbraw/zinc/87/20/53/555872053.db2.gz LYAZMPSHOXKQOO-SFHVURJKSA-N 1 1 451.954 4.950 50 0 JJAAMO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N[C@H]4CCC[N@@H+](Cc5ccccc5)C4)c3C3CC3)n2)o1 ZINC000011976891 555875784 /nfs/dbraw/zinc/87/57/84/555875784.db2.gz QVJADQQYDOUJKH-QFIPXVFZSA-N 1 1 482.588 4.503 50 0 JJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000015276451 555891986 /nfs/dbraw/zinc/89/19/86/555891986.db2.gz RMEBLBDZRGUWLZ-XLIONFOSSA-N 1 1 458.484 4.836 50 0 JJAAMO COc1cc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)ccc1F ZINC000012041807 555894370 /nfs/dbraw/zinc/89/43/70/555894370.db2.gz OUANBEDGGGMDRT-XMMPIXPASA-N 1 1 493.627 4.618 50 0 JJAAMO COc1cc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)ccc1F ZINC000012041807 555894372 /nfs/dbraw/zinc/89/43/72/555894372.db2.gz OUANBEDGGGMDRT-XMMPIXPASA-N 1 1 493.627 4.618 50 0 JJAAMO O=C(c1cccnc1)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc4[nH]ccc4c2)CCO3)C1 ZINC000012078425 555902477 /nfs/dbraw/zinc/90/24/77/555902477.db2.gz KSWQTPZSJONFPM-RUZDIDTESA-N 1 1 494.595 4.693 50 0 JJAAMO C[N@@H+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675683 555934215 /nfs/dbraw/zinc/93/42/15/555934215.db2.gz FYIFQUDRPCFCIL-MUUNZHRXSA-N 1 1 482.669 4.942 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c2ccccc12 ZINC000012213184 555944038 /nfs/dbraw/zinc/94/40/38/555944038.db2.gz GPXULYVIRBOMHK-HSZRJFAPSA-N 1 1 487.604 4.608 50 0 JJAAMO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908315 555965584 /nfs/dbraw/zinc/96/55/84/555965584.db2.gz CVTJILKNYCIQRC-NRFANRHFSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908315 555965588 /nfs/dbraw/zinc/96/55/88/555965588.db2.gz CVTJILKNYCIQRC-NRFANRHFSA-N 1 1 453.995 4.564 50 0 JJAAMO CCOc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1OC ZINC000022920953 555974809 /nfs/dbraw/zinc/97/48/09/555974809.db2.gz QWLJPFJWZINQGA-XMMPIXPASA-N 1 1 483.634 4.954 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000015732339 555976656 /nfs/dbraw/zinc/97/66/56/555976656.db2.gz ZZQUJPOQCVHOTA-NRFANRHFSA-N 1 1 492.689 4.925 50 0 JJAAMO C[C@@H](OC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012539620 556012795 /nfs/dbraw/zinc/01/27/95/556012795.db2.gz HKQCLVWALADCTI-HXUWFJFHSA-N 1 1 485.609 4.853 50 0 JJAAMO Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)nc2n1 ZINC000023192668 556030185 /nfs/dbraw/zinc/03/01/85/556030185.db2.gz RJUFHEQDMGPLRY-QFIPXVFZSA-N 1 1 495.052 4.720 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)CCC2 ZINC000015946665 556083219 /nfs/dbraw/zinc/08/32/19/556083219.db2.gz VHACIUABDIKFCR-UHFFFAOYSA-N 1 1 462.015 4.966 50 0 JJAAMO CCn1c(C[NH2+][C@@H](c2cccs2)c2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023989336 556112719 /nfs/dbraw/zinc/11/27/19/556112719.db2.gz MWSZSGYNONNFCJ-XMMPIXPASA-N 1 1 468.648 4.556 50 0 JJAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012918148 556137060 /nfs/dbraw/zinc/13/70/60/556137060.db2.gz NOVOSGFIERYHAX-DEOSSOPVSA-N 1 1 472.976 4.606 50 0 JJAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012918699 556137576 /nfs/dbraw/zinc/13/75/76/556137576.db2.gz JNUQLZSOPHAZNZ-UHFFFAOYSA-N 1 1 479.024 4.572 50 0 JJAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000012918699 556137578 /nfs/dbraw/zinc/13/75/78/556137578.db2.gz JNUQLZSOPHAZNZ-UHFFFAOYSA-N 1 1 479.024 4.572 50 0 JJAAMO C[C@H](NC(=O)Cc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891022 556172232 /nfs/dbraw/zinc/17/22/32/556172232.db2.gz SBACLNAHGAEYAL-BVZFJXPGSA-N 1 1 455.574 4.637 50 0 JJAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[NH+](C)C ZINC000012982197 556175483 /nfs/dbraw/zinc/17/54/83/556175483.db2.gz RGCTVRYOFHZUEP-QHCPKHFHSA-N 1 1 456.546 4.753 50 0 JJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012994339 556186803 /nfs/dbraw/zinc/18/68/03/556186803.db2.gz AAZRHAYJTMRFEF-NBGIEHNGSA-N 1 1 452.551 4.701 50 0 JJAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184479 556204068 /nfs/dbraw/zinc/20/40/68/556204068.db2.gz BEGNDCGQVPUYOS-IAPPQJPRSA-N 1 1 471.004 4.996 50 0 biogenic JJAAMO COc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000025357821 556210481 /nfs/dbraw/zinc/21/04/81/556210481.db2.gz CPJHCKZXPBCIQE-UHFFFAOYSA-N 1 1 467.654 4.992 50 0 JJAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)[C@H](C)Cc2cccs2)cc1 ZINC000013018607 556210554 /nfs/dbraw/zinc/21/05/54/556210554.db2.gz OAYFWBBZUXCTOV-HXUWFJFHSA-N 1 1 477.630 4.955 50 0 JJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)C[C@@H]3COc5ccccc5O3)n2)CCC4)CC1 ZINC000013041271 556246286 /nfs/dbraw/zinc/24/62/86/556246286.db2.gz JHPQIYJGJQUWHA-GOSISDBHSA-N 1 1 464.635 4.688 50 0 JJAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000013117217 556326203 /nfs/dbraw/zinc/32/62/03/556326203.db2.gz BOPLCVUTMPCGAC-UHFFFAOYSA-N 1 1 491.657 4.892 50 0 JJAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4nnc(CNC(=O)c5cc(C)oc5C)n4CC3)ccc21 ZINC000019228549 556336083 /nfs/dbraw/zinc/33/60/83/556336083.db2.gz PONJAOHKRJLNII-UHFFFAOYSA-N 1 1 496.615 4.604 50 0 JJAAMO O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019355471 556344382 /nfs/dbraw/zinc/34/43/82/556344382.db2.gz WJKWRPLWSFVNAN-UHFFFAOYSA-N 1 1 489.670 4.931 50 0 JJAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCCC1=CCCCC1 ZINC000019743537 556365597 /nfs/dbraw/zinc/36/55/97/556365597.db2.gz SQTDWZDZNNLQSK-AZGAKELHSA-N 1 1 474.089 4.650 50 0 JJAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)NCCC1=CCCCC1 ZINC000019743537 556365598 /nfs/dbraw/zinc/36/55/98/556365598.db2.gz SQTDWZDZNNLQSK-AZGAKELHSA-N 1 1 474.089 4.650 50 0 JJAAMO CCOC(=O)c1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793686 556373042 /nfs/dbraw/zinc/37/30/42/556373042.db2.gz YRIGWQOJBFKRFL-UHFFFAOYSA-N 1 1 495.623 4.920 50 0 JJAAMO COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)[NH+]2CCCCC2)c1 ZINC000032622201 556451721 /nfs/dbraw/zinc/45/17/21/556451721.db2.gz QTVQYQGHFGASNB-JOCHJYFZSA-N 1 1 469.969 4.969 50 0 JJAAMO COc1ccc(OC)c([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCCCC2)c1 ZINC000032623093 556453024 /nfs/dbraw/zinc/45/30/24/556453024.db2.gz VPIVOEJEGIYUEZ-XMMPIXPASA-N 1 1 463.578 4.933 50 0 JJAAMO COc1ccc(OC)c([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCCCC2)c1 ZINC000032623095 556453045 /nfs/dbraw/zinc/45/30/45/556453045.db2.gz VPIVOEJEGIYUEZ-DEOSSOPVSA-N 1 1 463.578 4.933 50 0 JJAAMO CCOc1cc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc(-c2ccccc2)c1OC ZINC000032728277 556476889 /nfs/dbraw/zinc/47/68/89/556476889.db2.gz DOKVZNZXUZXBBF-JOCHJYFZSA-N 1 1 473.617 4.701 50 0 JJAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000032751381 556485548 /nfs/dbraw/zinc/48/55/48/556485548.db2.gz FQQSDQVJPLNFBB-QFIPXVFZSA-N 1 1 471.557 4.681 50 0 JJAAMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1c(-c2ccccc2)nc2ccccn21 ZINC000032751381 556485553 /nfs/dbraw/zinc/48/55/53/556485553.db2.gz FQQSDQVJPLNFBB-QFIPXVFZSA-N 1 1 471.557 4.681 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)C1 ZINC000032885684 556522653 /nfs/dbraw/zinc/52/26/53/556522653.db2.gz GOSHZWVZYZSJKG-CALCHBBNSA-N 1 1 475.058 4.765 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)C1 ZINC000032885684 556522657 /nfs/dbraw/zinc/52/26/57/556522657.db2.gz GOSHZWVZYZSJKG-CALCHBBNSA-N 1 1 475.058 4.765 50 0 JJAAMO Cc1cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617171 562948197 /nfs/dbraw/zinc/94/81/97/562948197.db2.gz SNBVZJFNNGEKHU-MHZLTWQESA-N 1 1 473.548 4.554 50 0 JJAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617167 562948200 /nfs/dbraw/zinc/94/82/00/562948200.db2.gz IFPDQDQOWSFWFJ-HHHXNRCGSA-N 1 1 473.548 4.554 50 0 aggregator JJAAMO C[C@H](C[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1 ZINC000051217891 563204777 /nfs/dbraw/zinc/20/47/77/563204777.db2.gz DRIMIUYGTDAQOX-QGZVFWFLSA-N 1 1 462.981 4.592 50 0 in-vitro JJAAMO COc1ccc(-c2coc3c(C)c(OCC[NH+]4CCN(c5ccccc5)CC4)ccc3c2=O)cc1 ZINC000054307057 569589815 /nfs/dbraw/zinc/58/98/15/569589815.db2.gz RPTKVGRMFNJYBC-UHFFFAOYSA-N 1 1 470.569 4.978 50 0 biogenic JJAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1Cl ZINC000033326862 569623910 /nfs/dbraw/zinc/62/39/10/569623910.db2.gz AJJCXTBBMPWITJ-UHFFFAOYSA-N 1 1 473.986 4.592 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000033704907 569631149 /nfs/dbraw/zinc/63/11/49/569631149.db2.gz BACBBWRARCHFCT-SBUWMIOTSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCCC[C@H](CC)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000033704907 569631150 /nfs/dbraw/zinc/63/11/50/569631150.db2.gz BACBBWRARCHFCT-SBUWMIOTSA-N 1 1 460.659 4.705 50 0 biogenic JJAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc(C)[nH+]1 ZINC000064801776 569631611 /nfs/dbraw/zinc/63/16/11/569631611.db2.gz WQPQQUDDYYWEGG-UHFFFAOYSA-N 1 1 451.474 4.780 50 0 JJAAMO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000064816510 569633604 /nfs/dbraw/zinc/63/36/04/569633604.db2.gz GDTRRSUHHYWHLH-UHFFFAOYSA-N 1 1 490.648 4.833 50 0 JJAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1)Cc1ccccc1 ZINC000064872983 569640766 /nfs/dbraw/zinc/64/07/66/569640766.db2.gz PHFGAKUEXAOBEW-UHFFFAOYSA-N 1 1 475.612 4.528 50 0 JJAAMO O=C(Cc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681759 569643612 /nfs/dbraw/zinc/64/36/12/569643612.db2.gz FQMUEDPWYSTVMT-UHFFFAOYSA-N 1 1 468.523 4.994 50 0 JJAAMO C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@@H+]1Cc1ccoc1 ZINC000034707911 569650048 /nfs/dbraw/zinc/65/00/48/569650048.db2.gz KBEAPCTWUXBWMB-HNNXBMFYSA-N 1 1 464.982 4.963 50 0 JJAAMO C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC[N@H+]1Cc1ccoc1 ZINC000034707911 569650049 /nfs/dbraw/zinc/65/00/49/569650049.db2.gz KBEAPCTWUXBWMB-HNNXBMFYSA-N 1 1 464.982 4.963 50 0 JJAAMO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)o2)cc1 ZINC000065036832 569653605 /nfs/dbraw/zinc/65/36/05/569653605.db2.gz ILYKBYHXKYUNPR-UHFFFAOYSA-N 1 1 489.664 4.991 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787033 569659509 /nfs/dbraw/zinc/65/95/09/569659509.db2.gz ZRYXUPBHWZCFBY-LVXARBLLSA-N 1 1 467.679 4.583 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787033 569659510 /nfs/dbraw/zinc/65/95/10/569659510.db2.gz ZRYXUPBHWZCFBY-LVXARBLLSA-N 1 1 467.679 4.583 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787637 569659773 /nfs/dbraw/zinc/65/97/73/569659773.db2.gz BEFYWYRICMFBPR-AREMUKBSSA-N 1 1 494.060 4.642 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787637 569659774 /nfs/dbraw/zinc/65/97/74/569659774.db2.gz BEFYWYRICMFBPR-AREMUKBSSA-N 1 1 494.060 4.642 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@H](C)C1 ZINC000034829833 569663417 /nfs/dbraw/zinc/66/34/17/569663417.db2.gz HNNLRGIBVCIPSQ-HRFSGMKKSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@H](C)C1 ZINC000034829833 569663419 /nfs/dbraw/zinc/66/34/19/569663419.db2.gz HNNLRGIBVCIPSQ-HRFSGMKKSA-N 1 1 491.632 4.516 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1)Cc1ccccc1 ZINC000035398157 569688863 /nfs/dbraw/zinc/68/88/63/569688863.db2.gz MZOTZJVQUDQVLC-SANMLTNESA-N 1 1 471.649 4.697 50 0 JJAAMO C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4cccn4-c4ccccn4)CC3)c2C1=O ZINC000067758076 569690879 /nfs/dbraw/zinc/69/08/79/569690879.db2.gz CWJFOXJEWFPWGV-FQEVSTJZSA-N 1 1 497.624 4.613 50 0 JJAAMO C[C@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4cccn4-c4ccccn4)CC3)c2C1=O ZINC000067758077 569690883 /nfs/dbraw/zinc/69/08/83/569690883.db2.gz CWJFOXJEWFPWGV-HXUWFJFHSA-N 1 1 497.624 4.613 50 0 JJAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427010 569694028 /nfs/dbraw/zinc/69/40/28/569694028.db2.gz NXWLUGVISBMZGM-HSZRJFAPSA-N 1 1 485.053 4.831 50 0 JJAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427010 569694029 /nfs/dbraw/zinc/69/40/29/569694029.db2.gz NXWLUGVISBMZGM-HSZRJFAPSA-N 1 1 485.053 4.831 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035426992 569694093 /nfs/dbraw/zinc/69/40/93/569694093.db2.gz SRDLWDJJEDMTSN-VWLOTQADSA-N 1 1 494.661 4.577 50 0 JJAAMO CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035426992 569694094 /nfs/dbraw/zinc/69/40/94/569694094.db2.gz SRDLWDJJEDMTSN-VWLOTQADSA-N 1 1 494.661 4.577 50 0 JJAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000089573847 569718959 /nfs/dbraw/zinc/71/89/59/569718959.db2.gz MXEARARUYSRHEG-KGLIPLIRSA-N 1 1 451.880 4.608 50 0 JJAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000089573847 569718961 /nfs/dbraw/zinc/71/89/61/569718961.db2.gz MXEARARUYSRHEG-KGLIPLIRSA-N 1 1 451.880 4.608 50 0 JJAAMO COc1cc2c(cc1Br)n(C)c(CSc1ccccc1)c2C(=O)N1CC[NH+](C)CC1 ZINC000095346333 569722475 /nfs/dbraw/zinc/72/24/75/569722475.db2.gz DYDZJJIFDLQOAX-UHFFFAOYSA-N 1 1 488.451 4.629 50 0 JJAAMO O=C(COc1ccc(Br)cc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000095394256 569723079 /nfs/dbraw/zinc/72/30/79/569723079.db2.gz BNVGSUGVCMJLNR-UHFFFAOYSA-N 1 1 472.210 4.916 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2cccc(F)c2)CC1 ZINC000095545217 569726963 /nfs/dbraw/zinc/72/69/63/569726963.db2.gz DZAYRQGHUNHTLU-UHFFFAOYSA-N 1 1 478.612 4.981 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)CC1 ZINC000095546828 569727269 /nfs/dbraw/zinc/72/72/69/569727269.db2.gz KFPCYUUKRKZEHS-UHFFFAOYSA-N 1 1 491.592 4.736 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccccc2C)CC1 ZINC000095925477 569730084 /nfs/dbraw/zinc/73/00/84/569730084.db2.gz RIOXOCTYMOWQIN-UHFFFAOYSA-N 1 1 463.651 4.769 50 0 JJAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)c2)CC1 ZINC000095926391 569730367 /nfs/dbraw/zinc/73/03/67/569730367.db2.gz MSRIZZNZAVQBHE-UHFFFAOYSA-N 1 1 489.670 4.735 50 0 JJAAMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991596 569744535 /nfs/dbraw/zinc/74/45/35/569744535.db2.gz JGMZERSLIBERFO-RUZDIDTESA-N 1 1 463.578 4.724 50 0 JJAAMO CCCN(CCC(=O)N1CC[NH+](CC)CC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008144 569747869 /nfs/dbraw/zinc/74/78/69/569747869.db2.gz VJZNHJUMVYXISU-UHFFFAOYSA-N 1 1 466.029 4.721 50 0 JJAAMO COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036040967 569753552 /nfs/dbraw/zinc/75/35/52/569753552.db2.gz ZSVDIPQJSFBRHT-RUZDIDTESA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C(=O)NC[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036040967 569753553 /nfs/dbraw/zinc/75/35/53/569753553.db2.gz ZSVDIPQJSFBRHT-RUZDIDTESA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043007 569754380 /nfs/dbraw/zinc/75/43/80/569754380.db2.gz LVZCUDIOERYWFV-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccc(C)cc2)cc1 ZINC000036043007 569754382 /nfs/dbraw/zinc/75/43/82/569754382.db2.gz LVZCUDIOERYWFV-WTYVLRPYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042995 569754444 /nfs/dbraw/zinc/75/44/44/569754444.db2.gz ZDBULOYQODXNSB-HMILPKGGSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042995 569754445 /nfs/dbraw/zinc/75/44/45/569754445.db2.gz ZDBULOYQODXNSB-HMILPKGGSA-N 1 1 490.600 4.639 50 0 JJAAMO CCCCc1ccc(C(=O)N2CC[NH+]([C@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036250300 569758310 /nfs/dbraw/zinc/75/83/10/569758310.db2.gz KACMVMKXMDONNW-NVQXNPDNSA-N 1 1 453.671 4.747 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301809 569759202 /nfs/dbraw/zinc/75/92/02/569759202.db2.gz VADCVBSPMFHWJA-QFIPXVFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301809 569759203 /nfs/dbraw/zinc/75/92/03/569759203.db2.gz VADCVBSPMFHWJA-QFIPXVFZSA-N 1 1 455.986 4.988 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(C)cc1 ZINC000036312153 569760039 /nfs/dbraw/zinc/76/00/39/569760039.db2.gz NYHUCQCLWGJFOU-FQEVSTJZSA-N 1 1 464.585 4.982 50 0 JJAAMO CC(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccco1 ZINC000036312285 569760051 /nfs/dbraw/zinc/76/00/51/569760051.db2.gz JQEMROMWBAEFFR-UHFFFAOYSA-N 1 1 454.546 4.514 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(OC)cc1 ZINC000036312144 569760121 /nfs/dbraw/zinc/76/01/21/569760121.db2.gz CYIAYKBRWGOBPB-LJQANCHMSA-N 1 1 480.584 4.682 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313043 569760663 /nfs/dbraw/zinc/76/06/63/569760663.db2.gz IUHXWYFULOXPRA-HSZRJFAPSA-N 1 1 465.594 4.715 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313042 569760666 /nfs/dbraw/zinc/76/06/66/569760666.db2.gz IUHXWYFULOXPRA-QHCPKHFHSA-N 1 1 465.594 4.715 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313832 569761199 /nfs/dbraw/zinc/76/11/99/569761199.db2.gz JZLDXXRAIQEOEP-QHCPKHFHSA-N 1 1 485.600 4.645 50 0 JJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036313876 569761487 /nfs/dbraw/zinc/76/14/87/569761487.db2.gz ZRBFXINUNJOITE-QHCPKHFHSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036313876 569761488 /nfs/dbraw/zinc/76/14/88/569761488.db2.gz ZRBFXINUNJOITE-QHCPKHFHSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313943 569761538 /nfs/dbraw/zinc/76/15/38/569761538.db2.gz YYCLNHPXEHMKHG-QFIPXVFZSA-N 1 1 467.610 4.888 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036313961 569761550 /nfs/dbraw/zinc/76/15/50/569761550.db2.gz MZRPBXXRJOLCOJ-XMMPIXPASA-N 1 1 481.637 4.814 50 0 JJAAMO Fc1ccc(Br)cc1[C@H]1C=C(c2ccc(Br)s2)[NH+]=C2N=CNN21 ZINC000100492915 569762146 /nfs/dbraw/zinc/76/21/46/569762146.db2.gz AIGPQSVZUISQKQ-GFCCVEGCSA-N 1 1 456.138 4.713 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036342083 569765224 /nfs/dbraw/zinc/76/52/24/569765224.db2.gz DTFPJQPWCQVBCM-HSZRJFAPSA-N 1 1 453.558 4.862 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036342083 569765225 /nfs/dbraw/zinc/76/52/25/569765225.db2.gz DTFPJQPWCQVBCM-HSZRJFAPSA-N 1 1 453.558 4.862 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036342049 569765295 /nfs/dbraw/zinc/76/52/95/569765295.db2.gz BQYRVWPQALVSIV-HSZRJFAPSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036342049 569765297 /nfs/dbraw/zinc/76/52/97/569765297.db2.gz BQYRVWPQALVSIV-HSZRJFAPSA-N 1 1 485.600 4.737 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343844 569766473 /nfs/dbraw/zinc/76/64/73/569766473.db2.gz HKABROCCWZPKHB-NLFFAJNJSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343844 569766474 /nfs/dbraw/zinc/76/64/74/569766474.db2.gz HKABROCCWZPKHB-NLFFAJNJSA-N 1 1 482.024 4.910 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344486 569767089 /nfs/dbraw/zinc/76/70/89/569767089.db2.gz ROPCLLGKFBJPOY-VWLOTQADSA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344486 569767091 /nfs/dbraw/zinc/76/70/91/569767091.db2.gz ROPCLLGKFBJPOY-VWLOTQADSA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344501 569767168 /nfs/dbraw/zinc/76/71/68/569767168.db2.gz OZXXAHFAEZJAPD-RUZDIDTESA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344501 569767169 /nfs/dbraw/zinc/76/71/69/569767169.db2.gz OZXXAHFAEZJAPD-RUZDIDTESA-N 1 1 461.537 4.653 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)C(C)C ZINC000036346565 569770118 /nfs/dbraw/zinc/77/01/18/569770118.db2.gz RBJJZGQCMXAOIU-QHCPKHFHSA-N 1 1 459.537 4.717 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)C(C)C ZINC000036346565 569770119 /nfs/dbraw/zinc/77/01/19/569770119.db2.gz RBJJZGQCMXAOIU-QHCPKHFHSA-N 1 1 459.537 4.717 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC ZINC000036346672 569770635 /nfs/dbraw/zinc/77/06/35/569770635.db2.gz QKTSHMOZZUXPFN-JOCHJYFZSA-N 1 1 459.537 4.861 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC ZINC000036346765 569770834 /nfs/dbraw/zinc/77/08/34/569770834.db2.gz FGXFKHKIMRDNLO-QFIPXVFZSA-N 1 1 459.537 4.861 50 0 JJAAMO COc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCN(c3ccccc3)CC2)cc1 ZINC000036370364 569773424 /nfs/dbraw/zinc/77/34/24/569773424.db2.gz DWVZHPMSRAFMPR-UHFFFAOYSA-N 1 1 453.542 4.810 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCC[N@H+]1CCCC[C@@H]1C)C3=O ZINC000037006480 569780978 /nfs/dbraw/zinc/78/09/78/569780978.db2.gz PYLGGNNNURAQMJ-LGGPFLRQSA-N 1 1 494.680 4.578 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCC[N@H+]1CCCC[C@H]1C)C3=O ZINC000037006478 569781013 /nfs/dbraw/zinc/78/10/13/569781013.db2.gz PYLGGNNNURAQMJ-PBBNMVCDSA-N 1 1 494.680 4.578 50 0 JJAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)c1ccc(F)cc1 ZINC000037378409 569784625 /nfs/dbraw/zinc/78/46/25/569784625.db2.gz NDSCHIGMCLUIBA-UHFFFAOYSA-N 1 1 472.539 4.981 50 0 JJAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)c1ccc(F)cc1 ZINC000037378409 569784626 /nfs/dbraw/zinc/78/46/26/569784626.db2.gz NDSCHIGMCLUIBA-UHFFFAOYSA-N 1 1 472.539 4.981 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@@H](C)N(c2nc(-c3ccc(OC)cc3)cs2)c2ccc(OC)cc2)CC1 ZINC000037438810 569790489 /nfs/dbraw/zinc/79/04/89/569790489.db2.gz YBQKVXZSKQRELX-LJQANCHMSA-N 1 1 480.634 4.518 50 0 JJAAMO O=C(c1cc2sccc2n1Cc1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000037526160 569793734 /nfs/dbraw/zinc/79/37/34/569793734.db2.gz HXAFPWAMYIIXBE-UHFFFAOYSA-N 1 1 451.542 4.987 50 0 JJAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037570695 569795882 /nfs/dbraw/zinc/79/58/82/569795882.db2.gz OFMQBIKNGOMFHG-UHFFFAOYSA-N 1 1 460.521 4.964 50 0 JJAAMO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546489 569803253 /nfs/dbraw/zinc/80/32/53/569803253.db2.gz PWFLNOOZJYMCMX-XMMPIXPASA-N 1 1 465.619 4.818 50 0 JJAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546519 569803300 /nfs/dbraw/zinc/80/33/00/569803300.db2.gz XJKGTZXWQFTBHO-DEOSSOPVSA-N 1 1 479.602 4.538 50 0 JJAAMO C[C@H](Nc1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3)c1ccc(NS(C)(=O)=O)cc1 ZINC000040149326 569818878 /nfs/dbraw/zinc/81/88/78/569818878.db2.gz DJFABJGXVOCASE-KRWDZBQOSA-N 1 1 499.706 4.957 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)C1 ZINC000103722959 569837462 /nfs/dbraw/zinc/83/74/62/569837462.db2.gz VCEBYYHMPKPPLO-UETOGOEVSA-N 1 1 478.681 4.673 50 0 JJAAMO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)c(C)c3)c[nH+]c3cc4c(cc32)OCO4)CC1 ZINC000049421501 569847450 /nfs/dbraw/zinc/84/74/50/569847450.db2.gz CZDVFTXEBIDBKJ-UHFFFAOYSA-N 1 1 460.530 4.591 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983052 569848062 /nfs/dbraw/zinc/84/80/62/569848062.db2.gz AGJKXWSYWWOTJH-ISKFKSNPSA-N 1 1 454.954 4.506 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983640 569848168 /nfs/dbraw/zinc/84/81/68/569848168.db2.gz CUZFNRYZTOZFNS-WOJBJXKFSA-N 1 1 497.394 4.832 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983650 569848256 /nfs/dbraw/zinc/84/82/56/569848256.db2.gz KUGYQGVEARKLOY-RTBURBONSA-N 1 1 497.394 4.832 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983650 569848258 /nfs/dbraw/zinc/84/82/58/569848258.db2.gz KUGYQGVEARKLOY-RTBURBONSA-N 1 1 497.394 4.832 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984050 569848393 /nfs/dbraw/zinc/84/83/93/569848393.db2.gz FCLDFVNKIDREPH-ISKFKSNPSA-N 1 1 454.954 4.506 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984393 569848446 /nfs/dbraw/zinc/84/84/46/569848446.db2.gz PBUHDAYBEHVKPZ-WOJBJXKFSA-N 1 1 451.394 4.775 50 0 JJAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003253 569849134 /nfs/dbraw/zinc/84/91/34/569849134.db2.gz XWOOFBOABZCMQQ-RSXGOPAZSA-N 1 1 493.648 4.955 50 0 JJAAMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868446 569853519 /nfs/dbraw/zinc/85/35/19/569853519.db2.gz RDHGANXPSWXRPB-RBUKOAKNSA-N 1 1 473.061 4.690 50 0 JJAAMO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000109047194 569860493 /nfs/dbraw/zinc/86/04/93/569860493.db2.gz AMTWGMKSVJXGJZ-GJZUVCINSA-N 1 1 491.657 4.809 50 0 JJAAMO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677270 569868665 /nfs/dbraw/zinc/86/86/65/569868665.db2.gz VSMLTCWYMIJBLE-ZCYQVOJMSA-N 1 1 489.582 4.610 50 0 JJAAMO COc1ccc(C2=NO[C@@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000169677620 569868834 /nfs/dbraw/zinc/86/88/34/569868834.db2.gz YKBSAKYVPVDQGO-XNMGPUDCSA-N 1 1 495.019 4.922 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@H+]5CCCC[C@@H]35)CO4)c2=O)cc1OC ZINC000229711447 570041084 /nfs/dbraw/zinc/04/10/84/570041084.db2.gz LCHPQVANSHXVPE-YKSBVNFPSA-N 1 1 490.600 4.894 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129855 570045408 /nfs/dbraw/zinc/04/54/08/570045408.db2.gz ZUOSWMRSYAMCFH-BDYUSTAISA-N 1 1 494.010 4.667 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000245228547 570055539 /nfs/dbraw/zinc/05/55/39/570055539.db2.gz LBPCMQHXRCHVBN-FOVJLYNBSA-N 1 1 451.636 4.572 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245257911 570060833 /nfs/dbraw/zinc/06/08/33/570060833.db2.gz HMIFGEBAMWSFOP-GJZUVCINSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245257911 570060834 /nfs/dbraw/zinc/06/08/34/570060834.db2.gz HMIFGEBAMWSFOP-GJZUVCINSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245257911 570060836 /nfs/dbraw/zinc/06/08/36/570060836.db2.gz HMIFGEBAMWSFOP-GJZUVCINSA-N 1 1 477.605 4.525 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245257911 570060837 /nfs/dbraw/zinc/06/08/37/570060837.db2.gz HMIFGEBAMWSFOP-GJZUVCINSA-N 1 1 477.605 4.525 50 0 JJAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245261283 570060855 /nfs/dbraw/zinc/06/08/55/570060855.db2.gz AOHCRGBTPUFLDL-MTTGRASBSA-N 1 1 484.710 4.877 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281487 570062237 /nfs/dbraw/zinc/06/22/37/570062237.db2.gz ZVMZHNFDDRTYME-AZGAKELHSA-N 1 1 493.648 4.894 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245328437 570065857 /nfs/dbraw/zinc/06/58/57/570065857.db2.gz OMUPCLKZZHPLQY-DHIUTWEWSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245328437 570065859 /nfs/dbraw/zinc/06/58/59/570065859.db2.gz OMUPCLKZZHPLQY-DHIUTWEWSA-N 1 1 497.611 4.745 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245329282 570066360 /nfs/dbraw/zinc/06/63/60/570066360.db2.gz SMBATYQMRHEGTF-RBTNQOKQSA-N 1 1 479.690 4.725 50 0 JJAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)CCC1CCCC1 ZINC000245329282 570066361 /nfs/dbraw/zinc/06/63/61/570066361.db2.gz SMBATYQMRHEGTF-RBTNQOKQSA-N 1 1 479.690 4.725 50 0 JJAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247499994 570068377 /nfs/dbraw/zinc/06/83/77/570068377.db2.gz PMTHPTRFZIRITQ-QFIPXVFZSA-N 1 1 456.565 4.736 50 0 JJAAMO O=C(Nc1cccnc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247517721 570068461 /nfs/dbraw/zinc/06/84/61/570068461.db2.gz WHDMILRSDVEOLG-FQEVSTJZSA-N 1 1 459.981 4.984 50 0 JJAAMO O=C(Nc1cccnc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247517721 570068462 /nfs/dbraw/zinc/06/84/62/570068462.db2.gz WHDMILRSDVEOLG-FQEVSTJZSA-N 1 1 459.981 4.984 50 0 JJAAMO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000247746897 570069164 /nfs/dbraw/zinc/06/91/64/570069164.db2.gz REIKCLCKTQUTHI-RBBKRZOGSA-N 1 1 463.931 4.501 50 0 JJAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247853195 570070099 /nfs/dbraw/zinc/07/00/99/570070099.db2.gz JKMOOPZFMCSURT-QHCPKHFHSA-N 1 1 497.618 4.725 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NC4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247902523 570071085 /nfs/dbraw/zinc/07/10/85/570071085.db2.gz REWJJDSMFDYXOU-JOCHJYFZSA-N 1 1 460.622 4.754 50 0 JJAAMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247962549 570071679 /nfs/dbraw/zinc/07/16/79/570071679.db2.gz AGLFEHWQQAZKGK-QGZVFWFLSA-N 1 1 455.400 4.526 50 0 JJAAMO CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1)C(C)C ZINC000247980971 570072134 /nfs/dbraw/zinc/07/21/34/570072134.db2.gz HCYGREGGEBTPGV-HSZRJFAPSA-N 1 1 462.638 4.952 50 0 JJAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248017464 570072913 /nfs/dbraw/zinc/07/29/13/570072913.db2.gz TTXJJCYTYZOULJ-XMMPIXPASA-N 1 1 473.665 4.795 50 0 JJAAMO CCCN(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248037386 570073074 /nfs/dbraw/zinc/07/30/74/570073074.db2.gz UXBJLPSRSDKVLC-UHFFFAOYSA-N 1 1 469.427 4.868 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248079617 570073622 /nfs/dbraw/zinc/07/36/22/570073622.db2.gz CMIBTSDRLYJTPQ-FQUZAXHOSA-N 1 1 483.955 4.803 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248079617 570073623 /nfs/dbraw/zinc/07/36/23/570073623.db2.gz CMIBTSDRLYJTPQ-FQUZAXHOSA-N 1 1 483.955 4.803 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000248107342 570074049 /nfs/dbraw/zinc/07/40/49/570074049.db2.gz PNKCHSXWLUQKDV-UZUQRXQVSA-N 1 1 455.986 4.909 50 0 JJAAMO CCCCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248214707 570076343 /nfs/dbraw/zinc/07/63/43/570076343.db2.gz FUGTZWLRYUVNMZ-UHFFFAOYSA-N 1 1 469.427 4.916 50 0 JJAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248277528 570077463 /nfs/dbraw/zinc/07/74/63/570077463.db2.gz ZFVYNTXHMMRZRZ-GOSISDBHSA-N 1 1 469.427 4.868 50 0 JJAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(C(C)C)cc4)CC3)C2)nc2ccccc21 ZINC000252079267 570079809 /nfs/dbraw/zinc/07/98/09/570079809.db2.gz FCRDFLOWIKUWIM-DEOSSOPVSA-N 1 1 473.665 4.740 50 0 JJAAMO Cc1cc2oc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)[NH+](C)C)cc(=O)c2cc1Cl ZINC000252499452 570082241 /nfs/dbraw/zinc/08/22/41/570082241.db2.gz SAUXKYKODVAREE-KRWDZBQOSA-N 1 1 452.860 4.806 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000000843551 193923841 /nfs/dbraw/zinc/92/38/41/193923841.db2.gz NVOFCQQDDIVHLH-UIOOFZCWSA-N 1 1 468.513 4.517 50 0 JJAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1-c1ccc(Cl)cc1 ZINC000003059443 194221981 /nfs/dbraw/zinc/22/19/81/194221981.db2.gz IPMLMTVGAGLASB-UHFFFAOYSA-N 1 1 475.980 4.717 50 0 JJAAMO CC(C)[N@@H+](C[C@H](O)COCc1ccccc1Cl)C[C@H](O)COc1cccc2ccccc21 ZINC000003407068 194314103 /nfs/dbraw/zinc/31/41/03/194314103.db2.gz DQYQYRAEMPPNHJ-GOTSBHOMSA-N 1 1 457.998 4.521 50 0 JJAAMO COc1ccc([S@@](=O)Cc2ccc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)o2)cc1 ZINC000009115735 194535699 /nfs/dbraw/zinc/53/56/99/194535699.db2.gz CCINWZJMOWJCFX-MGBGTMOVSA-N 1 1 468.619 4.627 50 0 JJAAMO CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289321 194665235 /nfs/dbraw/zinc/66/52/35/194665235.db2.gz ZGYBONLZZLLUEJ-UYAOXDASSA-N 1 1 454.640 4.642 50 0 JJAAMO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000009933463 195025218 /nfs/dbraw/zinc/02/52/18/195025218.db2.gz RMJWXOJJPWSIQL-UHFFFAOYSA-N 1 1 491.657 4.543 50 0 JJAAMO CC[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000012768567 195115881 /nfs/dbraw/zinc/11/58/81/195115881.db2.gz IFFNTXTXJWHUIH-UHFFFAOYSA-N 1 1 474.561 4.727 50 0 JJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000012769764 195116577 /nfs/dbraw/zinc/11/65/77/195116577.db2.gz ZOWITIXTCNQUDQ-HSZRJFAPSA-N 1 1 490.050 4.504 50 0 JJAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)C1 ZINC000012772987 195119035 /nfs/dbraw/zinc/11/90/35/195119035.db2.gz OELOUXSZYWPKDL-IBGZPJMESA-N 1 1 451.596 4.517 50 0 JJAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(I)cc1 ZINC000012782226 195125280 /nfs/dbraw/zinc/12/52/80/195125280.db2.gz DPBYTSSOVCIIHP-LJQANCHMSA-N 1 1 466.319 4.810 50 0 JJAAMO CCOc1ccccc1CN1C(=O)c2ccccc2[C@H]1C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000020686923 195205284 /nfs/dbraw/zinc/20/52/84/195205284.db2.gz OGFUFAPTRXGLBA-UZINWLIJSA-N 1 1 463.622 4.552 50 0 JJAAMO O=C(CN1C(=O)/C(=C/c2ccccc2)Sc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020726688 195207793 /nfs/dbraw/zinc/20/77/93/195207793.db2.gz TTXUINLRZBCZSG-XHPQRKPJSA-N 1 1 469.610 4.511 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)C1 ZINC000020726769 195207908 /nfs/dbraw/zinc/20/79/08/195207908.db2.gz OFVOCCGLUVDJGB-ZRRUGVMFSA-N 1 1 463.647 4.651 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726743 195207912 /nfs/dbraw/zinc/20/79/12/195207912.db2.gz KZNVGKWUGYXXMO-AEPTXUNZSA-N 1 1 463.647 4.937 50 0 JJAAMO CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020761169 195217864 /nfs/dbraw/zinc/21/78/64/195217864.db2.gz QWNZFUCUWBBQEK-UHFFFAOYSA-N 1 1 477.580 4.514 50 0 JJAAMO O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000020761960 195218200 /nfs/dbraw/zinc/21/82/00/195218200.db2.gz KRFGUNIQTUFOKB-WUFINQPMSA-N 1 1 473.661 4.515 50 0 biogenic JJAAMO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CO4)c(OC)c1 ZINC000020763405 195219523 /nfs/dbraw/zinc/21/95/23/195219523.db2.gz LVPHRICAQHKGBX-NBGIEHNGSA-N 1 1 490.600 4.894 50 0 biogenic JJAAMO C[N@@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000020902841 195241997 /nfs/dbraw/zinc/24/19/97/195241997.db2.gz PKOJSLXHXFNGRH-PMERELPUSA-N 1 1 486.660 4.827 50 0 JJAAMO C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCC[N@H+]1CCc2ccccc2C1 ZINC000020902863 195242359 /nfs/dbraw/zinc/24/23/59/195242359.db2.gz UJBQSKCMONZCDY-WJOKGBTCSA-N 1 1 498.671 4.753 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000020904349 195244279 /nfs/dbraw/zinc/24/42/79/195244279.db2.gz FOCFZJIGBFDPMI-SXOMAYOGSA-N 1 1 487.669 4.859 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000020927863 195249549 /nfs/dbraw/zinc/24/95/49/195249549.db2.gz CCULZWAKSXRYGP-GOSISDBHSA-N 1 1 471.001 4.648 50 0 JJAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)cc1 ZINC000021017207 195266977 /nfs/dbraw/zinc/26/69/77/195266977.db2.gz VWNOHWXUSXATPV-UHFFFAOYSA-N 1 1 452.558 4.633 50 0 JJAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)sc2C1 ZINC000021294340 195293311 /nfs/dbraw/zinc/29/33/11/195293311.db2.gz RKUJOQUGGSQQEV-UHFFFAOYSA-N 1 1 455.584 4.680 50 0 JJAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)sc2C1 ZINC000021294340 195293314 /nfs/dbraw/zinc/29/33/14/195293314.db2.gz RKUJOQUGGSQQEV-UHFFFAOYSA-N 1 1 455.584 4.680 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021364823 195299821 /nfs/dbraw/zinc/29/98/21/195299821.db2.gz ZELVVVJQCZCSFK-MUUNZHRXSA-N 1 1 482.669 4.924 50 0 JJAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000021367937 195300118 /nfs/dbraw/zinc/30/01/18/195300118.db2.gz PSFGQFXWDLOIRE-IBGZPJMESA-N 1 1 467.953 4.561 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526710 195305206 /nfs/dbraw/zinc/30/52/06/195305206.db2.gz LDQYQRSSPKCHRS-NDEPHWFRSA-N 1 1 482.669 4.942 50 0 JJAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000021794864 195321973 /nfs/dbraw/zinc/32/19/73/195321973.db2.gz HEYFIJXJPPGVBI-UHFFFAOYSA-N 1 1 467.595 4.637 50 0 JJAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2cc(-c3cccnc3)nc3ccccc32)CC1 ZINC000021935364 195336293 /nfs/dbraw/zinc/33/62/93/195336293.db2.gz FSRVWGVCMHNVQS-UHFFFAOYSA-N 1 1 486.019 4.811 50 0 JJAAMO O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000058009045 195361894 /nfs/dbraw/zinc/36/18/94/195361894.db2.gz SGYJOAYHJCGKJY-UHFFFAOYSA-N 1 1 469.935 4.836 50 0 JJAAMO O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000058009045 195361896 /nfs/dbraw/zinc/36/18/96/195361896.db2.gz SGYJOAYHJCGKJY-UHFFFAOYSA-N 1 1 469.935 4.836 50 0 JJAAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000058160087 195368278 /nfs/dbraw/zinc/36/82/78/195368278.db2.gz XHZQYLSSWLZLOU-HSZRJFAPSA-N 1 1 474.630 4.973 50 0 JJAAMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000058160087 195368280 /nfs/dbraw/zinc/36/82/80/195368280.db2.gz XHZQYLSSWLZLOU-HSZRJFAPSA-N 1 1 474.630 4.973 50 0 JJAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000058175447 195371841 /nfs/dbraw/zinc/37/18/41/195371841.db2.gz YHZQICPQUJTQPP-RUZDIDTESA-N 1 1 475.520 4.585 50 0 JJAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000058175446 195371871 /nfs/dbraw/zinc/37/18/71/195371871.db2.gz YHZQICPQUJTQPP-VWLOTQADSA-N 1 1 475.520 4.585 50 0 JJAAMO Cc1ccc2c(c1)OC[C@@H](CC(=O)N1CC[NH+](Cc3ccccc3)CC1)N2Cc1ccc(F)cc1 ZINC000096323010 130067384 /nfs/dbraw/zinc/06/73/84/130067384.db2.gz NDLDSZDJXKDQTF-AREMUKBSSA-N 1 1 473.592 4.636 50 0 JJAAMO CC(C)CC[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036149206 519652721 /nfs/dbraw/zinc/65/27/21/519652721.db2.gz FKTVRACDRXTYPP-AREMUKBSSA-N 1 1 493.648 4.604 50 0 JJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccco1 ZINC000036149179 519717972 /nfs/dbraw/zinc/71/79/72/519717972.db2.gz UFFDCPSPFKPSSE-QFIPXVFZSA-N 1 1 453.583 4.571 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306895 519881431 /nfs/dbraw/zinc/88/14/31/519881431.db2.gz VGWAAPUJLMGHSN-JOCHJYFZSA-N 1 1 495.595 4.935 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307355 520091310 /nfs/dbraw/zinc/09/13/10/520091310.db2.gz XKHAFMFFBDUQOW-QFIPXVFZSA-N 1 1 453.558 4.628 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036304292 520094778 /nfs/dbraw/zinc/09/47/78/520094778.db2.gz FGXWTJJYGOUOOT-QFIPXVFZSA-N 1 1 471.548 4.861 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305017 520154060 /nfs/dbraw/zinc/15/40/60/520154060.db2.gz KSNQSFBPUKPBQQ-HXUWFJFHSA-N 1 1 455.986 4.895 50 0 JJAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794515 520870661 /nfs/dbraw/zinc/87/06/61/520870661.db2.gz RBXQIAXSKYEBEY-UHFFFAOYSA-N 1 1 461.566 4.796 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(C)cc3C)[C@@H](C)C(C)C)n2)C1 ZINC000036065629 521111009 /nfs/dbraw/zinc/11/10/09/521111009.db2.gz OAQQETWGEYMEKU-JTHBVZDNSA-N 1 1 469.626 4.753 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(C)cc3C)[C@@H](C)C(C)C)n2)C1 ZINC000036065629 521111018 /nfs/dbraw/zinc/11/10/18/521111018.db2.gz OAQQETWGEYMEKU-JTHBVZDNSA-N 1 1 469.626 4.753 50 0 JJAAMO CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033068982 521293473 /nfs/dbraw/zinc/29/34/73/521293473.db2.gz GGBGFHJXQAQUMU-UHFFFAOYSA-N 1 1 483.565 4.610 50 0 JJAAMO CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033068982 521293477 /nfs/dbraw/zinc/29/34/77/521293477.db2.gz GGBGFHJXQAQUMU-UHFFFAOYSA-N 1 1 483.565 4.610 50 0 JJAAMO CCOc1ccccc1NC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069218 521525695 /nfs/dbraw/zinc/52/56/95/521525695.db2.gz BYRWINWRCVBMJH-UHFFFAOYSA-N 1 1 466.969 4.982 50 0 JJAAMO CCOc1ccccc1NC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069218 521525704 /nfs/dbraw/zinc/52/57/04/521525704.db2.gz BYRWINWRCVBMJH-UHFFFAOYSA-N 1 1 466.969 4.982 50 0 JJAAMO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014754770 521527760 /nfs/dbraw/zinc/52/77/60/521527760.db2.gz WAVTYHHOGDQHPO-UHFFFAOYSA-N 1 1 490.629 4.638 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3cccc(C)c3)cc2)CC1 ZINC000020415545 521669492 /nfs/dbraw/zinc/66/94/92/521669492.db2.gz PBXDIBIPJMPBDG-UHFFFAOYSA-N 1 1 485.657 4.858 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036249856 521679686 /nfs/dbraw/zinc/67/96/86/521679686.db2.gz KEVKTXGSNIFCST-QHCPKHFHSA-N 1 1 479.621 4.992 50 0 JJAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268832 521684398 /nfs/dbraw/zinc/68/43/98/521684398.db2.gz VPJPFAIPQDFSNU-UHFFFAOYSA-N 1 1 467.566 4.992 50 0 JJAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000022784391 521693404 /nfs/dbraw/zinc/69/34/04/521693404.db2.gz OPNZEGJRNNIVKK-HNAYVOBHSA-N 1 1 467.502 4.564 50 0 JJAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccc(Br)cc2)CC1 ZINC000022784399 521695272 /nfs/dbraw/zinc/69/52/72/521695272.db2.gz OPNZEGJRNNIVKK-KXBFYZLASA-N 1 1 467.502 4.564 50 0 JJAAMO COC(=O)c1sc2nc(C[N@@H+](C)CCOc3ccc(C)cc3)ccc2c1NC(=O)C1CCC1 ZINC000014977094 522432769 /nfs/dbraw/zinc/43/27/69/522432769.db2.gz CXWMUQGKJVBEEZ-UHFFFAOYSA-N 1 1 467.591 4.641 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036303210 522638623 /nfs/dbraw/zinc/63/86/23/522638623.db2.gz UNPWTYUWCIXVID-QHCPKHFHSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036303210 522638636 /nfs/dbraw/zinc/63/86/36/522638636.db2.gz UNPWTYUWCIXVID-QHCPKHFHSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036302894 522640561 /nfs/dbraw/zinc/64/05/61/522640561.db2.gz ZZEZFKOWKQUJOA-XMMPIXPASA-N 1 1 481.637 4.709 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@@H](O)COCC(C)C ZINC000036302894 522640566 /nfs/dbraw/zinc/64/05/66/522640566.db2.gz ZZEZFKOWKQUJOA-XMMPIXPASA-N 1 1 481.637 4.709 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021810706 522745134 /nfs/dbraw/zinc/74/51/34/522745134.db2.gz JTPZQKXLOULWKA-MHZLTWQESA-N 1 1 468.642 4.552 50 0 JJAAMO CC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301942 522807969 /nfs/dbraw/zinc/80/79/69/522807969.db2.gz UYNFSPBCAAYCKM-NRFANRHFSA-N 1 1 461.965 4.985 50 0 JJAAMO CC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1cccc(F)c1 ZINC000036301942 522807976 /nfs/dbraw/zinc/80/79/76/522807976.db2.gz UYNFSPBCAAYCKM-NRFANRHFSA-N 1 1 461.965 4.985 50 0 JJAAMO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccc(C(C)C)cc2)CC3)o1 ZINC000012244227 522960204 /nfs/dbraw/zinc/96/02/04/522960204.db2.gz UIJARWJGDONLCU-DEOSSOPVSA-N 1 1 493.652 4.716 50 0 JJAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309678 522990125 /nfs/dbraw/zinc/99/01/25/522990125.db2.gz IYPMEVAZYMZVCI-OFNKIYASSA-N 1 1 462.631 4.511 50 0 JJAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310124 522990247 /nfs/dbraw/zinc/99/02/47/522990247.db2.gz YLXDLMZVCJHGDX-VWNXMTODSA-N 1 1 472.695 4.989 50 0 JJAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000033377017 523042830 /nfs/dbraw/zinc/04/28/30/523042830.db2.gz FGXCTOGPMWLOIZ-NLFFAJNJSA-N 1 1 474.022 4.944 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)Cc4ccccc4)nc(=O)c23)cc1 ZINC000036206270 523172722 /nfs/dbraw/zinc/17/27/22/523172722.db2.gz PQAVMHNMGWIILN-OAQYLSRUSA-N 1 1 477.630 4.722 50 0 JJAAMO CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCC[NH+]4CCOCC4)c23)CO1 ZINC000020461195 523729056 /nfs/dbraw/zinc/72/90/56/523729056.db2.gz HLQNDXWCYGOHLH-QFIPXVFZSA-N 1 1 450.674 4.567 50 0 JJAAMO COCC[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000012244621 523761691 /nfs/dbraw/zinc/76/16/91/523761691.db2.gz FBDUEJNOJLYMGS-MHZLTWQESA-N 1 1 496.099 4.749 50 0 JJAAMO COCC[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000012244621 523761694 /nfs/dbraw/zinc/76/16/94/523761694.db2.gz FBDUEJNOJLYMGS-MHZLTWQESA-N 1 1 496.099 4.749 50 0 JJAAMO COc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022573586 523781369 /nfs/dbraw/zinc/78/13/69/523781369.db2.gz GECSPNPCIHUMJY-UHFFFAOYSA-N 1 1 467.569 4.805 50 0 JJAAMO C[NH+]1CCN(CCCNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000022810709 523899253 /nfs/dbraw/zinc/89/92/53/523899253.db2.gz HZEKLXKPSMNQBZ-UHFFFAOYSA-N 1 1 453.681 4.522 50 0 JJAAMO CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)o1 ZINC000014958640 523929360 /nfs/dbraw/zinc/92/93/60/523929360.db2.gz OXXHSNUIGFOIFI-XMMPIXPASA-N 1 1 463.626 4.626 50 0 JJAAMO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@@H+](C)Cc1ccccc1 ZINC000021811406 524141005 /nfs/dbraw/zinc/14/10/05/524141005.db2.gz WCLOMZOYASIYID-XZFDQLJLSA-N 1 1 490.648 4.666 50 0 JJAAMO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000021880368 524348967 /nfs/dbraw/zinc/34/89/67/524348967.db2.gz DJJHPONXPZJUFC-UHFFFAOYSA-N 1 1 481.666 4.837 50 0 JJAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249835 524969356 /nfs/dbraw/zinc/96/93/56/524969356.db2.gz AUJNWQSCQDPWFB-QHCPKHFHSA-N 1 1 477.605 4.745 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306086 524989807 /nfs/dbraw/zinc/98/98/07/524989807.db2.gz OLQSORCLUWDPCG-QFIPXVFZSA-N 1 1 467.610 4.884 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306185 524990506 /nfs/dbraw/zinc/99/05/06/524990506.db2.gz HMJPTALHVASQLD-JOCHJYFZSA-N 1 1 465.594 4.638 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000002416132 525395642 /nfs/dbraw/zinc/39/56/42/525395642.db2.gz OGRCPEPCFPPYLK-UIOOFZCWSA-N 1 1 470.504 4.956 50 0 JJAAMO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000035461415 525675203 /nfs/dbraw/zinc/67/52/03/525675203.db2.gz RQCSRACEJIXYRQ-OAQYLSRUSA-N 1 1 467.683 4.533 50 0 JJAAMO Cc1cc2nc(N3CCC[N@H+](C4CCN(CCc5ccccc5)CC4)CC3)nc(C)c2cc1C ZINC000014968055 525676666 /nfs/dbraw/zinc/67/66/66/525676666.db2.gz LYPXUZFHIKUBHA-UHFFFAOYSA-N 1 1 457.666 4.774 50 0 JJAAMO Cc1cc2nc(N3CCCN(C4CC[NH+](CCc5ccccc5)CC4)CC3)nc(C)c2cc1C ZINC000014968055 525676676 /nfs/dbraw/zinc/67/66/76/525676676.db2.gz LYPXUZFHIKUBHA-UHFFFAOYSA-N 1 1 457.666 4.774 50 0 JJAAMO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000022698273 525785047 /nfs/dbraw/zinc/78/50/47/525785047.db2.gz QUGYMCQEDBTENC-NDEPHWFRSA-N 1 1 487.575 4.863 50 0 JJAAMO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)c1 ZINC000014990536 525826490 /nfs/dbraw/zinc/82/64/90/525826490.db2.gz GAZAHHXATXKEKC-QFIPXVFZSA-N 1 1 495.627 4.811 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc(C)cc3C)CC2)cc1 ZINC000033139738 525826423 /nfs/dbraw/zinc/82/64/23/525826423.db2.gz IRRKXTQZCCTXTF-UHFFFAOYSA-N 1 1 468.605 4.873 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000033139748 525826761 /nfs/dbraw/zinc/82/67/61/525826761.db2.gz KBYJEELFEAINFE-UHFFFAOYSA-N 1 1 476.531 4.535 50 0 JJAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccccc3)C[C@H](O)COCc3ccco3)n2)cc1Cl ZINC000036147716 525878783 /nfs/dbraw/zinc/87/87/83/525878783.db2.gz DDSLTBJUGPAIFX-QFIPXVFZSA-N 1 1 481.980 4.914 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146862 525920870 /nfs/dbraw/zinc/92/08/70/525920870.db2.gz XNFRTBQDIRKQFD-RSXGOPAZSA-N 1 1 478.564 4.578 50 0 JJAAMO Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000022800409 525953321 /nfs/dbraw/zinc/95/33/21/525953321.db2.gz YEOPJIBQCUODDI-QFIPXVFZSA-N 1 1 495.048 4.777 50 0 JJAAMO COc1cccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069198 526170576 /nfs/dbraw/zinc/17/05/76/526170576.db2.gz XCZBSSOLGFVCHE-UHFFFAOYSA-N 1 1 452.942 4.592 50 0 JJAAMO COc1cccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069198 526170583 /nfs/dbraw/zinc/17/05/83/526170583.db2.gz XCZBSSOLGFVCHE-UHFFFAOYSA-N 1 1 452.942 4.592 50 0 JJAAMO Cc1ccc2c(c1)[nH]c(C(=O)NCCC[NH+]1CCN(C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466725 526214785 /nfs/dbraw/zinc/21/47/85/526214785.db2.gz HTAYAXFGOVOYIN-UHFFFAOYSA-N 1 1 457.043 4.648 50 0 JJAAMO Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CC[NH+](Cc3cc(F)ccc3F)CC2)n(C)n1 ZINC000012197107 526225675 /nfs/dbraw/zinc/22/56/75/526225675.db2.gz DIFSYAOYBCTFNH-VWLOTQADSA-N 1 1 466.576 4.602 50 0 JJAAMO Cc1ccc2nc(COc3ccccc3C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cn2c1 ZINC000048303510 526250269 /nfs/dbraw/zinc/25/02/69/526250269.db2.gz YVWIDTNQZOMGAY-QHCPKHFHSA-N 1 1 458.562 4.772 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146654 526285645 /nfs/dbraw/zinc/28/56/45/526285645.db2.gz REMKEXMDXRZWCD-UNMCSNQZSA-N 1 1 472.944 4.645 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146612 526285746 /nfs/dbraw/zinc/28/57/46/526285746.db2.gz PVTOUNJWNJSZKA-UPVQGACJSA-N 1 1 472.944 4.645 50 0 JJAAMO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000014881652 526576066 /nfs/dbraw/zinc/57/60/66/526576066.db2.gz CFMHPEIECOBCCU-FREGXXQWSA-N 1 1 469.629 4.592 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000009731727 526731175 /nfs/dbraw/zinc/73/11/75/526731175.db2.gz OSBYGHIBYVOOJJ-GOSISDBHSA-N 1 1 459.034 4.506 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000009731727 526731181 /nfs/dbraw/zinc/73/11/81/526731181.db2.gz OSBYGHIBYVOOJJ-GOSISDBHSA-N 1 1 459.034 4.506 50 0 JJAAMO O=C(c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033261067 526768107 /nfs/dbraw/zinc/76/81/07/526768107.db2.gz UBFFPZYISXDSMC-UHFFFAOYSA-N 1 1 467.548 4.984 50 0 JJAAMO Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000046141354 526864290 /nfs/dbraw/zinc/86/42/90/526864290.db2.gz NXCCWDQHBBPXLJ-OAHLLOKOSA-N 1 1 495.070 4.827 50 0 JJAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cnn(-c4ccc(F)cc4)c3)[N@@H+]3CCC[C@@]123 ZINC000012454765 527038225 /nfs/dbraw/zinc/03/82/25/527038225.db2.gz NWSAPOCKJSWLBV-QXWFJRNPSA-N 1 1 450.945 4.603 50 0 JJAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccncc2)C1 ZINC000014740934 527204142 /nfs/dbraw/zinc/20/41/42/527204142.db2.gz VFGAMFHJQMRNKA-LOSJGSFVSA-N 1 1 496.586 4.767 50 0 JJAAMO O[C@@H](C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000020421570 527648068 /nfs/dbraw/zinc/64/80/68/527648068.db2.gz QQIQISPOBDZSHO-SFHVURJKSA-N 1 1 487.309 4.918 50 0 JJAAMO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071552 527659584 /nfs/dbraw/zinc/65/95/84/527659584.db2.gz ANTNLJHLBVGUKP-HSZRJFAPSA-N 1 1 494.083 4.894 50 0 JJAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000012204888 527665349 /nfs/dbraw/zinc/66/53/49/527665349.db2.gz POPOVZBWAJLNSS-JOCHJYFZSA-N 1 1 455.046 4.612 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000020414575 527666291 /nfs/dbraw/zinc/66/62/91/527666291.db2.gz WGWDFGWJWMCZAT-UHFFFAOYSA-N 1 1 463.672 4.959 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c(Cc3ccccc3F)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000096290478 535630928 /nfs/dbraw/zinc/63/09/28/535630928.db2.gz XUQMEUGLNHWHRG-OAHLLOKOSA-N 1 1 463.384 4.798 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002209112 554094098 /nfs/dbraw/zinc/09/40/98/554094098.db2.gz XMWDWNVYGJCIMZ-RRPNLBNLSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc(OC)c([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000002344145 554157553 /nfs/dbraw/zinc/15/75/53/554157553.db2.gz LFGWXGRIGLTCKG-FTJBHMTQSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(OC)c2)cc1 ZINC000002395438 554182246 /nfs/dbraw/zinc/18/22/46/554182246.db2.gz UVCMGFNYYQAPDR-UIOOFZCWSA-N 1 1 452.514 4.816 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccc(Cl)c2)N2NC=NC2=[NH+]3)cc1 ZINC000002404718 554187781 /nfs/dbraw/zinc/18/77/81/554187781.db2.gz AMAFLDGMNODAAX-BJKOFHAPSA-N 1 1 470.916 4.931 50 0 JJAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)cc(C)c3OC)cc2Cl)CC1 ZINC000002859679 554386450 /nfs/dbraw/zinc/38/64/50/554386450.db2.gz YRPKPNDINWHKIE-UHFFFAOYSA-N 1 1 466.807 4.814 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)N3)C1 ZINC000008927662 554825177 /nfs/dbraw/zinc/82/51/77/554825177.db2.gz KVDFQQIZOKYZBV-QFIPXVFZSA-N 1 1 463.559 4.783 50 0 JJAAMO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1Br ZINC000009096398 554894937 /nfs/dbraw/zinc/89/49/37/554894937.db2.gz BJLFRBKQLLLHFA-UHFFFAOYSA-N 1 1 466.807 4.895 50 0 JJAAMO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)o1 ZINC000009115484 554902355 /nfs/dbraw/zinc/90/23/55/554902355.db2.gz MWRJFCHLJXJNFD-JGCGQSQUSA-N 1 1 452.620 4.926 50 0 JJAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 ZINC000009209695 554979015 /nfs/dbraw/zinc/97/90/15/554979015.db2.gz STJRWKNLPIRAML-DEOSSOPVSA-N 1 1 452.558 4.524 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)CC1 ZINC000009265148 555040622 /nfs/dbraw/zinc/04/06/22/555040622.db2.gz SWLXFXQPOKZPRT-UHFFFAOYSA-N 1 1 455.599 4.525 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)CC1 ZINC000009265425 555041376 /nfs/dbraw/zinc/04/13/76/555041376.db2.gz WZTBHWTYOYJKBH-UHFFFAOYSA-N 1 1 493.604 4.657 50 0 JJAAMO CC[NH+]1CCN(c2nc(SC)nc3c2sc2nc(-c4ccco4)c4c(c23)CCC4)CC1 ZINC000009273817 555045989 /nfs/dbraw/zinc/04/59/89/555045989.db2.gz FJRCWXVRMKLLDA-UHFFFAOYSA-N 1 1 451.621 4.852 50 0 JJAAMO COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCC[NH+]4CCOCC4)c(=N)c32)cc1 ZINC000009281278 555050602 /nfs/dbraw/zinc/05/06/02/555050602.db2.gz JBPQALCIRBDNKH-RUZDIDTESA-N 1 1 482.584 4.533 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281282 555050608 /nfs/dbraw/zinc/05/06/08/555050608.db2.gz OMZCJLFMQVLRGE-SDUSCBPUSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000009281282 555050612 /nfs/dbraw/zinc/05/06/12/555050612.db2.gz OMZCJLFMQVLRGE-SDUSCBPUSA-N 1 1 458.986 4.664 50 0 JJAAMO CCOc1ccc(C[N@@H+](C)C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009282842 555053014 /nfs/dbraw/zinc/05/30/14/555053014.db2.gz BVENFMNYIOTMEI-DEOSSOPVSA-N 1 1 465.590 4.701 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1OC ZINC000009292312 555067614 /nfs/dbraw/zinc/06/76/14/555067614.db2.gz WTHPNCDVIMRTPD-JWQCQUIFSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1OC ZINC000009292313 555067648 /nfs/dbraw/zinc/06/76/48/555067648.db2.gz WTHPNCDVIMRTPD-LOSJGSFVSA-N 1 1 456.477 4.647 50 0 JJAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccc(Br)c3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009292418 555067863 /nfs/dbraw/zinc/06/78/63/555067863.db2.gz IBLCYIZFQUGTTK-XZOQPEGZSA-N 1 1 472.346 4.957 50 0 JJAAMO Brc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293429 555069039 /nfs/dbraw/zinc/06/90/39/555069039.db2.gz SHHYMUSYLMQKMA-FGZHOGPDSA-N 1 1 458.319 4.648 50 0 JJAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2)cc1OC ZINC000009345321 555111320 /nfs/dbraw/zinc/11/13/20/555111320.db2.gz RQUKDUMOLOLWRW-KAYWLYCHSA-N 1 1 482.540 4.907 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000009345511 555111662 /nfs/dbraw/zinc/11/16/62/555111662.db2.gz LWZCZYMEOOGVPY-RPBOFIJWSA-N 1 1 456.477 4.647 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009346251 555113016 /nfs/dbraw/zinc/11/30/16/555113016.db2.gz YMUHAPPTWJGBMC-CLJLJLNGSA-N 1 1 480.524 4.594 50 0 JJAAMO CCOc1ccc(Oc2ccc(NC(=O)C[NH+]3CCC(C(=O)N4CCCCCC4)CC3)cc2)cc1 ZINC000009388093 555149602 /nfs/dbraw/zinc/14/96/02/555149602.db2.gz AHRVPRKYWQKFHQ-UHFFFAOYSA-N 1 1 479.621 4.931 50 0 JJAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432484 555201601 /nfs/dbraw/zinc/20/16/01/555201601.db2.gz FHLQTCVWDSLCOU-DQEYMECFSA-N 1 1 477.630 4.813 50 0 JJAAMO CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432481 555201608 /nfs/dbraw/zinc/20/16/08/555201608.db2.gz FHLQTCVWDSLCOU-JWQCQUIFSA-N 1 1 477.630 4.813 50 0 JJAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)n1 ZINC000009465852 555241127 /nfs/dbraw/zinc/24/11/27/555241127.db2.gz ZYCSAQULDPKKBX-INIZCTEOSA-N 1 1 453.877 4.785 50 0 JJAAMO CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013164413 555364890 /nfs/dbraw/zinc/36/48/90/555364890.db2.gz FYKPXWWKIKRVGG-AREMUKBSSA-N 1 1 491.582 4.653 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)n2)cc1OC ZINC000013367208 555389495 /nfs/dbraw/zinc/38/94/95/555389495.db2.gz LTVXNNCFFAEEFV-FQEVSTJZSA-N 1 1 464.566 4.728 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C(C)C)cc4)C3)n2)cc1OC ZINC000013367208 555389497 /nfs/dbraw/zinc/38/94/97/555389497.db2.gz LTVXNNCFFAEEFV-FQEVSTJZSA-N 1 1 464.566 4.728 50 0 JJAAMO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000009674007 555398755 /nfs/dbraw/zinc/39/87/55/555398755.db2.gz JESKNTQILZXPRE-UHFFFAOYSA-N 1 1 470.617 4.860 50 0 JJAAMO Cc1nn2c(nc(C)c(CCC(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c2C)c1-c1ccccc1 ZINC000009609861 555438743 /nfs/dbraw/zinc/43/87/43/555438743.db2.gz YSRXDMSRLJOWOL-QFIPXVFZSA-N 1 1 459.638 4.635 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000009804827 555516586 /nfs/dbraw/zinc/51/65/86/555516586.db2.gz LONHDMCVZUSNEC-BGYRXZFFSA-N 1 1 460.574 4.914 50 0 JJAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)c1C ZINC000019880250 555525573 /nfs/dbraw/zinc/52/55/73/555525573.db2.gz MFDISVMGGKXHMR-DEOSSOPVSA-N 1 1 484.065 4.970 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013592600 555527496 /nfs/dbraw/zinc/52/74/96/555527496.db2.gz YFHSBVRSLHRWAC-TUGCOKMYSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013592600 555527501 /nfs/dbraw/zinc/52/75/01/555527501.db2.gz YFHSBVRSLHRWAC-TUGCOKMYSA-N 1 1 461.924 4.782 50 0 JJAAMO COc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1C ZINC000013609403 555532918 /nfs/dbraw/zinc/53/29/18/555532918.db2.gz MPHFIZJNZAPVNZ-UHFFFAOYSA-N 1 1 496.607 4.895 50 0 JJAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)c(O)c1 ZINC000019897806 555533234 /nfs/dbraw/zinc/53/32/34/555533234.db2.gz LEPZDIQWVBCACL-UHFFFAOYSA-N 1 1 452.558 4.638 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)sc2c1 ZINC000009848156 555550236 /nfs/dbraw/zinc/55/02/36/555550236.db2.gz BCLKQHHNVNWSIB-HSALFYBXSA-N 1 1 458.672 4.681 50 0 JJAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@H+]4CCc5ccccc5C4)C3)nc2c(C)c1 ZINC000009848385 555550487 /nfs/dbraw/zinc/55/04/87/555550487.db2.gz HRXSLMUGGRPHJD-QHCPKHFHSA-N 1 1 462.663 4.694 50 0 JJAAMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21 ZINC000013672828 555564283 /nfs/dbraw/zinc/56/42/83/555564283.db2.gz KSLCYQTUSSEGPT-MRXNPFEDSA-N 1 1 458.343 4.961 50 0 in-vitro JJAAMO C[N@@H+](CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)C1CCCCC1 ZINC000020035900 555610656 /nfs/dbraw/zinc/61/06/56/555610656.db2.gz OZBQGSJLDSSUQW-UHFFFAOYSA-N 1 1 460.574 4.916 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000013810921 555626489 /nfs/dbraw/zinc/62/64/89/555626489.db2.gz AHASVXMLLYWGTO-NOZRDPDXSA-N 1 1 456.477 4.647 50 0 JJAAMO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020117748 555654826 /nfs/dbraw/zinc/65/48/26/555654826.db2.gz DMLMSZNLJAEACU-QQJVBVIDSA-N 1 1 464.625 4.855 50 0 JJAAMO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020181284 555688192 /nfs/dbraw/zinc/68/81/92/555688192.db2.gz CCIUBCIXPATJTR-PQBXMXABSA-N 1 1 463.647 4.856 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181506 555688650 /nfs/dbraw/zinc/68/86/50/555688650.db2.gz MKYFVEHNUALTMY-KWJZBXMYSA-N 1 1 489.563 4.786 50 0 JJAAMO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000020181672 555689245 /nfs/dbraw/zinc/68/92/45/555689245.db2.gz SBYGSVPKRWBLAW-AFDYPQSWSA-N 1 1 477.674 4.967 50 0 JJAAMO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020182277 555689568 /nfs/dbraw/zinc/68/95/68/555689568.db2.gz YSDPQEIZWPQXCB-UHFFFAOYSA-N 1 1 468.601 4.566 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3Cl)c2)CC1 ZINC000014135674 555703865 /nfs/dbraw/zinc/70/38/65/555703865.db2.gz XIYBUHOBWCHKFJ-UHFFFAOYSA-N 1 1 498.048 4.513 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214071 555708583 /nfs/dbraw/zinc/70/85/83/555708583.db2.gz KDZDYKXCWONVTE-JOCHJYFZSA-N 1 1 457.958 4.549 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020214071 555708587 /nfs/dbraw/zinc/70/85/87/555708587.db2.gz KDZDYKXCWONVTE-JOCHJYFZSA-N 1 1 457.958 4.549 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000014157517 555715306 /nfs/dbraw/zinc/71/53/06/555715306.db2.gz DFZUWWPKWWVPNK-QFIPXVFZSA-N 1 1 465.619 4.857 50 0 JJAAMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241417 555736800 /nfs/dbraw/zinc/73/68/00/555736800.db2.gz CXRHZOAHPAZNFT-WXAJRKQLSA-N 1 1 466.453 4.624 50 0 JJAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344330 555774295 /nfs/dbraw/zinc/77/42/95/555774295.db2.gz DVQCWNZHQOTBGX-GOSISDBHSA-N 1 1 474.561 4.537 50 0 JJAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344330 555774298 /nfs/dbraw/zinc/77/42/98/555774298.db2.gz DVQCWNZHQOTBGX-GOSISDBHSA-N 1 1 474.561 4.537 50 0 JJAAMO CC(=O)c1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cs1 ZINC000020351661 555780082 /nfs/dbraw/zinc/78/00/82/555780082.db2.gz JBZHVAUXDOICSQ-NRFANRHFSA-N 1 1 451.558 4.756 50 0 JJAAMO CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)c1 ZINC000020532234 555801299 /nfs/dbraw/zinc/80/12/99/555801299.db2.gz GHFHJOYZGDZIJJ-QGZVFWFLSA-N 1 1 466.607 4.976 50 0 JJAAMO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011786613 555820208 /nfs/dbraw/zinc/82/02/08/555820208.db2.gz PWLIWYBIUAJLRL-QHCPKHFHSA-N 1 1 494.643 4.904 50 0 JJAAMO COc1cc(Cl)c(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1OC ZINC000015071558 555870922 /nfs/dbraw/zinc/87/09/22/555870922.db2.gz ONGPGRLVAQSRGF-UHFFFAOYSA-N 1 1 456.892 4.611 50 0 JJAAMO COc1cc(Cl)c(C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1OC ZINC000015071558 555870927 /nfs/dbraw/zinc/87/09/27/555870927.db2.gz ONGPGRLVAQSRGF-UHFFFAOYSA-N 1 1 456.892 4.611 50 0 JJAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000015074131 555872045 /nfs/dbraw/zinc/87/20/45/555872045.db2.gz LYAZMPSHOXKQOO-GOSISDBHSA-N 1 1 451.954 4.950 50 0 JJAAMO COc1cc2cc(CNC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000011967249 555872526 /nfs/dbraw/zinc/87/25/26/555872526.db2.gz QAHUHIXYZAWQHI-WIOPSUGQSA-N 1 1 481.681 4.953 50 0 JJAAMO COc1cc2cc(CNC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000011967249 555872529 /nfs/dbraw/zinc/87/25/29/555872529.db2.gz QAHUHIXYZAWQHI-WIOPSUGQSA-N 1 1 481.681 4.953 50 0 JJAAMO COc1cc2cc(C[NH2+]C[C@@H]3CCCN4CCCC[C@H]34)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000011967249 555872532 /nfs/dbraw/zinc/87/25/32/555872532.db2.gz QAHUHIXYZAWQHI-WIOPSUGQSA-N 1 1 481.681 4.953 50 0 JJAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cn2cccn2)c1)Cc1cccc2cccnc21 ZINC000011978260 555875851 /nfs/dbraw/zinc/87/58/51/555875851.db2.gz LZWGPSNSVGZSFI-HHHXNRCGSA-N 1 1 497.643 4.914 50 0 JJAAMO Cc1ccc([C@@H](C)CC[N@@H+]2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039589 555892240 /nfs/dbraw/zinc/89/22/40/555892240.db2.gz TZMJRXYFZNDVQP-QFIPXVFZSA-N 1 1 475.633 4.855 50 0 JJAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCOc3ccc(CN4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039589 555892241 /nfs/dbraw/zinc/89/22/41/555892241.db2.gz TZMJRXYFZNDVQP-QFIPXVFZSA-N 1 1 475.633 4.855 50 0 JJAAMO Cc1ccc([C@@H](C)CCN2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)o1 ZINC000012039589 555892246 /nfs/dbraw/zinc/89/22/46/555892246.db2.gz TZMJRXYFZNDVQP-QFIPXVFZSA-N 1 1 475.633 4.855 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](C/C=C/c2ccccc2)CC3)c1 ZINC000012041556 555894096 /nfs/dbraw/zinc/89/40/96/555894096.db2.gz LZGITJZZKNWHHW-MLYOZINFSA-N 1 1 471.649 4.984 50 0 JJAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000015307350 555895667 /nfs/dbraw/zinc/89/56/67/555895667.db2.gz XWEUSHZGWNGWNY-SFHVURJKSA-N 1 1 470.392 4.570 50 0 JJAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000015404758 555904247 /nfs/dbraw/zinc/90/42/47/555904247.db2.gz KNQAZSXAJPAFRF-DEOSSOPVSA-N 1 1 473.573 4.904 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccccc2F)CC3)c1 ZINC000012097112 555904436 /nfs/dbraw/zinc/90/44/36/555904436.db2.gz GRXKYVDGBIMROB-DEOSSOPVSA-N 1 1 463.601 4.610 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccccc2F)CC3)c1 ZINC000012097112 555904439 /nfs/dbraw/zinc/90/44/39/555904439.db2.gz GRXKYVDGBIMROB-DEOSSOPVSA-N 1 1 463.601 4.610 50 0 JJAAMO CC[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000012152857 555927339 /nfs/dbraw/zinc/92/73/39/555927339.db2.gz GQKLYLYPZABQGU-LXFBAYGMSA-N 1 1 459.590 4.668 50 0 JJAAMO O=C(c1ccccc1OC[C@@H]1CCCO1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022870065 555962882 /nfs/dbraw/zinc/96/28/82/555962882.db2.gz CANRRNNCDKWZQT-VWLOTQADSA-N 1 1 456.586 4.792 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4C)C3)n2)cc1OC ZINC000015726272 555963939 /nfs/dbraw/zinc/96/39/39/555963939.db2.gz OTSDXJCWPATKDB-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4C)C3)n2)cc1OC ZINC000015726272 555963942 /nfs/dbraw/zinc/96/39/42/555963942.db2.gz OTSDXJCWPATKDB-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)n2)cc1OC ZINC000015726341 555964391 /nfs/dbraw/zinc/96/43/91/555964391.db2.gz NTHAXSJOXCAMGA-UHFFFAOYSA-N 1 1 464.566 4.728 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)o1 ZINC000015727619 555966832 /nfs/dbraw/zinc/96/68/32/555966832.db2.gz KFNLVTIPYHIDQE-LJQANCHMSA-N 1 1 465.598 4.809 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000015732222 555976726 /nfs/dbraw/zinc/97/67/26/555976726.db2.gz CDMOYCPNUCXEFJ-GOSISDBHSA-N 1 1 464.591 4.810 50 0 JJAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1 ZINC000012436522 555979928 /nfs/dbraw/zinc/97/99/28/555979928.db2.gz JYYUZJCGIJKDKE-VBQJREDUSA-N 1 1 496.243 4.790 50 0 JJAAMO O=C(CC[NH+]1CCN(Cc2ccc(Br)s2)CC1)Nc1c(Cl)cccc1Cl ZINC000022934090 555986737 /nfs/dbraw/zinc/98/67/37/555986737.db2.gz YTRJLNWXWVWCGH-UHFFFAOYSA-N 1 1 477.255 4.964 50 0 JJAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000012540282 556013958 /nfs/dbraw/zinc/01/39/58/556013958.db2.gz FGXCTOGPMWLOIZ-NBGIEHNGSA-N 1 1 474.022 4.944 50 0 JJAAMO CCN(CC[N@@H+](C)CC)C(=O)CCc1cc2c(n1-c1ccc(OC)cc1)-c1ccccc1CC2 ZINC000023438500 556059234 /nfs/dbraw/zinc/05/92/34/556059234.db2.gz JBZPGAUOYYQYLM-UHFFFAOYSA-N 1 1 459.634 4.984 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(OC)cc4)cc2)N3)C1 ZINC000015947420 556085467 /nfs/dbraw/zinc/08/54/67/556085467.db2.gz VCNQZWSXROPYAL-JOCHJYFZSA-N 1 1 463.559 4.783 50 0 JJAAMO CCn1c(C[NH2+][C@H](c2cccs2)c2ccc(C)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000023989335 556112781 /nfs/dbraw/zinc/11/27/81/556112781.db2.gz MWSZSGYNONNFCJ-DEOSSOPVSA-N 1 1 468.648 4.556 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCN(C(=O)c4ccccc4F)CC3)c2c1C ZINC000012860752 556119708 /nfs/dbraw/zinc/11/97/08/556119708.db2.gz NCVYAXJTAAYAGI-UHFFFAOYSA-N 1 1 481.641 4.642 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038962 556120936 /nfs/dbraw/zinc/12/09/36/556120936.db2.gz XQOCDLCEOOYVFF-BQJUDKOJSA-N 1 1 479.374 4.580 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038962 556120938 /nfs/dbraw/zinc/12/09/38/556120938.db2.gz XQOCDLCEOOYVFF-BQJUDKOJSA-N 1 1 479.374 4.580 50 0 JJAAMO COc1ccc2ncc3c(sc(C(=O)NCCC[NH+]4CCOCC4)c3-c3ccccc3)c2c1 ZINC000016846851 556169016 /nfs/dbraw/zinc/16/90/16/556169016.db2.gz VDSTWVVDUIEPDY-UHFFFAOYSA-N 1 1 461.587 4.577 50 0 JJAAMO COc1cccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1OC ZINC000016891122 556172150 /nfs/dbraw/zinc/17/21/50/556172150.db2.gz NKCZTMVWIMXERM-KOSHJBKYSA-N 1 1 483.609 4.586 50 0 JJAAMO COc1ccccc1C(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891144 556172664 /nfs/dbraw/zinc/17/26/64/556172664.db2.gz ISUXUBYNFDANJC-KOSHJBKYSA-N 1 1 453.583 4.578 50 0 JJAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(Br)cc3F)n2)C1 ZINC000012993739 556186292 /nfs/dbraw/zinc/18/62/92/556186292.db2.gz GBZHOCNEWSTULD-STQMWFEESA-N 1 1 456.381 4.540 50 0 JJAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000012997716 556190282 /nfs/dbraw/zinc/19/02/82/556190282.db2.gz JXYQDMOXQXMNGZ-UHFFFAOYSA-N 1 1 468.601 4.859 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000017012305 556202369 /nfs/dbraw/zinc/20/23/69/556202369.db2.gz ZUENHLUEYXNUFW-UHFFFAOYSA-N 1 1 471.483 4.518 50 0 JJAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184487 556203980 /nfs/dbraw/zinc/20/39/80/556203980.db2.gz BEGNDCGQVPUYOS-IXCJQBJRSA-N 1 1 471.004 4.996 50 0 biogenic JJAAMO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000013028158 556221657 /nfs/dbraw/zinc/22/16/57/556221657.db2.gz BETVBQYHPKRHSL-FQEVSTJZSA-N 1 1 452.555 4.754 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000013039733 556241314 /nfs/dbraw/zinc/24/13/14/556241314.db2.gz VZDZXMWEJZYSGP-HOTGVXAUSA-N 1 1 474.623 4.526 50 0 JJAAMO CCOC(=O)c1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2 ZINC000013039733 556241319 /nfs/dbraw/zinc/24/13/19/556241319.db2.gz VZDZXMWEJZYSGP-HOTGVXAUSA-N 1 1 474.623 4.526 50 0 JJAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)C(C)(C)C)c(Br)c1 ZINC000018155825 556295550 /nfs/dbraw/zinc/29/55/50/556295550.db2.gz KYEUWQRVZZOKSC-CBPXPLCBSA-N 1 1 493.401 4.888 50 0 JJAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)C(C)(C)C)c(Br)c1 ZINC000018155825 556295555 /nfs/dbraw/zinc/29/55/55/556295555.db2.gz KYEUWQRVZZOKSC-CBPXPLCBSA-N 1 1 493.401 4.888 50 0 JJAAMO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028657934 556339125 /nfs/dbraw/zinc/33/91/25/556339125.db2.gz ORAYZEYMJAOUHN-JWQCQUIFSA-N 1 1 481.518 4.684 50 0 JJAAMO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019596808 556356396 /nfs/dbraw/zinc/35/63/96/556356396.db2.gz ZWLIOLNWONUVEB-UHFFFAOYSA-N 1 1 489.641 4.672 50 0 JJAAMO Brc1ccc(-c2nc(NCCC[NH+]3CCOCC3)cc(-c3ccccc3)n2)cc1 ZINC000019595686 556356606 /nfs/dbraw/zinc/35/66/06/556356606.db2.gz JHWWTFAHPGOFAI-UHFFFAOYSA-N 1 1 453.384 4.707 50 0 JJAAMO COc1ccc(CC[N@@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000013135806 556366524 /nfs/dbraw/zinc/36/65/24/556366524.db2.gz JUHKKAOQMHXTRE-XMMPIXPASA-N 1 1 471.544 4.623 50 0 JJAAMO CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CN1CC[NH+](C)CC1)c1ccccc1CC2 ZINC000019792417 556371024 /nfs/dbraw/zinc/37/10/24/556371024.db2.gz PZNUHALATWNVBQ-UHFFFAOYSA-N 1 1 476.665 4.852 50 0 biogenic JJAAMO CSCC(=O)OCCN1CC[NH+]([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019802473 556378587 /nfs/dbraw/zinc/37/85/87/556378587.db2.gz OUZTUASLHPMBAV-FQEVSTJZSA-N 1 1 463.068 4.612 50 0 JJAAMO Cc1cc(N(C)C)ccc1-c1nc2ccc(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)cc2[nH]1 ZINC000031976950 556412287 /nfs/dbraw/zinc/41/22/87/556412287.db2.gz ADKLMOJIJGHCCD-UHFFFAOYSA-N 1 1 465.605 4.899 50 0 in-vitro JJAAMO CCCn1c(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)nnc1-c1cccc(C)c1 ZINC000032389215 556435016 /nfs/dbraw/zinc/43/50/16/556435016.db2.gz DLQFDEUJLVESJF-OAQYLSRUSA-N 1 1 463.651 4.661 50 0 JJAAMO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000032952983 556568149 /nfs/dbraw/zinc/56/81/49/556568149.db2.gz GQPBBYPLMPAWIK-UHFFFAOYSA-N 1 1 486.019 4.811 50 0 JJAAMO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000032952980 556568272 /nfs/dbraw/zinc/56/82/72/556568272.db2.gz FJWDNKREUDBITC-UHFFFAOYSA-N 1 1 479.628 4.543 50 0 JJAAMO COC(=O)c1sc2nc(C[N@H+](C)[C@@H](C)c3c(C)nn(C)c3C)ccc2c1NC(=O)c1ccccc1 ZINC000055109427 569590852 /nfs/dbraw/zinc/59/08/52/569590852.db2.gz QQUIWKUGBYRKIU-INIZCTEOSA-N 1 1 491.617 4.879 50 0 JJAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@@H](C)c3c(C)nn(C)c3C)ccc2c1NC(=O)c1ccccc1 ZINC000055109427 569590853 /nfs/dbraw/zinc/59/08/53/569590853.db2.gz QQUIWKUGBYRKIU-INIZCTEOSA-N 1 1 491.617 4.879 50 0 JJAAMO COC(=O)c1sc2nc(C[N@H+](C)[C@H](C)c3c(C)nn(C)c3C)ccc2c1NC(=O)c1ccccc1 ZINC000055109424 569590963 /nfs/dbraw/zinc/59/09/63/569590963.db2.gz QQUIWKUGBYRKIU-MRXNPFEDSA-N 1 1 491.617 4.879 50 0 JJAAMO COC(=O)c1sc2nc(C[N@@H+](C)[C@H](C)c3c(C)nn(C)c3C)ccc2c1NC(=O)c1ccccc1 ZINC000055109424 569590965 /nfs/dbraw/zinc/59/09/65/569590965.db2.gz QQUIWKUGBYRKIU-MRXNPFEDSA-N 1 1 491.617 4.879 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000055576076 569592328 /nfs/dbraw/zinc/59/23/28/569592328.db2.gz HZFMEXLXWGQRBJ-UHFFFAOYSA-N 1 1 497.492 4.963 50 0 JJAAMO O=C(C[NH+]1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000008694528 569593170 /nfs/dbraw/zinc/59/31/70/569593170.db2.gz CFSVDVWYZXCYHB-UHFFFAOYSA-N 1 1 476.631 4.828 50 0 JJAAMO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000057289900 569595639 /nfs/dbraw/zinc/59/56/39/569595639.db2.gz BVMDJPYFXGRGRF-SANMLTNESA-N 1 1 473.573 4.821 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)C1 ZINC000032984010 569607326 /nfs/dbraw/zinc/60/73/26/569607326.db2.gz SJJHYCBGDPWWDB-NQRZERFFSA-N 1 1 453.970 4.564 50 0 JJAAMO CC(C)c1c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000059989984 569608392 /nfs/dbraw/zinc/60/83/92/569608392.db2.gz BMWVZKBOMUEKQR-CALCHBBNSA-N 1 1 465.564 4.896 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000061999328 569609923 /nfs/dbraw/zinc/60/99/23/569609923.db2.gz DZAAESPYYUEWME-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000061999328 569609924 /nfs/dbraw/zinc/60/99/24/569609924.db2.gz DZAAESPYYUEWME-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000061999517 569609971 /nfs/dbraw/zinc/60/99/71/569609971.db2.gz DZAAESPYYUEWME-AVKZGCRPSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000061999517 569609973 /nfs/dbraw/zinc/60/99/73/569609973.db2.gz DZAAESPYYUEWME-AVKZGCRPSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO CCC[NH+]1CCN(C(=O)c2c(=O)cc(C)n3c2C[C@@H](c2ccsc2)Sc2ccccc2-3)CC1 ZINC000064006508 569615880 /nfs/dbraw/zinc/61/58/80/569615880.db2.gz PPJRPPQEEJWYQF-DEOSSOPVSA-N 1 1 479.671 4.765 50 0 JJAAMO COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1C ZINC000064802142 569631789 /nfs/dbraw/zinc/63/17/89/569631789.db2.gz TZFWZMFNQGHOFH-UHFFFAOYSA-N 1 1 481.622 4.945 50 0 JJAAMO COc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(Cl)cc4)CC3)nc2)c1 ZINC000034681793 569643592 /nfs/dbraw/zinc/64/35/92/569643592.db2.gz DLDGRHXYYJPGIC-UHFFFAOYSA-N 1 1 450.970 4.708 50 0 JJAAMO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000034681998 569643712 /nfs/dbraw/zinc/64/37/12/569643712.db2.gz OIJKUBUIPXHDII-UHFFFAOYSA-N 1 1 484.522 4.830 50 0 JJAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C[C@H](O)Cc4ccccc4)CC3)nc2)cc1 ZINC000034682181 569643761 /nfs/dbraw/zinc/64/37/61/569643761.db2.gz KDGZQBGISBPHMU-HHHXNRCGSA-N 1 1 486.660 4.747 50 0 JJAAMO COc1cc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nc2)cc(OC)c1 ZINC000034682132 569643783 /nfs/dbraw/zinc/64/37/83/569643783.db2.gz CTMZQXBXBJMELJ-UHFFFAOYSA-N 1 1 479.556 4.594 50 0 JJAAMO C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC[N@H+]1Cc1cccc(F)c1 ZINC000034708013 569650109 /nfs/dbraw/zinc/65/01/09/569650109.db2.gz GCZZGDVTXYETRQ-QGZVFWFLSA-N 1 1 458.566 4.856 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787909 569660007 /nfs/dbraw/zinc/66/00/07/569660007.db2.gz AOMJWVAGIGMUBI-MHZLTWQESA-N 1 1 491.632 4.518 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787909 569660009 /nfs/dbraw/zinc/66/00/09/569660009.db2.gz AOMJWVAGIGMUBI-MHZLTWQESA-N 1 1 491.632 4.518 50 0 JJAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787950 569660034 /nfs/dbraw/zinc/66/00/34/569660034.db2.gz BGGHZDWCOKAJCP-MUUNZHRXSA-N 1 1 487.669 4.687 50 0 JJAAMO Cc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787950 569660036 /nfs/dbraw/zinc/66/00/36/569660036.db2.gz BGGHZDWCOKAJCP-MUUNZHRXSA-N 1 1 487.669 4.687 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@H](C)C1 ZINC000034829832 569663345 /nfs/dbraw/zinc/66/33/45/569663345.db2.gz HNNLRGIBVCIPSQ-NFQMXDRXSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@H](C)C1 ZINC000034829832 569663346 /nfs/dbraw/zinc/66/33/46/569663346.db2.gz HNNLRGIBVCIPSQ-NFQMXDRXSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829722 569663348 /nfs/dbraw/zinc/66/33/48/569663348.db2.gz LPEJPJMUSSTXMG-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829722 569663349 /nfs/dbraw/zinc/66/33/49/569663349.db2.gz LPEJPJMUSSTXMG-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830047 569663521 /nfs/dbraw/zinc/66/35/21/569663521.db2.gz VUNJPARLAWPHDZ-MHZLTWQESA-N 1 1 479.690 4.727 50 0 JJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C)C2)cc1 ZINC000034829953 569663582 /nfs/dbraw/zinc/66/35/82/569663582.db2.gz CDVWFASIXQAIIZ-ZBLYBZFDSA-N 1 1 494.705 4.579 50 0 JJAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@H](C)C2)cc1 ZINC000034829953 569663584 /nfs/dbraw/zinc/66/35/84/569663584.db2.gz CDVWFASIXQAIIZ-ZBLYBZFDSA-N 1 1 494.705 4.579 50 0 JJAAMO Clc1cccc(-c2nnn3c2nc(N2CC[NH+](Cc4ccc5c(c4)OCO5)CC2)c2ccccc23)c1 ZINC000067262704 569683173 /nfs/dbraw/zinc/68/31/73/569683173.db2.gz DAMVRVIUVJYLFG-UHFFFAOYSA-N 1 1 498.974 4.649 50 0 JJAAMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454176 569697436 /nfs/dbraw/zinc/69/74/36/569697436.db2.gz KIXILYUQJBABJZ-MOPGFXCFSA-N 1 1 473.061 4.548 50 0 JJAAMO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000072272276 569701392 /nfs/dbraw/zinc/70/13/92/569701392.db2.gz XSRRFDOTQKYKLA-HNNXBMFYSA-N 1 1 494.865 4.597 50 0 JJAAMO COc1cc(C(=O)N(CC[C@H]2CCC[N@H+]2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC ZINC000084615765 569709353 /nfs/dbraw/zinc/70/93/53/569709353.db2.gz JVRRRKAXHMGUHZ-JIKIWWBOSA-N 1 1 470.585 4.882 50 0 in-vitro JJAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843583 569714537 /nfs/dbraw/zinc/71/45/37/569714537.db2.gz JUFWKTIRPUTOLM-JOCHJYFZSA-N 1 1 481.431 4.701 50 0 JJAAMO COCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)c(F)c1 ZINC000035844870 569715578 /nfs/dbraw/zinc/71/55/78/569715578.db2.gz PKFPAUAMTALPGW-UHFFFAOYSA-N 1 1 470.560 4.976 50 0 JJAAMO COCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)c(F)c1 ZINC000035844870 569715579 /nfs/dbraw/zinc/71/55/79/569715579.db2.gz PKFPAUAMTALPGW-UHFFFAOYSA-N 1 1 470.560 4.976 50 0 JJAAMO Cc1cc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)ccc1Cl ZINC000085876576 569715860 /nfs/dbraw/zinc/71/58/60/569715860.db2.gz MUUCNSYUVJLMOQ-GBXCKJPGSA-N 1 1 470.013 4.660 50 0 biogenic JJAAMO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@H]23)cc1 ZINC000035871495 569718810 /nfs/dbraw/zinc/71/88/10/569718810.db2.gz QDCRGHAUGJHLJS-LADGPHEKSA-N 1 1 473.539 4.958 50 0 JJAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@H]12 ZINC000035871542 569718817 /nfs/dbraw/zinc/71/88/17/569718817.db2.gz ILWGUXWWMDHOTC-FYYLOGMGSA-N 1 1 461.528 4.610 50 0 JJAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871431 569718821 /nfs/dbraw/zinc/71/88/21/569718821.db2.gz OLEFIVVIZBOOFM-LADGPHEKSA-N 1 1 487.497 4.617 50 0 JJAAMO Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(C[N@H+]3CCC[C@@H]3CO)cc2)c1 ZINC000094568743 569721482 /nfs/dbraw/zinc/72/14/82/569721482.db2.gz NPUXORBZRBIOMQ-RUZDIDTESA-N 1 1 465.615 4.505 50 0 in-vitro JJAAMO CCN1CCc2c(sc3nc(CC(C)C)nc(N4CC[NH+](Cc5ccc(F)cc5)CC4)c23)C1 ZINC000035892918 569722615 /nfs/dbraw/zinc/72/26/15/569722615.db2.gz XMDVYZJEMPZULT-UHFFFAOYSA-N 1 1 467.658 4.729 50 0 JJAAMO COc1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000095536311 569725786 /nfs/dbraw/zinc/72/57/86/569725786.db2.gz LZHDQXVZWIHGTI-UHFFFAOYSA-N 1 1 450.970 4.708 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4ccc(C(C)=O)cc4)cn32)CC1 ZINC000095597800 569727866 /nfs/dbraw/zinc/72/78/66/569727866.db2.gz VKWUODZKERYMMM-UHFFFAOYSA-N 1 1 480.612 4.968 50 0 JJAAMO CCC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4ccc(C(C)=O)cc4)cn32)CC1 ZINC000095597809 569727903 /nfs/dbraw/zinc/72/79/03/569727903.db2.gz RKMPQYWNQORDNH-UHFFFAOYSA-N 1 1 466.585 4.925 50 0 JJAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CC[NH+](Cc3cccc(OC)c3)CC2)n1 ZINC000035924688 569728138 /nfs/dbraw/zinc/72/81/38/569728138.db2.gz SQTHZBYHOVEKQQ-UHFFFAOYSA-N 1 1 470.621 4.797 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2cccc(C)c2)CC1 ZINC000095925479 569730149 /nfs/dbraw/zinc/73/01/49/569730149.db2.gz IDXXEMHRQRPQNB-UHFFFAOYSA-N 1 1 463.651 4.769 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211354 569738453 /nfs/dbraw/zinc/73/84/53/569738453.db2.gz GMUKHSZZUWCISN-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211354 569738455 /nfs/dbraw/zinc/73/84/55/569738455.db2.gz GMUKHSZZUWCISN-NGOKVRLYSA-N 1 1 474.601 4.939 50 0 JJAAMO C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1C[NH+]1CCCCC1 ZINC000035990979 569744234 /nfs/dbraw/zinc/74/42/34/569744234.db2.gz VSIBPOJJDZGYNY-FQEVSTJZSA-N 1 1 452.382 4.549 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991481 569744502 /nfs/dbraw/zinc/74/45/02/569744502.db2.gz VFWAMBAKCPLPOC-JOCHJYFZSA-N 1 1 475.511 4.741 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991481 569744503 /nfs/dbraw/zinc/74/45/03/569744503.db2.gz VFWAMBAKCPLPOC-JOCHJYFZSA-N 1 1 475.511 4.741 50 0 JJAAMO COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccc(C)cc2)cc1 ZINC000036040966 569753542 /nfs/dbraw/zinc/75/35/42/569753542.db2.gz ZSVDIPQJSFBRHT-VWLOTQADSA-N 1 1 460.574 4.550 50 0 JJAAMO COc1ccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036040966 569753545 /nfs/dbraw/zinc/75/35/45/569753545.db2.gz ZSVDIPQJSFBRHT-VWLOTQADSA-N 1 1 460.574 4.550 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@H](O)COC(C)C ZINC000036249925 569758171 /nfs/dbraw/zinc/75/81/71/569758171.db2.gz RCEFHVSDNNWHHE-DEOSSOPVSA-N 1 1 473.658 4.735 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(C)cc1 ZINC000036312152 569760179 /nfs/dbraw/zinc/76/01/79/569760179.db2.gz NYHUCQCLWGJFOU-HXUWFJFHSA-N 1 1 464.585 4.982 50 0 JJAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)Nc1ccc(C)cc1 ZINC000036312872 569760446 /nfs/dbraw/zinc/76/04/46/569760446.db2.gz HCGCRQRHKNKBOF-UHFFFAOYSA-N 1 1 465.573 4.985 50 0 JJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036313881 569761466 /nfs/dbraw/zinc/76/14/66/569761466.db2.gz ZESKJZIGYYHMLE-XMMPIXPASA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036313881 569761467 /nfs/dbraw/zinc/76/14/67/569761467.db2.gz ZESKJZIGYYHMLE-XMMPIXPASA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313973 569761613 /nfs/dbraw/zinc/76/16/13/569761613.db2.gz BEKZBEUGTBBOBI-HSZRJFAPSA-N 1 1 485.600 4.645 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC ZINC000036316158 569762170 /nfs/dbraw/zinc/76/21/70/569762170.db2.gz AQQHIFKNUKJYAQ-FQEVSTJZSA-N 1 1 459.537 4.767 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316537 569763313 /nfs/dbraw/zinc/76/33/13/569763313.db2.gz BDVYWVROAXVPPV-HSZRJFAPSA-N 1 1 467.585 4.976 50 0 JJAAMO Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036340873 569764214 /nfs/dbraw/zinc/76/42/14/569764214.db2.gz QIETUAOWPIHTNL-MUUNZHRXSA-N 1 1 470.592 4.630 50 0 JJAAMO COc1ccccc1[C@H]1CC(c2ccc(C)c(C)c2)=NN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000036341374 569764546 /nfs/dbraw/zinc/76/45/46/569764546.db2.gz QIKLXODREQONSI-GDLZYMKVSA-N 1 1 496.655 4.808 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341978 569765061 /nfs/dbraw/zinc/76/50/61/569765061.db2.gz DTKMWDDGZWROID-HSZRJFAPSA-N 1 1 467.610 4.837 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341979 569765085 /nfs/dbraw/zinc/76/50/85/569765085.db2.gz DTKMWDDGZWROID-QHCPKHFHSA-N 1 1 467.610 4.837 50 0 JJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342039 569765320 /nfs/dbraw/zinc/76/53/20/569765320.db2.gz BKSNQDCYOMYKTE-DEOSSOPVSA-N 1 1 485.600 4.738 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342039 569765322 /nfs/dbraw/zinc/76/53/22/569765322.db2.gz BKSNQDCYOMYKTE-DEOSSOPVSA-N 1 1 485.600 4.738 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342130 569765527 /nfs/dbraw/zinc/76/55/27/569765527.db2.gz NQHZDKXEAYEELQ-HSZRJFAPSA-N 1 1 453.558 4.722 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343397 569766299 /nfs/dbraw/zinc/76/62/99/569766299.db2.gz QPYSBCDHRCIIHR-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343397 569766300 /nfs/dbraw/zinc/76/63/00/569766300.db2.gz QPYSBCDHRCIIHR-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344087 569766734 /nfs/dbraw/zinc/76/67/34/569766734.db2.gz AJUCWNUKMFWQNH-SSEXGKCCSA-N 1 1 496.655 4.889 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000036344135 569766766 /nfs/dbraw/zinc/76/67/66/569766766.db2.gz DYAROPMJOGHNMS-WNCULLNHSA-N 1 1 491.632 4.655 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000036344135 569766767 /nfs/dbraw/zinc/76/67/67/569766767.db2.gz DYAROPMJOGHNMS-WNCULLNHSA-N 1 1 491.632 4.655 50 0 JJAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344500 569767021 /nfs/dbraw/zinc/76/70/21/569767021.db2.gz OZXXAHFAEZJAPD-VWLOTQADSA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344500 569767022 /nfs/dbraw/zinc/76/70/22/569767022.db2.gz OZXXAHFAEZJAPD-VWLOTQADSA-N 1 1 461.537 4.653 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344535 569767026 /nfs/dbraw/zinc/76/70/26/569767026.db2.gz OKTVYXRGONIEPR-IGKIAQTJSA-N 1 1 475.633 4.873 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344535 569767027 /nfs/dbraw/zinc/76/70/27/569767027.db2.gz OKTVYXRGONIEPR-IGKIAQTJSA-N 1 1 475.633 4.873 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344939 569767399 /nfs/dbraw/zinc/76/73/99/569767399.db2.gz MQDGXNBDFMMTPG-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344939 569767400 /nfs/dbraw/zinc/76/74/00/569767400.db2.gz MQDGXNBDFMMTPG-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346251 569769420 /nfs/dbraw/zinc/76/94/20/569769420.db2.gz PJBZIHRQWVVITP-DEOSSOPVSA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036346251 569769422 /nfs/dbraw/zinc/76/94/22/569769422.db2.gz PJBZIHRQWVVITP-DEOSSOPVSA-N 1 1 485.600 4.594 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346442 569769938 /nfs/dbraw/zinc/76/99/38/569769938.db2.gz ZIYHCLAJQJCYMV-QHCPKHFHSA-N 1 1 453.558 4.722 50 0 JJAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@H+](Cc1ccccc1)CC2)C(=O)c1ccccc1F ZINC000037377396 569784419 /nfs/dbraw/zinc/78/44/19/569784419.db2.gz XYBHIICNQVMYHT-UHFFFAOYSA-N 1 1 472.539 4.981 50 0 JJAAMO CN(Cc1nn(-c2ccc(F)cc2)c2c1C[N@@H+](Cc1ccccc1)CC2)C(=O)c1ccccc1F ZINC000037377396 569784421 /nfs/dbraw/zinc/78/44/21/569784421.db2.gz XYBHIICNQVMYHT-UHFFFAOYSA-N 1 1 472.539 4.981 50 0 JJAAMO C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@@H+](C)Cc1ccccc1 ZINC000037443409 569791100 /nfs/dbraw/zinc/79/11/00/569791100.db2.gz WCLOMZOYASIYID-NWKHUOOYSA-N 1 1 490.648 4.666 50 0 JJAAMO Clc1ccc(-c2nnc3c4ccccc4nc(N4CC[NH+](Cc5ccsc5)CC4)n23)cc1 ZINC000037554672 569794784 /nfs/dbraw/zinc/79/47/84/569794784.db2.gz QFPDYBMBPWWHIQ-UHFFFAOYSA-N 1 1 460.994 4.982 50 0 JJAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000037572259 569795857 /nfs/dbraw/zinc/79/58/57/569795857.db2.gz RDSUCEUGGGMMGA-UHFFFAOYSA-N 1 1 460.521 4.964 50 0 JJAAMO CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000038546460 569803140 /nfs/dbraw/zinc/80/31/40/569803140.db2.gz NHQNKMCIQVHWME-HSZRJFAPSA-N 1 1 453.608 4.891 50 0 JJAAMO C[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2cccc(F)c2)CC1 ZINC000038546501 569803163 /nfs/dbraw/zinc/80/31/63/569803163.db2.gz LPOUODLCQVXCJM-HSZRJFAPSA-N 1 1 453.583 4.948 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccs1)Sc1ccccc1-2 ZINC000039360231 569809544 /nfs/dbraw/zinc/80/95/44/569809544.db2.gz GZQIVYVSTZMHSP-HOYKHHGWSA-N 1 1 479.671 4.811 50 0 JJAAMO CC[NH+]1CCN(C[C@@H](C)CNc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000040149295 569818818 /nfs/dbraw/zinc/81/88/18/569818818.db2.gz YCGPHLHGCGAHQN-INIZCTEOSA-N 1 1 474.472 4.806 50 0 JJAAMO C[N@@H+](CCCN1C(=O)[C@@H](Oc2ccc(F)cc2Cl)[C@@H]1c1cscn1)Cc1ccccc1 ZINC000040157684 569821640 /nfs/dbraw/zinc/82/16/40/569821640.db2.gz GDVNHVCDJAZRPM-VXKWHMMOSA-N 1 1 459.974 4.789 50 0 JJAAMO S=c1n(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)nc(-c2cccnc2)n1C1CC1 ZINC000048289567 569845521 /nfs/dbraw/zinc/84/55/21/569845521.db2.gz OQPQXUIDNREFTB-UHFFFAOYSA-N 1 1 486.439 4.826 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(OCC)cc3)[C@H](C)C(C)C)n2)C1 ZINC000104960447 569847837 /nfs/dbraw/zinc/84/78/37/569847837.db2.gz VDSDWQAENIKMIG-IFMALSPDSA-N 1 1 485.625 4.535 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(OCC)cc3)[C@H](C)C(C)C)n2)C1 ZINC000104960447 569847838 /nfs/dbraw/zinc/84/78/38/569847838.db2.gz VDSDWQAENIKMIG-IFMALSPDSA-N 1 1 485.625 4.535 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983887 569848172 /nfs/dbraw/zinc/84/81/72/569848172.db2.gz XHCHISBQRNPHCJ-LADGPHEKSA-N 1 1 472.944 4.645 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983876 569848215 /nfs/dbraw/zinc/84/82/15/569848215.db2.gz LOOJVVAKQXTBNJ-UKILVPOCSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983876 569848217 /nfs/dbraw/zinc/84/82/17/569848217.db2.gz LOOJVVAKQXTBNJ-UKILVPOCSA-N 1 1 468.956 4.914 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008300 569850180 /nfs/dbraw/zinc/85/01/80/569850180.db2.gz ZZALIIXHNNHZJH-WZONZLPQSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105008300 569850183 /nfs/dbraw/zinc/85/01/83/569850183.db2.gz ZZALIIXHNNHZJH-WZONZLPQSA-N 1 1 488.415 4.946 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011050 569850978 /nfs/dbraw/zinc/85/09/78/569850978.db2.gz GUMPNIVBCZYPPB-ZEQKJWHPSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011050 569850980 /nfs/dbraw/zinc/85/09/80/569850980.db2.gz GUMPNIVBCZYPPB-ZEQKJWHPSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000105046789 569851806 /nfs/dbraw/zinc/85/18/06/569851806.db2.gz RAFFUFMWAUILHI-SMIHKQSGSA-N 1 1 484.587 4.681 50 0 JJAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000105046796 569851867 /nfs/dbraw/zinc/85/18/67/569851867.db2.gz RAFFUFMWAUILHI-WXFUMESZSA-N 1 1 484.587 4.681 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(F)c1 ZINC000052596118 569852469 /nfs/dbraw/zinc/85/24/69/569852469.db2.gz POIQMOAKOSUSDS-QPPBQGQZSA-N 1 1 490.604 4.762 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(F)c1 ZINC000052596118 569852470 /nfs/dbraw/zinc/85/24/70/569852470.db2.gz POIQMOAKOSUSDS-QPPBQGQZSA-N 1 1 490.604 4.762 50 0 JJAAMO Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000107490641 569856426 /nfs/dbraw/zinc/85/64/26/569856426.db2.gz MEJIAVHTNJGTBW-APWZRJJASA-N 1 1 498.718 4.771 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677128 569868530 /nfs/dbraw/zinc/86/85/30/569868530.db2.gz FAXDELZOWUIHHJ-VPUSJEBWSA-N 1 1 495.019 4.922 50 0 JJAAMO CC(C)[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000169678394 569869099 /nfs/dbraw/zinc/86/90/99/569869099.db2.gz WLYHIYICMQQRGF-JYFHCDHNSA-N 1 1 496.648 4.706 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000169677973 569869106 /nfs/dbraw/zinc/86/91/06/569869106.db2.gz DRPLKBLLTJQTMB-RPBOFIJWSA-N 1 1 462.565 4.878 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000169677973 569869107 /nfs/dbraw/zinc/86/91/07/569869107.db2.gz DRPLKBLLTJQTMB-RPBOFIJWSA-N 1 1 462.565 4.878 50 0 JJAAMO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)cc1 ZINC000169679075 569869443 /nfs/dbraw/zinc/86/94/43/569869443.db2.gz QDCRGHAUGJHLJS-UPVQGACJSA-N 1 1 473.539 4.958 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000169679271 569869568 /nfs/dbraw/zinc/86/95/68/569869568.db2.gz REMKEXMDXRZWCD-IRLDBZIGSA-N 1 1 472.944 4.645 50 0 JJAAMO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613448 569872879 /nfs/dbraw/zinc/87/28/79/569872879.db2.gz PWZZUQJEROFAAU-YKSBVNFPSA-N 1 1 480.992 4.873 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076696 570044382 /nfs/dbraw/zinc/04/43/82/570044382.db2.gz MQPFAXFHUBINJK-ZEQRLZLVSA-N 1 1 455.668 4.923 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000230129872 570045367 /nfs/dbraw/zinc/04/53/67/570045367.db2.gz QJGVQPAASSNLOY-SQHAQQRYSA-N 1 1 494.010 4.667 50 0 JJAAMO Cc1ccnc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000239808076 570052747 /nfs/dbraw/zinc/05/27/47/570052747.db2.gz KGIVOOFIUKTPAT-MRXNPFEDSA-N 1 1 495.977 4.581 50 0 JJAAMO Cc1ccnc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000239808076 570052749 /nfs/dbraw/zinc/05/27/49/570052749.db2.gz KGIVOOFIUKTPAT-MRXNPFEDSA-N 1 1 495.977 4.581 50 0 JJAAMO COc1ccc(CC[C@@]2(C)NC(=O)N(C[N@@H+]3CCCCC[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000245237282 570057252 /nfs/dbraw/zinc/05/72/52/570057252.db2.gz HTIWMWPYPKXARI-RPLLCQBOSA-N 1 1 465.594 4.522 50 0 JJAAMO COc1ccc(CC[C@@]2(C)NC(=O)N(C[N@H+]3CCCCC[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000245237282 570057253 /nfs/dbraw/zinc/05/72/53/570057253.db2.gz HTIWMWPYPKXARI-RPLLCQBOSA-N 1 1 465.594 4.522 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245241155 570058397 /nfs/dbraw/zinc/05/83/97/570058397.db2.gz YCYPRRLTJWAMAW-IOKPGSKQSA-N 1 1 468.642 4.551 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245279137 570061228 /nfs/dbraw/zinc/06/12/28/570061228.db2.gz FAXDELZOWUIHHJ-XNMGPUDCSA-N 1 1 495.019 4.922 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245328789 570065996 /nfs/dbraw/zinc/06/59/96/570065996.db2.gz PRELZQDZVVFEGS-WXVAWEFUSA-N 1 1 481.706 4.973 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245328789 570065997 /nfs/dbraw/zinc/06/59/97/570065997.db2.gz PRELZQDZVVFEGS-WXVAWEFUSA-N 1 1 481.706 4.973 50 0 JJAAMO Fc1ccc(Cn2nc(C[NH2+]Cc3ccc4c(c3)OCO4)c(-c3ccccc3)n2)c(Cl)c1 ZINC000247488610 570068270 /nfs/dbraw/zinc/06/82/70/570068270.db2.gz ATCKXYWXRSTBQQ-UHFFFAOYSA-N 1 1 450.901 4.804 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000247876387 570070429 /nfs/dbraw/zinc/07/04/29/570070429.db2.gz OTSSZYWKUPHQGU-FDJWOJMMSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000247876387 570070431 /nfs/dbraw/zinc/07/04/31/570070431.db2.gz OTSSZYWKUPHQGU-FDJWOJMMSA-N 1 1 452.595 4.627 50 0 JJAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCCCC1 ZINC000247873184 570070489 /nfs/dbraw/zinc/07/04/89/570070489.db2.gz RTZYXHGHWKERPR-NRFANRHFSA-N 1 1 451.014 4.963 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)nc3ccccc32)cc1 ZINC000247879832 570070662 /nfs/dbraw/zinc/07/06/62/570070662.db2.gz IIZSZTMVQGCNDD-QHCPKHFHSA-N 1 1 462.638 4.951 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NC4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247902528 570071061 /nfs/dbraw/zinc/07/10/61/570071061.db2.gz REWJJDSMFDYXOU-QFIPXVFZSA-N 1 1 460.622 4.754 50 0 JJAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4C(C)C)CC3)CC2)c1C ZINC000247986101 570072014 /nfs/dbraw/zinc/07/20/14/570072014.db2.gz IWIWXKOWPFZWSJ-UHFFFAOYSA-N 1 1 473.665 4.795 50 0 JJAAMO CC(C)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248006186 570072726 /nfs/dbraw/zinc/07/27/26/570072726.db2.gz ONFMMFXCNUDMJG-GOSISDBHSA-N 1 1 469.427 4.867 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000248026022 570072985 /nfs/dbraw/zinc/07/29/85/570072985.db2.gz WGUNSGZUWRTLRF-OAQYLSRUSA-N 1 1 480.056 4.831 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248118410 570074471 /nfs/dbraw/zinc/07/44/71/570074471.db2.gz WEHXZSUTNGVQMX-AJTFRIOCSA-N 1 1 481.706 4.891 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248118410 570074472 /nfs/dbraw/zinc/07/44/72/570074472.db2.gz WEHXZSUTNGVQMX-AJTFRIOCSA-N 1 1 481.706 4.891 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248118413 570074528 /nfs/dbraw/zinc/07/45/28/570074528.db2.gz WEHXZSUTNGVQMX-WXVAWEFUSA-N 1 1 481.706 4.891 50 0 JJAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248118413 570074530 /nfs/dbraw/zinc/07/45/30/570074530.db2.gz WEHXZSUTNGVQMX-WXVAWEFUSA-N 1 1 481.706 4.891 50 0 JJAAMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000249693937 570078686 /nfs/dbraw/zinc/07/86/86/570078686.db2.gz OGHWQLFFWVMLOR-FQEVSTJZSA-N 1 1 499.581 4.636 50 0 JJAAMO CCn1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000249693527 570078770 /nfs/dbraw/zinc/07/87/70/570078770.db2.gz OAQCANNZNHUELC-UHFFFAOYSA-N 1 1 499.581 4.636 50 0 JJAAMO CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000252517797 570082952 /nfs/dbraw/zinc/08/29/52/570082952.db2.gz RKMNNYCWZGTVFG-AFTJIJFZSA-N 1 1 467.698 4.557 50 0 JJAAMO Cc1coc2c1cc1c(C)c(CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc1c2C ZINC000253414799 570098603 /nfs/dbraw/zinc/09/86/03/570098603.db2.gz YQPOGECOHAIZMA-WMZHIEFXSA-N 1 1 450.579 4.730 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000299770059 570175594 /nfs/dbraw/zinc/17/55/94/570175594.db2.gz ZCNVEORGWWGPQH-PKTZIBPZSA-N 1 1 494.588 4.615 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000299770059 570175595 /nfs/dbraw/zinc/17/55/95/570175595.db2.gz ZCNVEORGWWGPQH-PKTZIBPZSA-N 1 1 494.588 4.615 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)c2C(=O)N1Cc1cccc(F)c1 ZINC000299793306 570177220 /nfs/dbraw/zinc/17/72/20/570177220.db2.gz IGNOMHAVZAMLRV-UHFFFAOYSA-N 1 1 497.492 4.963 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H](C)c3ccccc3)CC23CCCCC3)cc1 ZINC000002953390 194178483 /nfs/dbraw/zinc/17/84/83/194178483.db2.gz JESQAOUHFGPZPQ-QHCPKHFHSA-N 1 1 478.706 4.567 50 0 JJAAMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960534 194181689 /nfs/dbraw/zinc/18/16/89/194181689.db2.gz WRTZHXIUZVHXAP-JOCHJYFZSA-N 1 1 474.008 4.845 50 0 JJAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064007 194223209 /nfs/dbraw/zinc/22/32/09/194223209.db2.gz USRVYLHVUXYHLT-ONUIUJJFSA-N 1 1 469.610 4.950 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000009884375 195013193 /nfs/dbraw/zinc/01/31/93/195013193.db2.gz RFAPJUDSMKLTOP-OAQYLSRUSA-N 1 1 458.653 4.629 50 0 JJAAMO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000009884375 195013196 /nfs/dbraw/zinc/01/31/96/195013196.db2.gz RFAPJUDSMKLTOP-OAQYLSRUSA-N 1 1 458.653 4.629 50 0 JJAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000009952681 195034830 /nfs/dbraw/zinc/03/48/30/195034830.db2.gz YUVCRYONQYFXBR-UHFFFAOYSA-N 1 1 474.586 4.637 50 0 JJAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@H]2CCNC(C)=O)c(F)c1 ZINC000012709770 195094359 /nfs/dbraw/zinc/09/43/59/195094359.db2.gz AKWQHKRSABAQHC-NRFANRHFSA-N 1 1 450.558 4.568 50 0 JJAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCC(C(=O)N5CCCCC5)CC4)cc3)sc2c1 ZINC000012739438 195100636 /nfs/dbraw/zinc/10/06/36/195100636.db2.gz YHSLSUGQTZWQEQ-UHFFFAOYSA-N 1 1 476.646 4.935 50 0 JJAAMO COc1ccc(C[N@H+](CC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)C2CC2)cc1 ZINC000012791717 195132500 /nfs/dbraw/zinc/13/25/00/195132500.db2.gz PYVHZKZNSKOQLV-UHFFFAOYSA-N 1 1 498.627 4.748 50 0 JJAAMO COc1ccc(C[N@@H+](CC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)C2CC2)cc1 ZINC000012791717 195132502 /nfs/dbraw/zinc/13/25/02/195132502.db2.gz PYVHZKZNSKOQLV-UHFFFAOYSA-N 1 1 498.627 4.748 50 0 JJAAMO CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012810527 195143993 /nfs/dbraw/zinc/14/39/93/195143993.db2.gz UVLQBCCOADLUDM-UHFFFAOYSA-N 1 1 458.425 4.897 50 0 JJAAMO O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012855015 195157063 /nfs/dbraw/zinc/15/70/63/195157063.db2.gz UHLJEEAJNYLSSZ-UHFFFAOYSA-N 1 1 479.005 4.980 50 0 JJAAMO CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000012890638 195172859 /nfs/dbraw/zinc/17/28/59/195172859.db2.gz QUNHAUHBHBQFHY-UHFFFAOYSA-N 1 1 458.937 4.627 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726739 195207894 /nfs/dbraw/zinc/20/78/94/195207894.db2.gz KZNVGKWUGYXXMO-UTDQILSNSA-N 1 1 463.647 4.937 50 0 JJAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)CCc1ccccc1 ZINC000020728000 195208617 /nfs/dbraw/zinc/20/86/17/195208617.db2.gz RINPAVUMIOQEGR-XHPQRKPJSA-N 1 1 489.616 4.596 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@H+]5CCCC[C@H]35)CO4)c2=O)cc1OC ZINC000020762311 195218599 /nfs/dbraw/zinc/21/85/99/195218599.db2.gz LCHPQVANSHXVPE-GBXCKJPGSA-N 1 1 490.600 4.894 50 0 biogenic JJAAMO CC[C@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902846 195242097 /nfs/dbraw/zinc/24/20/97/195242097.db2.gz UVCLAYHRSLJRSQ-OUTSHDOLSA-N 1 1 478.681 4.959 50 0 JJAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020864639 195234311 /nfs/dbraw/zinc/23/43/11/195234311.db2.gz MMJJFYWMFHPEQP-NRFANRHFSA-N 1 1 474.630 4.610 50 0 JJAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166780 195288807 /nfs/dbraw/zinc/28/88/07/195288807.db2.gz YYHBVBRLAMOQGR-UHFFFAOYSA-N 1 1 455.045 4.598 50 0 JJAAMO Cc1nc(-c2ccc(NC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)no1 ZINC000021353785 195297083 /nfs/dbraw/zinc/29/70/83/195297083.db2.gz SJTRKVVYZCVBCA-UHFFFAOYSA-N 1 1 453.546 4.984 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021364671 195299804 /nfs/dbraw/zinc/29/98/04/195299804.db2.gz PGDOBGSTLBMSLB-MHZLTWQESA-N 1 1 468.642 4.534 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000021526688 195305193 /nfs/dbraw/zinc/30/51/93/195305193.db2.gz JWWMIOCGWURKOQ-GDLZYMKVSA-N 1 1 490.648 4.810 50 0 JJAAMO CCCC[N@@H+](CC)CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526694 195305254 /nfs/dbraw/zinc/30/52/54/195305254.db2.gz TVYVIMACPJLRHP-MHZLTWQESA-N 1 1 470.658 4.800 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)n2)cc1OC ZINC000021531456 195309773 /nfs/dbraw/zinc/30/97/73/195309773.db2.gz VQLRYDPPPAVRJM-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)n2)cc1OC ZINC000021531456 195309776 /nfs/dbraw/zinc/30/97/76/195309776.db2.gz VQLRYDPPPAVRJM-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000021794843 195322200 /nfs/dbraw/zinc/32/22/00/195322200.db2.gz NSDWAROGQNWMQW-UHFFFAOYSA-N 1 1 451.596 4.937 50 0 JJAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021808724 195323978 /nfs/dbraw/zinc/32/39/78/195323978.db2.gz UDAJGGZRKRZXAE-MAQPZARPSA-N 1 1 498.737 4.980 50 0 JJAAMO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c3C)cc1OCC ZINC000021913961 195331807 /nfs/dbraw/zinc/33/18/07/195331807.db2.gz PQQAZTGWCSEKOS-LJQANCHMSA-N 1 1 493.652 4.805 50 0 JJAAMO CC[N@@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915511 195331986 /nfs/dbraw/zinc/33/19/86/195331986.db2.gz PVFJVDRWWDYUHG-UHFFFAOYSA-N 1 1 470.617 4.775 50 0 JJAAMO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000021934822 195335803 /nfs/dbraw/zinc/33/58/03/195335803.db2.gz CQIHXZNHFKCELC-UHFFFAOYSA-N 1 1 486.019 4.811 50 0 JJAAMO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000058139727 195366770 /nfs/dbraw/zinc/36/67/70/195366770.db2.gz NUNLMDXYOUXMRN-SFHVURJKSA-N 1 1 470.639 4.690 50 0 JJAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000014881613 518449045 /nfs/dbraw/zinc/44/90/45/518449045.db2.gz UYEQPNQQJGQRQV-CUPKDKKMSA-N 1 1 475.637 4.967 50 0 JJAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000014751332 519732651 /nfs/dbraw/zinc/73/26/51/519732651.db2.gz IIQUBEHFLOVOPJ-LOSJGSFVSA-N 1 1 486.660 4.548 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146146 519755686 /nfs/dbraw/zinc/75/56/86/519755686.db2.gz UPZRZSCKZXRLSC-GOTSBHOMSA-N 1 1 482.518 4.873 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146138 519771892 /nfs/dbraw/zinc/77/18/92/519771892.db2.gz QHKWLNBGJNTFPS-VXKWHMMOSA-N 1 1 468.491 4.626 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145992 519773718 /nfs/dbraw/zinc/77/37/18/519773718.db2.gz HQCFRKHXPZRMPJ-YADHBBJMSA-N 1 1 451.394 4.775 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146377 519880917 /nfs/dbraw/zinc/88/09/17/519880917.db2.gz CUZFNRYZTOZFNS-PMACEKPBSA-N 1 1 497.394 4.832 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000036302800 520094686 /nfs/dbraw/zinc/09/46/86/520094686.db2.gz SESGJUBKCNUQIU-QFIPXVFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000036302800 520094695 /nfs/dbraw/zinc/09/46/95/520094695.db2.gz SESGJUBKCNUQIU-QFIPXVFZSA-N 1 1 465.594 4.597 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306537 520154774 /nfs/dbraw/zinc/15/47/74/520154774.db2.gz OASXBLJLLFEGDY-NOZRDPDXSA-N 1 1 479.621 4.566 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302414 520155113 /nfs/dbraw/zinc/15/51/13/520155113.db2.gz CBHHFPGJVZUEPY-HSZRJFAPSA-N 1 1 467.610 4.837 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000036304130 520155963 /nfs/dbraw/zinc/15/59/63/520155963.db2.gz RIAMPGBEDWSVRO-OAQYLSRUSA-N 1 1 459.537 4.859 50 0 JJAAMO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(C[N@@H+]1CC[C@@H](c3ccccc3)C1)C2=O ZINC000014943613 520784977 /nfs/dbraw/zinc/78/49/77/520784977.db2.gz LVXXXMGOJFEHDB-XPCYEKABSA-N 1 1 454.570 4.638 50 0 JJAAMO CC1(c2ccccc2)COC2(OC1)c1ccccc1N(C[N@H+]1CC[C@@H](c3ccccc3)C1)C2=O ZINC000014943613 520784986 /nfs/dbraw/zinc/78/49/86/520784986.db2.gz LVXXXMGOJFEHDB-XPCYEKABSA-N 1 1 454.570 4.638 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@@H](O)COCC(C)C ZINC000036208302 520938388 /nfs/dbraw/zinc/93/83/88/520938388.db2.gz KREPIILQLXKVJM-JOCHJYFZSA-N 1 1 455.599 4.817 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](Cc1ccco1)C[C@@H](O)COCC(C)C ZINC000036208302 520938391 /nfs/dbraw/zinc/93/83/91/520938391.db2.gz KREPIILQLXKVJM-JOCHJYFZSA-N 1 1 455.599 4.817 50 0 JJAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000033331927 520950520 /nfs/dbraw/zinc/95/05/20/520950520.db2.gz YHHRBODFWNJDHM-KGFICCSSSA-N 1 1 490.648 4.666 50 0 JJAAMO CCCCSc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CC(C)(C)OC3 ZINC000020437436 520978030 /nfs/dbraw/zinc/97/80/30/520978030.db2.gz FZUUYHQFYRNBDA-UHFFFAOYSA-N 1 1 450.674 4.569 50 0 JJAAMO CC1CCN(C(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000012279360 520978637 /nfs/dbraw/zinc/97/86/37/520978637.db2.gz LJRWWHHTGBCPJR-NRFANRHFSA-N 1 1 464.606 4.952 50 0 JJAAMO CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@@H+](C)CC3 ZINC000033265612 521555518 /nfs/dbraw/zinc/55/55/18/521555518.db2.gz OXXRRPVFPQXISJ-MRXNPFEDSA-N 1 1 464.591 4.812 50 0 JJAAMO CCOC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@H+](C)CC3 ZINC000033265612 521555530 /nfs/dbraw/zinc/55/55/30/521555530.db2.gz OXXRRPVFPQXISJ-MRXNPFEDSA-N 1 1 464.591 4.812 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036305522 521678369 /nfs/dbraw/zinc/67/83/69/521678369.db2.gz SRFWVMINDGQZFD-JOCHJYFZSA-N 1 1 467.610 4.886 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccco1 ZINC000036249853 521679375 /nfs/dbraw/zinc/67/93/75/521679375.db2.gz IMBVSDPZULPMAG-JOCHJYFZSA-N 1 1 453.583 4.715 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036304526 521679640 /nfs/dbraw/zinc/67/96/40/521679640.db2.gz MGJGAOOBAJMSRY-QHCPKHFHSA-N 1 1 467.610 4.980 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000033252387 521688713 /nfs/dbraw/zinc/68/87/13/521688713.db2.gz GUIBQJLXXARPBM-UHFFFAOYSA-N 1 1 467.573 4.793 50 0 JJAAMO COc1c(C)c[nH+]c(Cn2c3ccccc3nc2SCC(=O)Nc2ccc(F)cc2)c1C ZINC000033050822 521813853 /nfs/dbraw/zinc/81/38/53/521813853.db2.gz WHTMMHHCUJVYFR-UHFFFAOYSA-N 1 1 450.539 4.975 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036303212 522640057 /nfs/dbraw/zinc/64/00/57/522640057.db2.gz UNPWTYUWCIXVID-HSZRJFAPSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)(C)C ZINC000036303212 522640062 /nfs/dbraw/zinc/64/00/62/522640062.db2.gz UNPWTYUWCIXVID-HSZRJFAPSA-N 1 1 499.627 4.991 50 0 JJAAMO COc1cc(OC)nc(-c2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000016080181 522890498 /nfs/dbraw/zinc/89/04/98/522890498.db2.gz JJDSBCUPRIXPQX-UHFFFAOYSA-N 1 1 494.595 4.708 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@H+]5CCCC[C@H]35)CO4)c2=O)cc1 ZINC000036569769 523158193 /nfs/dbraw/zinc/15/81/93/523158193.db2.gz XPTWAYCLCYQFRO-CJFMBICVSA-N 1 1 460.574 4.885 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COc4ccccc4)nc(=O)c23)cc1 ZINC000036207824 523173136 /nfs/dbraw/zinc/17/31/36/523173136.db2.gz OXRVNOQDLCMMEU-HXUWFJFHSA-N 1 1 493.629 4.558 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COc4ccccc4)nc(=O)c23)cc1 ZINC000036207824 523173141 /nfs/dbraw/zinc/17/31/41/523173141.db2.gz OXRVNOQDLCMMEU-HXUWFJFHSA-N 1 1 493.629 4.558 50 0 JJAAMO CN(Cc1ccccc1)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036250641 523335168 /nfs/dbraw/zinc/33/51/68/523335168.db2.gz FFBIQZCHLTWQBH-HHHXNRCGSA-N 1 1 475.677 4.959 50 0 JJAAMO CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4cccc(F)c4F)CC3)ccc2o1 ZINC000014994860 523537747 /nfs/dbraw/zinc/53/77/47/523537747.db2.gz JZCGBMZVIDRJPV-UHFFFAOYSA-N 1 1 497.567 4.923 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000016891039 523735205 /nfs/dbraw/zinc/73/52/05/523735205.db2.gz BLTUPTWIHLJRPZ-IQGLISFBSA-N 1 1 483.609 4.586 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036306330 523735301 /nfs/dbraw/zinc/73/53/01/523735301.db2.gz GEWGQQJGMPMAGH-HSZRJFAPSA-N 1 1 481.637 4.812 50 0 JJAAMO COc1ccc(CCC(=O)NCC[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1OC ZINC000020452766 523922180 /nfs/dbraw/zinc/92/21/80/523922180.db2.gz CPQURHRPCJQQDV-HHHXNRCGSA-N 1 1 478.564 4.528 50 0 JJAAMO COc1ccc(CCC(=O)NCC[N@@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1OC ZINC000020452766 523922188 /nfs/dbraw/zinc/92/21/88/523922188.db2.gz CPQURHRPCJQQDV-HHHXNRCGSA-N 1 1 478.564 4.528 50 0 JJAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccco2)C1 ZINC000014994532 524091437 /nfs/dbraw/zinc/09/14/37/524091437.db2.gz CQIGFPWGNLYHHF-FQEVSTJZSA-N 1 1 476.573 4.945 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)s1 ZINC000014961734 524475918 /nfs/dbraw/zinc/47/59/18/524475918.db2.gz OEMKBTBXNFBMBF-HSZRJFAPSA-N 1 1 465.667 4.840 50 0 JJAAMO COc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](Cc4cccc(Cl)c4)CC3)no2)cc1OC ZINC000008599089 524485914 /nfs/dbraw/zinc/48/59/14/524485914.db2.gz MBAPYOYBUKTPPG-UHFFFAOYSA-N 1 1 482.968 4.601 50 0 JJAAMO COc1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4cccc(Cl)c4)CC3)no2)cc1OC ZINC000008599089 524485926 /nfs/dbraw/zinc/48/59/26/524485926.db2.gz MBAPYOYBUKTPPG-UHFFFAOYSA-N 1 1 482.968 4.601 50 0 JJAAMO Cc1ccc(CNc2ncnc3sc(C(=O)N[C@H]4CC[N@@H+](Cc5ccccc5)C4)c(C)c32)o1 ZINC000012218053 524620996 /nfs/dbraw/zinc/62/09/96/524620996.db2.gz UAXSGEIMBCDJLI-IBGZPJMESA-N 1 1 461.591 4.518 50 0 JJAAMO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302110 524693642 /nfs/dbraw/zinc/69/36/42/524693642.db2.gz RXMBKRNZXPRYDZ-HSZRJFAPSA-N 1 1 465.594 4.732 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COC(C)C)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302110 524693652 /nfs/dbraw/zinc/69/36/52/524693652.db2.gz RXMBKRNZXPRYDZ-HSZRJFAPSA-N 1 1 465.594 4.732 50 0 JJAAMO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CCCN(c5ccc(C(F)(F)F)cn5)CC4)nc(N)c23)C1 ZINC000008718763 524726059 /nfs/dbraw/zinc/72/60/59/524726059.db2.gz PYKAOOMXPZGHBA-OAHLLOKOSA-N 1 1 490.599 4.567 50 0 JJAAMO COc1ccc(OC)c(NC(=O)CCc2nc(C3=CC[N@H+](Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069216 524848099 /nfs/dbraw/zinc/84/80/99/524848099.db2.gz GKYRPTXHNCXZBV-UHFFFAOYSA-N 1 1 482.968 4.601 50 0 JJAAMO COc1ccc(OC)c(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4ccc(Cl)cc4)CC3)no2)c1 ZINC000033069216 524848111 /nfs/dbraw/zinc/84/81/11/524848111.db2.gz GKYRPTXHNCXZBV-UHFFFAOYSA-N 1 1 482.968 4.601 50 0 JJAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cccnc3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012247103 525108611 /nfs/dbraw/zinc/10/86/11/525108611.db2.gz SXOQYRYKVPTMFL-YSOGYCHQSA-N 1 1 477.674 4.766 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146603 525308327 /nfs/dbraw/zinc/30/83/27/525308327.db2.gz JFBQOXJOFFFKRB-DQEYMECFSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146603 525308332 /nfs/dbraw/zinc/30/83/32/525308332.db2.gz JFBQOXJOFFFKRB-DQEYMECFSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc(C)[nH+]2)cc1 ZINC000021793968 525321973 /nfs/dbraw/zinc/32/19/73/525321973.db2.gz VNNLSGJNLFADFX-UHFFFAOYSA-N 1 1 455.484 4.818 50 0 JJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793977 525323819 /nfs/dbraw/zinc/32/38/19/525323819.db2.gz OMIDJAPPDDYUPN-UHFFFAOYSA-N 1 1 455.484 4.818 50 0 JJAAMO Cc1cc(O)c([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698230 525326290 /nfs/dbraw/zinc/32/62/90/525326290.db2.gz CNNZBBRQZGVYJY-MHZLTWQESA-N 1 1 491.538 4.693 50 0 JJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1OC ZINC000013616266 525432412 /nfs/dbraw/zinc/43/24/12/525432412.db2.gz MBMCTHRJTSVSOJ-KAYWLYCHSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1ccc2nc(N3CCC(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)CC3)sc2c1 ZINC000004757451 525673117 /nfs/dbraw/zinc/67/31/17/525673117.db2.gz RKHPQEXIVVBBGY-UHFFFAOYSA-N 1 1 480.678 4.938 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(C)c2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456437 525820159 /nfs/dbraw/zinc/82/01/59/525820159.db2.gz CVNLTBKHSLKBHP-UHFFFAOYSA-N 1 1 478.596 4.724 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2cccc(C)c2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456437 525820168 /nfs/dbraw/zinc/82/01/68/525820168.db2.gz CVNLTBKHSLKBHP-UHFFFAOYSA-N 1 1 478.596 4.724 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456352 525820803 /nfs/dbraw/zinc/82/08/03/525820803.db2.gz FDSJVWFFEYJNAQ-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)Nc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456352 525820808 /nfs/dbraw/zinc/82/08/08/525820808.db2.gz FDSJVWFFEYJNAQ-UHFFFAOYSA-N 1 1 482.559 4.555 50 0 JJAAMO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)c1 ZINC000014990539 525830434 /nfs/dbraw/zinc/83/04/34/525830434.db2.gz GAZAHHXATXKEKC-JOCHJYFZSA-N 1 1 495.627 4.811 50 0 JJAAMO COc1cccc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC ZINC000013730080 525921466 /nfs/dbraw/zinc/92/14/66/525921466.db2.gz RLJGINMBIMOWPI-UHFFFAOYSA-N 1 1 482.408 4.767 50 0 JJAAMO Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@H+](C)C2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000014994382 526127919 /nfs/dbraw/zinc/12/79/19/526127919.db2.gz LSNPKBWELAYNGL-KOSHJBKYSA-N 1 1 479.671 4.669 50 0 JJAAMO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303857 526241670 /nfs/dbraw/zinc/24/16/70/526241670.db2.gz ODIBAZXXUGEGCE-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303857 526241675 /nfs/dbraw/zinc/24/16/75/526241675.db2.gz ODIBAZXXUGEGCE-XMMPIXPASA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)CC3)[nH]c2c1 ZINC000033070837 526252657 /nfs/dbraw/zinc/25/26/57/526252657.db2.gz NPYQUXPORSXHNO-UHFFFAOYSA-N 1 1 473.665 4.549 50 0 JJAAMO O=C(CC1CCCC1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000020450398 526354472 /nfs/dbraw/zinc/35/44/72/526354472.db2.gz TVWHVLQJTWPFTD-NDEPHWFRSA-N 1 1 490.692 4.597 50 0 JJAAMO O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016392048 526597021 /nfs/dbraw/zinc/59/70/21/526597021.db2.gz ISFFXKMWPJDROD-UHFFFAOYSA-N 1 1 456.977 4.951 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1cccc(Cl)c1 ZINC000033069236 526649749 /nfs/dbraw/zinc/64/97/49/526649749.db2.gz YTTLKCXDOVLYTK-UHFFFAOYSA-N 1 1 471.388 4.915 50 0 JJAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NCc1cccc(Cl)c1 ZINC000033069236 526649754 /nfs/dbraw/zinc/64/97/54/526649754.db2.gz YTTLKCXDOVLYTK-UHFFFAOYSA-N 1 1 471.388 4.915 50 0 JJAAMO Cc1nc(C[N@H+](C)[C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)cs1 ZINC000014964776 526845646 /nfs/dbraw/zinc/84/56/46/526845646.db2.gz JJRKWTRPSJGASW-IBGZPJMESA-N 1 1 468.623 4.594 50 0 JJAAMO O=c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000020519327 527477570 /nfs/dbraw/zinc/47/75/70/527477570.db2.gz XBMPMLHJLHIHRD-JXMROGBWSA-N 1 1 452.554 4.997 50 0 aggregator JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(OC)c2OC)cc1 ZINC000002336636 554154163 /nfs/dbraw/zinc/15/41/63/554154163.db2.gz RISDJDSBPHYMHP-VPUSJEBWSA-N 1 1 482.540 4.825 50 0 JJAAMO CC[NH+](CC)c1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1 ZINC000002432401 554205552 /nfs/dbraw/zinc/20/55/52/554205552.db2.gz HXWLODXQPFJWBB-UHFFFAOYSA-N 1 1 458.606 4.839 50 0 JJAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000002449694 554216742 /nfs/dbraw/zinc/21/67/42/554216742.db2.gz ZNOXNBXYHRSVAG-SXOMAYOGSA-N 1 1 482.540 4.907 50 0 JJAAMO CCCC[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000008812938 554694842 /nfs/dbraw/zinc/69/48/42/554694842.db2.gz BYBCNVMOLSVNQW-HXUWFJFHSA-N 1 1 459.993 4.641 50 0 JJAAMO CC[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000008814462 554696722 /nfs/dbraw/zinc/69/67/22/554696722.db2.gz DUJJKNIFMWGWQE-MRXNPFEDSA-N 1 1 450.593 4.736 50 0 JJAAMO CC1CCN(c2nc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3s2)CC1 ZINC000008912720 554803292 /nfs/dbraw/zinc/80/32/92/554803292.db2.gz HGCMDHVAVOUZJL-UHFFFAOYSA-N 1 1 495.668 4.614 50 0 JJAAMO Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NC3CC[NH+](CC(N)=O)CC3)c2c1C ZINC000008938013 554830972 /nfs/dbraw/zinc/83/09/72/554830972.db2.gz FSOKCKRHUSVDBN-UHFFFAOYSA-N 1 1 476.071 4.615 50 0 JJAAMO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)o1 ZINC000009115482 554902433 /nfs/dbraw/zinc/90/24/33/554902433.db2.gz XSGCOJOJMSXEGO-MGBGTMOVSA-N 1 1 464.631 4.580 50 0 JJAAMO COc1ccc([S@](=O)Cc2ccc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)o2)cc1 ZINC000009115733 554902865 /nfs/dbraw/zinc/90/28/65/554902865.db2.gz CCINWZJMOWJCFX-XIFFEERXSA-N 1 1 468.619 4.627 50 0 JJAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000009115784 554902878 /nfs/dbraw/zinc/90/28/78/554902878.db2.gz QKFLSYIDYDZHLE-JGCGQSQUSA-N 1 1 456.583 4.757 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)CC1 ZINC000009265413 555041408 /nfs/dbraw/zinc/04/14/08/555041408.db2.gz GDHMPURQRVDAHO-UHFFFAOYSA-N 1 1 477.605 4.957 50 0 JJAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)cc1 ZINC000009292052 555066836 /nfs/dbraw/zinc/06/68/36/555066836.db2.gz VMOVLBLAUGUKCW-RRPNLBNLSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009291923 555066852 /nfs/dbraw/zinc/06/68/52/555066852.db2.gz AHASVXMLLYWGTO-ILBGXUMGSA-N 1 1 456.477 4.647 50 0 JJAAMO Brc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293427 555068945 /nfs/dbraw/zinc/06/89/45/555068945.db2.gz SHHYMUSYLMQKMA-FCHUYYIVSA-N 1 1 458.319 4.648 50 0 JJAAMO Brc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009293426 555068961 /nfs/dbraw/zinc/06/89/61/555068961.db2.gz SHHYMUSYLMQKMA-VXKWHMMOSA-N 1 1 458.319 4.648 50 0 JJAAMO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(N2CC[NH+](C)CC2)n1 ZINC000009308307 555082036 /nfs/dbraw/zinc/08/20/36/555082036.db2.gz UZKQIEDWHKTXLF-UHFFFAOYSA-N 1 1 471.696 4.763 50 0 JJAAMO COC(=O)c1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009346249 555113072 /nfs/dbraw/zinc/11/30/72/555113072.db2.gz YMUHAPPTWJGBMC-UIOOFZCWSA-N 1 1 480.524 4.594 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000009347710 555113819 /nfs/dbraw/zinc/11/38/19/555113819.db2.gz FBOJOQBLFVIYMU-VPUSJEBWSA-N 1 1 498.539 4.525 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433458 555203665 /nfs/dbraw/zinc/20/36/65/555203665.db2.gz LBPCMQHXRCHVBN-CTUHWIOQSA-N 1 1 451.636 4.572 50 0 JJAAMO COc1cccc(-n2cc(C(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)c3ccccc3c2=O)c1 ZINC000009439010 555208685 /nfs/dbraw/zinc/20/86/85/555208685.db2.gz USGUKHQPDRQENT-UHFFFAOYSA-N 1 1 485.584 4.767 50 0 JJAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000009451080 555223401 /nfs/dbraw/zinc/22/34/01/555223401.db2.gz AKPHAIILUUTVOI-JOCHJYFZSA-N 1 1 465.619 4.857 50 0 JJAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(OC)c1 ZINC000009451080 555223403 /nfs/dbraw/zinc/22/34/03/555223403.db2.gz AKPHAIILUUTVOI-JOCHJYFZSA-N 1 1 465.619 4.857 50 0 JJAAMO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000009582861 555389890 /nfs/dbraw/zinc/38/98/90/555389890.db2.gz BQAKXEBNPLBMKG-SANMLTNESA-N 1 1 457.574 4.791 50 0 JJAAMO Fc1ccc(-c2nc3c(Br)c(-c4ccccc4)nn3cc2CC[NH+]2CCOCC2)cc1 ZINC000013397498 555395080 /nfs/dbraw/zinc/39/50/80/555395080.db2.gz WLCSMYMGQXHOAY-UHFFFAOYSA-N 1 1 481.369 4.840 50 0 JJAAMO Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000009678384 555402470 /nfs/dbraw/zinc/40/24/70/555402470.db2.gz ZPNBOFYXDFUIJE-UHFFFAOYSA-N 1 1 499.586 4.850 50 0 JJAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)CC1 ZINC000009607015 555433137 /nfs/dbraw/zinc/43/31/37/555433137.db2.gz JKZQFVNPSHCGTF-UHFFFAOYSA-N 1 1 456.546 4.876 50 0 JJAAMO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c12 ZINC000009610389 555440585 /nfs/dbraw/zinc/44/05/85/555440585.db2.gz WXXJETRHAXMASJ-SFHVURJKSA-N 1 1 452.002 4.685 50 0 JJAAMO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c12 ZINC000009610442 555440757 /nfs/dbraw/zinc/44/07/57/555440757.db2.gz AZEGSCVKMWJCQC-UHFFFAOYSA-N 1 1 453.590 4.524 50 0 JJAAMO COc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5c(C)nc6cc(C)ccn65)CC4)c23)cc1 ZINC000009715262 555446885 /nfs/dbraw/zinc/44/68/85/555446885.db2.gz AVMDSLDWMJMLQO-UHFFFAOYSA-N 1 1 484.629 4.954 50 0 JJAAMO Cc1cc(-c2ccc(NC(=O)C[NH+]3CCCCC3)c(C)c2)ccc1NC(=O)CN1CCCCC1 ZINC000013562362 555496808 /nfs/dbraw/zinc/49/68/08/555496808.db2.gz SKPAOBXVPPJFRZ-UHFFFAOYSA-N 1 1 462.638 4.819 50 0 JJAAMO CCc1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](CCO)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880692 555525960 /nfs/dbraw/zinc/52/59/60/555525960.db2.gz LUOSUDHJAGZQKT-DEOSSOPVSA-N 1 1 484.065 4.916 50 0 JJAAMO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n2n1 ZINC000009831125 555532509 /nfs/dbraw/zinc/53/25/09/555532509.db2.gz ZUXIYCIFFZQHLX-BGYRXZFFSA-N 1 1 482.636 4.853 50 0 JJAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035835 555610243 /nfs/dbraw/zinc/61/02/43/555610243.db2.gz WNYLWLSUHNCDBB-UHFFFAOYSA-N 1 1 480.564 4.710 50 0 JJAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035835 555610248 /nfs/dbraw/zinc/61/02/48/555610248.db2.gz WNYLWLSUHNCDBB-UHFFFAOYSA-N 1 1 480.564 4.710 50 0 JJAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000010202905 555646071 /nfs/dbraw/zinc/64/60/71/555646071.db2.gz JTVQRDVPGMIGHX-UHFFFAOYSA-N 1 1 475.658 4.979 50 0 JJAAMO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000020181303 555688164 /nfs/dbraw/zinc/68/81/64/555688164.db2.gz SWABLYAVFWYKEX-DIWDRYHZSA-N 1 1 463.647 4.713 50 0 JJAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)[NH+](C)C ZINC000014122119 555695073 /nfs/dbraw/zinc/69/50/73/555695073.db2.gz MCQXFBDEWFGLHM-KYRCVXBYSA-N 1 1 475.633 4.883 50 0 JJAAMO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([N@@H+](C)Cc2ccccc2)C4)c1 ZINC000020233525 555724595 /nfs/dbraw/zinc/72/45/95/555724595.db2.gz MQGMEZUMQICJGF-OAQYLSRUSA-N 1 1 459.615 4.699 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241109 555736603 /nfs/dbraw/zinc/73/66/03/555736603.db2.gz WVTXSMZTLWVHPL-HXUWFJFHSA-N 1 1 475.655 4.671 50 0 JJAAMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241419 555736865 /nfs/dbraw/zinc/73/68/65/555736865.db2.gz CXRHZOAHPAZNFT-HBBDQGAXSA-N 1 1 466.453 4.624 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000020289779 555761286 /nfs/dbraw/zinc/76/12/86/555761286.db2.gz SUHYOOVCVIUZCH-BCHFMIIMSA-N 1 1 467.610 4.507 50 0 JJAAMO COc1ccc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c2ccccc12 ZINC000011784997 555816940 /nfs/dbraw/zinc/81/69/40/555816940.db2.gz NHFZSCFXMPQIPJ-DVECYGJZSA-N 1 1 474.630 4.985 50 0 JJAAMO CCCCc1nc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3CCC(C)C)c[nH]1 ZINC000014534149 555822670 /nfs/dbraw/zinc/82/26/70/555822670.db2.gz SLKJUSDEYMOSTN-UHFFFAOYSA-N 1 1 495.668 4.606 50 0 JJAAMO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](C/C(Cl)=C/c1ccccc1)CC2 ZINC000014537438 555827086 /nfs/dbraw/zinc/82/70/86/555827086.db2.gz ORXAASTZRKOBRF-CLCOLTQESA-N 1 1 482.024 4.602 50 0 JJAAMO COc1ccc2c(C)c(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1 ZINC000020590103 555837955 /nfs/dbraw/zinc/83/79/55/555837955.db2.gz OPSBQHKCKGOICY-UHFFFAOYSA-N 1 1 496.607 4.976 50 0 JJAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cn1 ZINC000015000588 555845077 /nfs/dbraw/zinc/84/50/77/555845077.db2.gz JREHEUIYLUCZQT-YADHBBJMSA-N 1 1 479.650 4.630 50 0 JJAAMO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000015000873 555845439 /nfs/dbraw/zinc/84/54/39/555845439.db2.gz RETPKTUMUYWYRW-GOSISDBHSA-N 1 1 491.979 4.866 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020686598 555847205 /nfs/dbraw/zinc/84/72/05/555847205.db2.gz JNKMSEDHGGNYIG-OHUGHZGNSA-N 1 1 468.041 4.849 50 0 JJAAMO COc1ccccc1[C@@H]([C@@H](O)C(=O)c1c[nH]c2ccccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015017580 555858785 /nfs/dbraw/zinc/85/87/85/555858785.db2.gz ZUKHPVKRMOMZBA-XTEPFMGCSA-N 1 1 490.003 4.937 50 0 JJAAMO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CCC[N@@H+](Cc5ccccc5)C4)c3C3CC3)n2)o1 ZINC000011976886 555875801 /nfs/dbraw/zinc/87/58/01/555875801.db2.gz QVJADQQYDOUJKH-JOCHJYFZSA-N 1 1 482.588 4.503 50 0 JJAAMO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)c1 ZINC000015319157 555897311 /nfs/dbraw/zinc/89/73/11/555897311.db2.gz DDTOXYXZWVFIFO-UWJYYQICSA-N 1 1 488.510 4.845 50 0 JJAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3cc(C)ccc3n(Cc3cccc(F)c3)c2=O)C1 ZINC000012150329 555922399 /nfs/dbraw/zinc/92/23/99/555922399.db2.gz OPAABTNXXXBJAO-JOCHJYFZSA-N 1 1 463.597 4.578 50 0 JJAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)nc1CSc1ccc(C)cc1 ZINC000015682175 555951567 /nfs/dbraw/zinc/95/15/67/555951567.db2.gz QNSNRDWUGNHXSN-UHFFFAOYSA-N 1 1 465.619 4.703 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)Nc4ccc(C)cc4Cl)CC3)n2)cc1OC ZINC000015726381 555964762 /nfs/dbraw/zinc/96/47/62/555964762.db2.gz WWDJTUQXBYRIFT-UHFFFAOYSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N[C@@H](c4cccs4)C(C)C)CC3)n2)cc1OC ZINC000015726478 555965156 /nfs/dbraw/zinc/96/51/56/555965156.db2.gz MHPLOPAFZVCIIU-HSZRJFAPSA-N 1 1 484.622 4.541 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000015732338 555976618 /nfs/dbraw/zinc/97/66/18/555976618.db2.gz ZZQUJPOQCVHOTA-OAQYLSRUSA-N 1 1 492.689 4.925 50 0 JJAAMO Fc1ccc([C@H](NCCC[NH+]2CCN(c3ccccc3F)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733634 555978984 /nfs/dbraw/zinc/97/89/84/555978984.db2.gz FKBNVORRDXNFOU-SANMLTNESA-N 1 1 489.570 4.906 50 0 JJAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000023074284 556004515 /nfs/dbraw/zinc/00/45/15/556004515.db2.gz ZAOIMWQOKOOKGC-FQEVSTJZSA-N 1 1 477.630 4.955 50 0 JJAAMO Cc1cc(C)n2nc(SCc3ccccc3C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)nc2n1 ZINC000023192672 556030181 /nfs/dbraw/zinc/03/01/81/556030181.db2.gz RJUFHEQDMGPLRY-JOCHJYFZSA-N 1 1 495.052 4.720 50 0 JJAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860508 556031656 /nfs/dbraw/zinc/03/16/56/556031656.db2.gz OPHAEVABGDCPRD-GOSISDBHSA-N 1 1 473.367 4.660 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023449851 556064741 /nfs/dbraw/zinc/06/47/41/556064741.db2.gz QWGJFIICJJTHIP-QHCPKHFHSA-N 1 1 473.617 4.887 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000015944518 556080935 /nfs/dbraw/zinc/08/09/35/556080935.db2.gz IASAVWBJKSJBLV-BGYRXZFFSA-N 1 1 487.088 5.000 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000015944518 556080939 /nfs/dbraw/zinc/08/09/39/556080939.db2.gz IASAVWBJKSJBLV-BGYRXZFFSA-N 1 1 487.088 5.000 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CC[C@@H](C)C2 ZINC000015946901 556084054 /nfs/dbraw/zinc/08/40/54/556084054.db2.gz JLWYVBPYMPVREH-QGZVFWFLSA-N 1 1 455.624 4.804 50 0 JJAAMO COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CCCCC2 ZINC000015946954 556084407 /nfs/dbraw/zinc/08/44/07/556084407.db2.gz YRMFMCIHCKXYAK-UHFFFAOYSA-N 1 1 455.624 4.948 50 0 JJAAMO O=C(CCc1nc(-c2ccsc2)no1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023968640 556109389 /nfs/dbraw/zinc/10/93/89/556109389.db2.gz CCBRBPHAQPFXCZ-UHFFFAOYSA-N 1 1 458.587 4.665 50 0 JJAAMO COc1cc(CNCC2([NH+](C)C)CCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000024081820 556120726 /nfs/dbraw/zinc/12/07/26/556120726.db2.gz WBFFRRLBDWLMAK-UHFFFAOYSA-N 1 1 453.627 4.602 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038863 556120991 /nfs/dbraw/zinc/12/09/91/556120991.db2.gz ZVIYIOQTHVXLRN-BQJUDKOJSA-N 1 1 479.374 4.580 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038863 556120994 /nfs/dbraw/zinc/12/09/94/556120994.db2.gz ZVIYIOQTHVXLRN-BQJUDKOJSA-N 1 1 479.374 4.580 50 0 JJAAMO O=C1N[C@@H](c2cccc(Br)c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000016185261 556127966 /nfs/dbraw/zinc/12/79/66/556127966.db2.gz HGOIQONIZSTFQQ-HXUWFJFHSA-N 1 1 454.393 4.923 50 0 JJAAMO O=C1N[C@@H](c2cccc(Br)c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000016185261 556127971 /nfs/dbraw/zinc/12/79/71/556127971.db2.gz HGOIQONIZSTFQQ-HXUWFJFHSA-N 1 1 454.393 4.923 50 0 JJAAMO CCn1c(SCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)nnc1-c1cccc(Cl)c1 ZINC000024417151 556130908 /nfs/dbraw/zinc/13/09/08/556130908.db2.gz MEFGVIBICAOKJG-SFHVURJKSA-N 1 1 470.042 4.616 50 0 JJAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012915264 556134303 /nfs/dbraw/zinc/13/43/03/556134303.db2.gz RPVIZNXRKFIBOX-QHCPKHFHSA-N 1 1 464.587 4.898 50 0 JJAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012915264 556134305 /nfs/dbraw/zinc/13/43/05/556134305.db2.gz RPVIZNXRKFIBOX-QHCPKHFHSA-N 1 1 464.587 4.898 50 0 JJAAMO CCCn1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024601467 556138012 /nfs/dbraw/zinc/13/80/12/556138012.db2.gz FJOFPKKUSLXHEI-GOSISDBHSA-N 1 1 497.690 4.686 50 0 JJAAMO CCCn1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024601467 556138016 /nfs/dbraw/zinc/13/80/16/556138016.db2.gz FJOFPKKUSLXHEI-GOSISDBHSA-N 1 1 497.690 4.686 50 0 JJAAMO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012928670 556146410 /nfs/dbraw/zinc/14/64/10/556146410.db2.gz SIFPKVNPCBSLEB-UHFFFAOYSA-N 1 1 459.171 4.655 50 0 JJAAMO C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012928670 556146412 /nfs/dbraw/zinc/14/64/12/556146412.db2.gz SIFPKVNPCBSLEB-UHFFFAOYSA-N 1 1 459.171 4.655 50 0 JJAAMO O=c1[nH]c(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nc2ccsc21 ZINC000024716291 556146785 /nfs/dbraw/zinc/14/67/85/556146785.db2.gz MOPQPGDULSKGSZ-UHFFFAOYSA-N 1 1 457.024 4.684 50 0 JJAAMO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012932676 556148839 /nfs/dbraw/zinc/14/88/39/556148839.db2.gz PEFBEEUTZQVFCX-GCJKJVERSA-N 1 1 465.619 4.857 50 0 JJAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184773 556203970 /nfs/dbraw/zinc/20/39/70/556203970.db2.gz GLZLEXLSPBJSHG-IXCJQBJRSA-N 1 1 471.004 4.996 50 0 JJAAMO C[C@@H]1C[N@@H+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Br)cc3)c(O)c2)C[C@H](C)O1 ZINC000017112550 556217619 /nfs/dbraw/zinc/21/76/19/556217619.db2.gz RYOAGJPHIMOKPB-IYBDPMFKSA-N 1 1 472.383 4.700 50 0 JJAAMO C[C@@H]1C[N@H+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Br)cc3)c(O)c2)C[C@H](C)O1 ZINC000017112550 556217622 /nfs/dbraw/zinc/21/76/22/556217622.db2.gz RYOAGJPHIMOKPB-IYBDPMFKSA-N 1 1 472.383 4.700 50 0 JJAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000013040527 556243809 /nfs/dbraw/zinc/24/38/09/556243809.db2.gz ISMWWOLJFUUQCL-HNNXBMFYSA-N 1 1 455.908 4.654 50 0 JJAAMO C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000013040527 556243813 /nfs/dbraw/zinc/24/38/13/556243813.db2.gz ISMWWOLJFUUQCL-HNNXBMFYSA-N 1 1 455.908 4.654 50 0 JJAAMO O=C1C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000018067646 556283104 /nfs/dbraw/zinc/28/31/04/556283104.db2.gz MXOYPWKNIFULLV-IBGZPJMESA-N 1 1 476.886 4.747 50 0 JJAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCc4cc(F)cc(F)c4)CC3)C2=O)cc1 ZINC000018220183 556312767 /nfs/dbraw/zinc/31/27/67/556312767.db2.gz LLFQCBUZMORBNF-DEOSSOPVSA-N 1 1 456.533 4.730 50 0 JJAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000028290180 556328223 /nfs/dbraw/zinc/32/82/23/556328223.db2.gz WEVYTFVLQUWYJY-MRXNPFEDSA-N 1 1 461.381 4.574 50 0 JJAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028290171 556328369 /nfs/dbraw/zinc/32/83/69/556328369.db2.gz AQJXMNCNUVRJEU-INIZCTEOSA-N 1 1 461.381 4.574 50 0 JJAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccncc2)cc1 ZINC000013122747 556338906 /nfs/dbraw/zinc/33/89/06/556338906.db2.gz YEXICRGWCBCMNY-FGZHOGPDSA-N 1 1 458.319 4.648 50 0 JJAAMO COc1ccc(CCNC(=O)CC[N@@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1OC ZINC000019743881 556365563 /nfs/dbraw/zinc/36/55/63/556365563.db2.gz XFBIRGQAJLGFSB-MHZLTWQESA-N 1 1 478.564 4.528 50 0 JJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4c(OC)cccc4OC)CC3)ccc21 ZINC000019773401 556369132 /nfs/dbraw/zinc/36/91/32/556369132.db2.gz WJHIALBLEGGWGW-UHFFFAOYSA-N 1 1 457.574 4.790 50 0 JJAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@H](C(=O)[O-])c3c4ccccc4[nH]c3-c3ccccc3)CC2)c1C ZINC000031808749 556405600 /nfs/dbraw/zinc/40/56/00/556405600.db2.gz GLYWENJUFAKNJD-MHZLTWQESA-N 1 1 484.600 4.799 50 0 JJAAMO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)[NH+]2CCCCC2)cc1OC ZINC000032623499 556453346 /nfs/dbraw/zinc/45/33/46/556453346.db2.gz LULVHTPNKBCULM-QHCPKHFHSA-N 1 1 463.578 4.933 50 0 JJAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[NH+]3CCC(C(=O)N4CCCCC4)CC3)ccc21 ZINC000032665159 556466517 /nfs/dbraw/zinc/46/65/17/556466517.db2.gz QBIFOUANEXOVMV-HXUWFJFHSA-N 1 1 460.622 4.866 50 0 JJAAMO O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000036383834 563128350 /nfs/dbraw/zinc/12/83/50/563128350.db2.gz BXSFOIVYQMOQAG-UHFFFAOYSA-N 1 1 492.623 4.670 50 0 JJAAMO COc1ccc(-c2coc3cc(OCC[NH+]4CCN(c5ccccc5)CC4)ccc3c2=O)cc1 ZINC000054307053 569589823 /nfs/dbraw/zinc/58/98/23/569589823.db2.gz UNVJXMQZFRURQV-UHFFFAOYSA-N 1 1 456.542 4.670 50 0 biogenic JJAAMO O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000056942118 569592616 /nfs/dbraw/zinc/59/26/16/569592616.db2.gz KJIIRLQCSMYNRD-UHFFFAOYSA-N 1 1 476.524 4.786 50 0 JJAAMO O=C(COc1ccccc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000057254366 569594952 /nfs/dbraw/zinc/59/49/52/569594952.db2.gz ADJWEBDTEZVJMI-UHFFFAOYSA-N 1 1 495.048 4.554 50 0 JJAAMO COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000057312242 569596257 /nfs/dbraw/zinc/59/62/57/569596257.db2.gz JTNXFYXJRQTFPV-SANMLTNESA-N 1 1 473.573 4.740 50 0 JJAAMO O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057318502 569598528 /nfs/dbraw/zinc/59/85/28/569598528.db2.gz KPLWDYIVIWWSHC-VWLOTQADSA-N 1 1 460.647 4.846 50 0 JJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000057363148 569599405 /nfs/dbraw/zinc/59/94/05/569599405.db2.gz MTLPZSPBILTJFM-UHFFFAOYSA-N 1 1 451.452 4.604 50 0 JJAAMO CCn1c(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000032986419 569608885 /nfs/dbraw/zinc/60/88/85/569608885.db2.gz FVGAWRGZQVBUIE-GOSISDBHSA-N 1 1 490.460 4.755 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000061999520 569610068 /nfs/dbraw/zinc/61/00/68/569610068.db2.gz NWZOJQQDEHLRJJ-RMDVPPNSSA-N 1 1 491.591 4.626 50 0 biogenic JJAAMO O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000062602750 569612867 /nfs/dbraw/zinc/61/28/67/569612867.db2.gz LZIVPBQFWNKEQT-UHFFFAOYSA-N 1 1 499.590 4.510 50 0 JJAAMO CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2)[nH+]c(C)n1 ZINC000033326881 569624141 /nfs/dbraw/zinc/62/41/41/569624141.db2.gz MSXSJYANAVZGGC-UHFFFAOYSA-N 1 1 476.002 4.838 50 0 JJAAMO COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)c1C ZINC000064802121 569631940 /nfs/dbraw/zinc/63/19/40/569631940.db2.gz XXJCQQLYGCZXCU-UHFFFAOYSA-N 1 1 467.595 4.555 50 0 JJAAMO CC[NH+]1CCN(C(=O)Cc2ccc(N(Cc3ccccc3OC)C(=O)c3ccc(C)cc3)cc2)CC1 ZINC000034675495 569641115 /nfs/dbraw/zinc/64/11/15/569641115.db2.gz PNBJPECKXYOIQI-UHFFFAOYSA-N 1 1 485.628 4.557 50 0 JJAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699231 569648519 /nfs/dbraw/zinc/64/85/19/569648519.db2.gz WSLXXLUDWZREKZ-SQHAQQRYSA-N 1 1 459.634 4.934 50 0 JJAAMO O=C(CCC1CCCC1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787227 569659505 /nfs/dbraw/zinc/65/95/05/569659505.db2.gz ILQOGVNKMVJVFQ-NDEPHWFRSA-N 1 1 479.690 4.727 50 0 JJAAMO O=C(CCC1CCCC1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787227 569659506 /nfs/dbraw/zinc/65/95/06/569659506.db2.gz ILQOGVNKMVJVFQ-NDEPHWFRSA-N 1 1 479.690 4.727 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787906 569659975 /nfs/dbraw/zinc/65/99/75/569659975.db2.gz AOMJWVAGIGMUBI-HHHXNRCGSA-N 1 1 491.632 4.518 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787906 569659976 /nfs/dbraw/zinc/65/99/76/569659976.db2.gz AOMJWVAGIGMUBI-HHHXNRCGSA-N 1 1 491.632 4.518 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829615 569663196 /nfs/dbraw/zinc/66/31/96/569663196.db2.gz AKMVLMWILAJSSI-PIKZIKFNSA-N 1 1 487.669 4.631 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829615 569663198 /nfs/dbraw/zinc/66/31/98/569663198.db2.gz AKMVLMWILAJSSI-PIKZIKFNSA-N 1 1 487.669 4.631 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034830029 569663533 /nfs/dbraw/zinc/66/35/33/569663533.db2.gz SOJLYDRIXLJTLE-MUUNZHRXSA-N 1 1 487.669 4.633 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000034830378 569663843 /nfs/dbraw/zinc/66/38/43/569663843.db2.gz VSGIDOHNUYLSLK-WXVAWEFUSA-N 1 1 487.669 4.767 50 0 JJAAMO CC[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000065551082 569675735 /nfs/dbraw/zinc/67/57/35/569675735.db2.gz DUEXRKGGOCEEAD-UHFFFAOYSA-N 1 1 461.397 4.778 50 0 JJAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000067189422 569677221 /nfs/dbraw/zinc/67/72/21/569677221.db2.gz GMFSZWFKYGVOPH-IWNAYQHTSA-N 1 1 486.955 4.977 50 0 JJAAMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCCCC1 ZINC000069930253 569693929 /nfs/dbraw/zinc/69/39/29/569693929.db2.gz JTNMSAQRKXPJKW-OAQYLSRUSA-N 1 1 487.641 4.630 50 0 JJAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427008 569693995 /nfs/dbraw/zinc/69/39/95/569693995.db2.gz NXWLUGVISBMZGM-QHCPKHFHSA-N 1 1 485.053 4.831 50 0 JJAAMO COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427008 569693996 /nfs/dbraw/zinc/69/39/96/569693996.db2.gz NXWLUGVISBMZGM-QHCPKHFHSA-N 1 1 485.053 4.831 50 0 JJAAMO C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454167 569697463 /nfs/dbraw/zinc/69/74/63/569697463.db2.gz RDHGANXPSWXRPB-OALUTQOASA-N 1 1 473.061 4.690 50 0 JJAAMO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000078718300 569706404 /nfs/dbraw/zinc/70/64/04/569706404.db2.gz DSYAOLSAEKBHNK-LJQANCHMSA-N 1 1 469.630 4.764 50 0 JJAAMO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191011 569707132 /nfs/dbraw/zinc/70/71/32/569707132.db2.gz PWZZUQJEROFAAU-GBXCKJPGSA-N 1 1 480.992 4.873 50 0 biogenic JJAAMO Cc1coc2c1cc1c(C)c(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc1c2C ZINC000079191484 569707143 /nfs/dbraw/zinc/70/71/43/569707143.db2.gz FUUUQBVLQWCMLJ-WMZHIEFXSA-N 1 1 450.579 4.778 50 0 biogenic JJAAMO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](CCc2c(C)nc3c(C)cccn3c2=O)C1 ZINC000085393511 569710148 /nfs/dbraw/zinc/71/01/48/569710148.db2.gz VROKNDJWKJXDEJ-UHFFFAOYSA-N 1 1 491.639 4.813 50 0 JJAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000085875156 569715661 /nfs/dbraw/zinc/71/56/61/569715661.db2.gz MKFJWLKOAYMVFQ-QFBILLFUSA-N 1 1 461.393 4.635 50 0 biogenic JJAAMO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871987 569719060 /nfs/dbraw/zinc/71/90/60/569719060.db2.gz FGZPFPWWKCLIKZ-XUZZJYLKSA-N 1 1 475.530 4.766 50 0 JJAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908082 569723735 /nfs/dbraw/zinc/72/37/35/569723735.db2.gz BFKXPQQAJYTDHD-LADGPHEKSA-N 1 1 475.530 4.766 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000095538757 569726328 /nfs/dbraw/zinc/72/63/28/569726328.db2.gz NCKFRVLRCMRYOA-UHFFFAOYSA-N 1 1 489.567 4.665 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000035911138 569726398 /nfs/dbraw/zinc/72/63/98/569726398.db2.gz BJBXHKUAPONEOC-AOYPEHQESA-N 1 1 496.076 4.632 50 0 JJAAMO CC(C)CC[N@H+]1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925675 569728973 /nfs/dbraw/zinc/72/89/73/569728973.db2.gz CERHOCJGDJWFLJ-UHFFFAOYSA-N 1 1 454.622 4.965 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2cccc(C)c2)CC1 ZINC000095925493 569730097 /nfs/dbraw/zinc/73/00/97/569730097.db2.gz GBDCUBKFTFOWDF-UHFFFAOYSA-N 1 1 487.629 4.906 50 0 JJAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096100758 569732677 /nfs/dbraw/zinc/73/26/77/569732677.db2.gz XWEUSHZGWNGWNY-GOSISDBHSA-N 1 1 470.392 4.570 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211353 569738370 /nfs/dbraw/zinc/73/83/70/569738370.db2.gz GMUKHSZZUWCISN-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2C)cc1 ZINC000096211353 569738371 /nfs/dbraw/zinc/73/83/71/569738371.db2.gz GMUKHSZZUWCISN-MMTVBGGISA-N 1 1 474.601 4.939 50 0 JJAAMO CC[C@H](NC(=O)Cc1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048331 569755938 /nfs/dbraw/zinc/75/59/38/569755938.db2.gz UULIMZKPEUSURA-SVEHJYQDSA-N 1 1 458.602 4.941 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(C)c1 ZINC000036312170 569760177 /nfs/dbraw/zinc/76/01/77/569760177.db2.gz CENOHAOVKQPLQZ-HXUWFJFHSA-N 1 1 464.585 4.982 50 0 JJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036313875 569761365 /nfs/dbraw/zinc/76/13/65/569761365.db2.gz ZRBFXINUNJOITE-HSZRJFAPSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036313875 569761367 /nfs/dbraw/zinc/76/13/67/569761367.db2.gz ZRBFXINUNJOITE-HSZRJFAPSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313974 569761682 /nfs/dbraw/zinc/76/16/82/569761682.db2.gz BEKZBEUGTBBOBI-QHCPKHFHSA-N 1 1 485.600 4.645 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316183 569762337 /nfs/dbraw/zinc/76/23/37/569762337.db2.gz NAAAXKDGLFLZIZ-NRFANRHFSA-N 1 1 453.558 4.769 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316467 569762995 /nfs/dbraw/zinc/76/29/95/569762995.db2.gz UXPVYNFMKYBTOM-OAQYLSRUSA-N 1 1 455.574 4.974 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)cc1C ZINC000036341475 569764483 /nfs/dbraw/zinc/76/44/83/569764483.db2.gz UIAWOHJHYDZTCU-LJAQVGFWSA-N 1 1 484.619 4.938 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036342082 569765256 /nfs/dbraw/zinc/76/52/56/569765256.db2.gz DTFPJQPWCQVBCM-QHCPKHFHSA-N 1 1 453.558 4.862 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036342082 569765257 /nfs/dbraw/zinc/76/52/57/569765257.db2.gz DTFPJQPWCQVBCM-QHCPKHFHSA-N 1 1 453.558 4.862 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036342042 569765391 /nfs/dbraw/zinc/76/53/91/569765391.db2.gz UIVGOZKRDXSJHR-DEOSSOPVSA-N 1 1 485.600 4.594 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036342042 569765392 /nfs/dbraw/zinc/76/53/92/569765392.db2.gz UIVGOZKRDXSJHR-DEOSSOPVSA-N 1 1 485.600 4.594 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000036343215 569766288 /nfs/dbraw/zinc/76/62/88/569766288.db2.gz NKCGNOWARORXHG-XMMPIXPASA-N 1 1 453.558 4.785 50 0 JJAAMO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343435 569766374 /nfs/dbraw/zinc/76/63/74/569766374.db2.gz CAPZRAODMBWDIP-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036343435 569766375 /nfs/dbraw/zinc/76/63/75/569766375.db2.gz CAPZRAODMBWDIP-SANMLTNESA-N 1 1 457.574 4.822 50 0 JJAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344086 569766784 /nfs/dbraw/zinc/76/67/84/569766784.db2.gz AJUCWNUKMFWQNH-PMERELPUSA-N 1 1 496.655 4.889 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344191 569766889 /nfs/dbraw/zinc/76/68/89/569766889.db2.gz GXTGRWQTMSIWJV-RUZDIDTESA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000036344191 569766890 /nfs/dbraw/zinc/76/68/90/569766890.db2.gz GXTGRWQTMSIWJV-RUZDIDTESA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000036344235 569766906 /nfs/dbraw/zinc/76/69/06/569766906.db2.gz IDLXGHYYISGLEM-HSZRJFAPSA-N 1 1 455.986 4.767 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344534 569767018 /nfs/dbraw/zinc/76/70/18/569767018.db2.gz OKTVYXRGONIEPR-SQHAQQRYSA-N 1 1 475.633 4.873 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344534 569767019 /nfs/dbraw/zinc/76/70/19/569767019.db2.gz OKTVYXRGONIEPR-SQHAQQRYSA-N 1 1 475.633 4.873 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1C ZINC000036344701 569767278 /nfs/dbraw/zinc/76/72/78/569767278.db2.gz XSUIHIBKQDVHPU-GDLZYMKVSA-N 1 1 484.619 4.938 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344940 569767388 /nfs/dbraw/zinc/76/73/88/569767388.db2.gz MQDGXNBDFMMTPG-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344940 569767389 /nfs/dbraw/zinc/76/73/89/569767389.db2.gz MQDGXNBDFMMTPG-AREMUKBSSA-N 1 1 457.574 4.822 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000036345025 569767617 /nfs/dbraw/zinc/76/76/17/569767617.db2.gz MRXIGMUHGWLFBL-MHZLTWQESA-N 1 1 473.020 4.836 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345049 569767710 /nfs/dbraw/zinc/76/77/10/569767710.db2.gz KFMVWJRCNDAJBJ-QPPBQGQZSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC000036345049 569767711 /nfs/dbraw/zinc/76/77/11/569767711.db2.gz KFMVWJRCNDAJBJ-QPPBQGQZSA-N 1 1 467.997 4.601 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346155 569769071 /nfs/dbraw/zinc/76/90/71/569769071.db2.gz JWSAAXPHETUYGF-DEOSSOPVSA-N 1 1 481.637 4.906 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)(C)C ZINC000036346155 569769072 /nfs/dbraw/zinc/76/90/72/569769072.db2.gz JWSAAXPHETUYGF-DEOSSOPVSA-N 1 1 481.637 4.906 50 0 JJAAMO COc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCN(c3ccccc3F)CC2)cc1 ZINC000036370365 569773378 /nfs/dbraw/zinc/77/33/78/569773378.db2.gz YAEJISPLQSRPCS-UHFFFAOYSA-N 1 1 471.532 4.949 50 0 JJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000036628207 569779053 /nfs/dbraw/zinc/77/90/53/569779053.db2.gz ARTTXJCJKONVPJ-UHFFFAOYSA-N 1 1 463.541 4.951 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CC[N@H+]1CCCC[C@H]1C)C3=O ZINC000037006510 569780984 /nfs/dbraw/zinc/78/09/84/569780984.db2.gz DFZWUBQPEXQPLL-PBBNMVCDSA-N 1 1 494.680 4.578 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCN(CC(C)C)c2nc(-c3ccccc3)nc3cc(Cl)ccc32)CC1 ZINC000037384715 569785847 /nfs/dbraw/zinc/78/58/47/569785847.db2.gz FCFGHFIBWCGBGW-UHFFFAOYSA-N 1 1 480.056 4.967 50 0 JJAAMO COc1cccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c1OC ZINC000038546522 569803284 /nfs/dbraw/zinc/80/32/84/569803284.db2.gz CNEXOOCFVHHAOR-XMMPIXPASA-N 1 1 495.645 4.826 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccsc1)Sc1ccccc1-2 ZINC000039358026 569809479 /nfs/dbraw/zinc/80/94/79/569809479.db2.gz CBMZHJDZUYEJHJ-NTKDMRAZSA-N 1 1 479.671 4.811 50 0 JJAAMO Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)[C@@H]2c2cccs2)cc1 ZINC000039563901 569810803 /nfs/dbraw/zinc/81/08/03/569810803.db2.gz XEPAUBYDQBQTST-WIOPSUGQSA-N 1 1 453.652 4.730 50 0 JJAAMO CCCN(CC(=O)N(C)C)c1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000048313221 569845661 /nfs/dbraw/zinc/84/56/61/569845661.db2.gz SJLNWHJYDGOHTN-UHFFFAOYSA-N 1 1 457.669 4.710 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982896 569847938 /nfs/dbraw/zinc/84/79/38/569847938.db2.gz HQCFRKHXPZRMPJ-FGZHOGPDSA-N 1 1 451.394 4.775 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983855 569848159 /nfs/dbraw/zinc/84/81/59/569848159.db2.gz YFVMFKBQGNUKNP-FYYLOGMGSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983855 569848160 /nfs/dbraw/zinc/84/81/60/569848160.db2.gz YFVMFKBQGNUKNP-FYYLOGMGSA-N 1 1 468.956 4.914 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105009650 569850401 /nfs/dbraw/zinc/85/04/01/569850401.db2.gz OMNLSMZGSICYPD-ATIYNZHBSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105009650 569850402 /nfs/dbraw/zinc/85/04/02/569850402.db2.gz OMNLSMZGSICYPD-ATIYNZHBSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105009695 569850673 /nfs/dbraw/zinc/85/06/73/569850673.db2.gz JALBQOLKFRZUGD-NBGIEHNGSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105009695 569850675 /nfs/dbraw/zinc/85/06/75/569850675.db2.gz JALBQOLKFRZUGD-NBGIEHNGSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011695 569850916 /nfs/dbraw/zinc/85/09/16/569850916.db2.gz OKTVYXRGONIEPR-SHQCIBLASA-N 1 1 475.633 4.873 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011695 569850917 /nfs/dbraw/zinc/85/09/17/569850917.db2.gz OKTVYXRGONIEPR-SHQCIBLASA-N 1 1 475.633 4.873 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010991 569850937 /nfs/dbraw/zinc/85/09/37/569850937.db2.gz KFMVWJRCNDAJBJ-ZJSXRUAMSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000105010991 569850938 /nfs/dbraw/zinc/85/09/38/569850938.db2.gz KFMVWJRCNDAJBJ-ZJSXRUAMSA-N 1 1 467.997 4.601 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105010669 569850996 /nfs/dbraw/zinc/85/09/96/569850996.db2.gz CEQOOMQQHNFNRR-BKMJKUGQSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105010669 569850998 /nfs/dbraw/zinc/85/09/98/569850998.db2.gz CEQOOMQQHNFNRR-BKMJKUGQSA-N 1 1 461.606 4.565 50 0 JJAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](C[C@@H](O)Cc4ccccc4)CC3)nc2)cc1 ZINC000105032368 569851437 /nfs/dbraw/zinc/85/14/37/569851437.db2.gz KDGZQBGISBPHMU-MHZLTWQESA-N 1 1 486.660 4.747 50 0 JJAAMO C[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868457 569853507 /nfs/dbraw/zinc/85/35/07/569853507.db2.gz KIXILYUQJBABJZ-RTBURBONSA-N 1 1 473.061 4.548 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677151 569868553 /nfs/dbraw/zinc/86/85/53/569868553.db2.gz XOYBHBJCMBJACM-NOZRDPDXSA-N 1 1 450.966 4.775 50 0 JJAAMO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169677751 569868903 /nfs/dbraw/zinc/86/89/03/569868903.db2.gz YPEURFYYLXTQCU-UPVQGACJSA-N 1 1 473.539 4.958 50 0 JJAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677740 569868913 /nfs/dbraw/zinc/86/89/13/569868913.db2.gz KXICAUUNWVOIRH-NOZRDPDXSA-N 1 1 471.567 4.670 50 0 JJAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679605 569869880 /nfs/dbraw/zinc/86/98/80/569869880.db2.gz OLEFIVVIZBOOFM-UPVQGACJSA-N 1 1 487.497 4.617 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000169679917 569870137 /nfs/dbraw/zinc/87/01/37/569870137.db2.gz DGCCVKRRKORTGX-RDGATRHJSA-N 1 1 484.980 4.515 50 0 JJAAMO O=C(CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000227144415 570039986 /nfs/dbraw/zinc/03/99/86/570039986.db2.gz HKWRJKPQFPTRMR-UHFFFAOYSA-N 1 1 456.586 4.828 50 0 JJAAMO O=C(CCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000227144415 570039987 /nfs/dbraw/zinc/03/99/87/570039987.db2.gz HKWRJKPQFPTRMR-UHFFFAOYSA-N 1 1 456.586 4.828 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245279095 570061311 /nfs/dbraw/zinc/06/13/11/570061311.db2.gz CAZSQENHHXTWGH-FYYLOGMGSA-N 1 1 461.002 4.520 50 0 JJAAMO CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000245276899 570061411 /nfs/dbraw/zinc/06/14/11/570061411.db2.gz ZGYBONLZZLLUEJ-QUCCMNQESA-N 1 1 454.640 4.642 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280359 570061966 /nfs/dbraw/zinc/06/19/66/570061966.db2.gz OASXBLJLLFEGDY-UKILVPOCSA-N 1 1 479.621 4.566 50 0 JJAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245281394 570062321 /nfs/dbraw/zinc/06/23/21/570062321.db2.gz YESMBIJZLBPBSM-LADGPHEKSA-N 1 1 453.558 4.864 50 0 JJAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000245281394 570062322 /nfs/dbraw/zinc/06/23/22/570062322.db2.gz YESMBIJZLBPBSM-LADGPHEKSA-N 1 1 453.558 4.864 50 0 JJAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)CC ZINC000245326081 570064494 /nfs/dbraw/zinc/06/44/94/570064494.db2.gz DBNWJYYACMNNQO-GREBRCKQSA-N 1 1 462.631 4.511 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245329222 570066105 /nfs/dbraw/zinc/06/61/05/570066105.db2.gz RNSDBVZTVJTLIY-AOYPEHQESA-N 1 1 479.621 4.660 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245329222 570066107 /nfs/dbraw/zinc/06/61/07/570066107.db2.gz RNSDBVZTVJTLIY-AOYPEHQESA-N 1 1 479.621 4.660 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000245330434 570066828 /nfs/dbraw/zinc/06/68/28/570066828.db2.gz YNUDKDOMOIZYGL-FCHUYYIVSA-N 1 1 467.683 4.615 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccc(C)c4)CC3)nc3ccccc32)cc1 ZINC000247894339 570070737 /nfs/dbraw/zinc/07/07/37/570070737.db2.gz GRTARWMEJLETAR-UHFFFAOYSA-N 1 1 482.628 4.930 50 0 JJAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N(C(C)C)C(C)C)CC3)nc3ccccc32)cc1 ZINC000247899968 570070788 /nfs/dbraw/zinc/07/07/88/570070788.db2.gz QEKUCCUSTRFWHG-UHFFFAOYSA-N 1 1 462.638 4.951 50 0 JJAAMO Cc1cccc(C)c1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000247976124 570071935 /nfs/dbraw/zinc/07/19/35/570071935.db2.gz FUENJZADUZZSTB-UHFFFAOYSA-N 1 1 473.665 4.795 50 0 JJAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1C ZINC000247983427 570072031 /nfs/dbraw/zinc/07/20/31/570072031.db2.gz HVGWNACFHCAUSV-DEOSSOPVSA-N 1 1 473.665 4.795 50 0 JJAAMO CCCN(C(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)CC1)C(C)C ZINC000248007139 570072702 /nfs/dbraw/zinc/07/27/02/570072702.db2.gz PUCXJDCOLGGODA-UHFFFAOYSA-N 1 1 462.638 4.952 50 0 JJAAMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248012722 570072720 /nfs/dbraw/zinc/07/27/20/570072720.db2.gz RVQWCARPDQPFEX-QGZVFWFLSA-N 1 1 455.400 4.526 50 0 JJAAMO CCCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248025610 570073091 /nfs/dbraw/zinc/07/30/91/570073091.db2.gz VYUFBDVZTHHHQK-UHFFFAOYSA-N 1 1 455.400 4.526 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)nc3ccccc32)cc1 ZINC000248125227 570074813 /nfs/dbraw/zinc/07/48/13/570074813.db2.gz WNXQXHWQJYETPV-VWLOTQADSA-N 1 1 482.628 4.930 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)[C@H]1c1cccs1 ZINC000248225017 570076265 /nfs/dbraw/zinc/07/62/65/570076265.db2.gz IXLVEQSAEAXYGF-VEXUSMLFSA-N 1 1 453.652 4.675 50 0 JJAAMO CCN(CC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248252911 570076909 /nfs/dbraw/zinc/07/69/09/570076909.db2.gz MZQUJDAJPYPSEI-UHFFFAOYSA-N 1 1 469.427 4.868 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000248256170 570076974 /nfs/dbraw/zinc/07/69/74/570076974.db2.gz KXPQUHHNPNEABT-VPBXCIAMSA-N 1 1 450.538 4.970 50 0 JJAAMO CCCCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000248273854 570077211 /nfs/dbraw/zinc/07/72/11/570077211.db2.gz XJUSFFHBGJZKAQ-HSZRJFAPSA-N 1 1 462.638 4.954 50 0 JJAAMO Cc1ccc2nc([C@@H](C)[NH2+]C3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)[nH]c2c1 ZINC000299802311 570177606 /nfs/dbraw/zinc/17/76/06/570177606.db2.gz YRFXKSAVVKKHLO-LJQANCHMSA-N 1 1 454.578 4.838 50 0 JJAAMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000019632618 341977390 /nfs/dbraw/zinc/97/73/90/341977390.db2.gz KTUFNOKKBVMGRW-UHFFFAOYSA-N 1 1 493.615 4.590 50 0 aggregator,fda JJAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OCC)cc2)CC1 ZINC000001447747 194122983 /nfs/dbraw/zinc/12/29/83/194122983.db2.gz YRKMUVNTYCMGOB-UHFFFAOYSA-N 1 1 471.561 4.765 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757258 194394851 /nfs/dbraw/zinc/39/48/51/194394851.db2.gz AKOLLWXEYMJPOJ-AOYPEHQESA-N 1 1 469.601 4.557 50 0 JJAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCc4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000009933889 195026042 /nfs/dbraw/zinc/02/60/42/195026042.db2.gz AOIHFKCYHGRGKH-AREMUKBSSA-N 1 1 492.616 4.629 50 0 JJAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)o1 ZINC000012750624 195105405 /nfs/dbraw/zinc/10/54/05/195105405.db2.gz KPWVQJLIABSJGL-OAHLLOKOSA-N 1 1 450.486 4.673 50 0 JJAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)o1 ZINC000012750624 195105408 /nfs/dbraw/zinc/10/54/08/195105408.db2.gz KPWVQJLIABSJGL-OAHLLOKOSA-N 1 1 450.486 4.673 50 0 JJAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1Cl ZINC000012788349 195129697 /nfs/dbraw/zinc/12/96/97/195129697.db2.gz SJONNZVWNJEBMX-DEOSSOPVSA-N 1 1 470.013 4.753 50 0 JJAAMO Cc1ccc(NC(=O)Cc2nc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C(C)C)cs2)cc1 ZINC000012798602 195137955 /nfs/dbraw/zinc/13/79/55/195137955.db2.gz NSOZAYOUPZEUSY-VWLOTQADSA-N 1 1 451.592 4.891 50 0 JJAAMO Cc1ccc([C@H]([NH2+]CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)c2cccs2)cc1 ZINC000012807845 195142926 /nfs/dbraw/zinc/14/29/26/195142926.db2.gz AJWXUWUMVBNYAC-SANMLTNESA-N 1 1 473.598 4.922 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000012815271 195146600 /nfs/dbraw/zinc/14/66/00/195146600.db2.gz KUMVCZJGQYHKEK-DEOSSOPVSA-N 1 1 487.625 4.923 50 0 JJAAMO CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4C[C@H]5CC[C@@H](C4)[N@@H+]5C)cc3n2)cc1 ZINC000020614051 195186268 /nfs/dbraw/zinc/18/62/68/195186268.db2.gz IQFVCEPMDCIJEB-YQQQUEKLSA-N 1 1 471.527 4.894 50 0 JJAAMO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000020734090 195211856 /nfs/dbraw/zinc/21/18/56/195211856.db2.gz KQEHRABQPQLMIM-RBHPVMCRSA-N 1 1 479.646 4.878 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1ccc(OC)cc1)S2 ZINC000020734048 195211862 /nfs/dbraw/zinc/21/18/62/195211862.db2.gz GRTRZCIZYHKVTP-JJIBRWJFSA-N 1 1 467.635 4.657 50 0 JJAAMO Cc1ccc2c(CC(=O)NCC[N@H+]3Cc4ccccc4O[C@H](c4ccccc4F)C3)cc(=O)oc2c1 ZINC000020905464 195245087 /nfs/dbraw/zinc/24/50/87/195245087.db2.gz ZDUZWAPMYHSPAC-MHZLTWQESA-N 1 1 486.543 4.535 50 0 JJAAMO Cc1ccc2c(CC(=O)NCC[N@@H+]3Cc4ccccc4O[C@H](c4ccccc4F)C3)cc(=O)oc2c1 ZINC000020905464 195245090 /nfs/dbraw/zinc/24/50/90/195245090.db2.gz ZDUZWAPMYHSPAC-MHZLTWQESA-N 1 1 486.543 4.535 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000020861824 195233647 /nfs/dbraw/zinc/23/36/47/195233647.db2.gz SKVKAMZWQCZCPT-VWLOTQADSA-N 1 1 473.665 4.518 50 0 JJAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931391 195251415 /nfs/dbraw/zinc/25/14/15/195251415.db2.gz NBSFQHSSYALKBP-UHFFFAOYSA-N 1 1 471.667 4.682 50 0 JJAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]n2)c1 ZINC000021017216 195267063 /nfs/dbraw/zinc/26/70/63/195267063.db2.gz IXYVSTRWQDJXCA-UHFFFAOYSA-N 1 1 452.558 4.633 50 0 JJAAMO Cc1cccc(C[N@@H+]2CC=C(c3noc(CCC(=O)NCCc4ccc(Cl)cc4)n3)CC2)c1 ZINC000021103359 195276781 /nfs/dbraw/zinc/27/67/81/195276781.db2.gz RFWRDNVAXJPWQV-UHFFFAOYSA-N 1 1 464.997 4.612 50 0 JJAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)C2)cc1 ZINC000021103416 195276801 /nfs/dbraw/zinc/27/68/01/195276801.db2.gz RHKKGSDONBQDAG-OAQYLSRUSA-N 1 1 494.039 4.553 50 0 JJAAMO Fc1ccccc1[C@@H](NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nnc(-c2ccccc2)o1 ZINC000021538380 195312559 /nfs/dbraw/zinc/31/25/59/195312559.db2.gz HJQCKVPVUAIKPL-AREMUKBSSA-N 1 1 489.570 4.906 50 0 JJAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccco2)CC1 ZINC000021796641 195322385 /nfs/dbraw/zinc/32/23/85/195322385.db2.gz BLOUZPLPIGBMNA-UHFFFAOYSA-N 1 1 463.541 4.951 50 0 JJAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[NH+]3CCN(c4cccc(C)c4C)CC3)c2c1 ZINC000021934476 195335777 /nfs/dbraw/zinc/33/57/77/195335777.db2.gz JTMNYYUEJFMZFV-UHFFFAOYSA-N 1 1 479.628 4.774 50 0 JJAAMO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000058139735 195366778 /nfs/dbraw/zinc/36/67/78/195366778.db2.gz NUNLMDXYOUXMRN-GOSISDBHSA-N 1 1 470.639 4.690 50 0 JJAAMO CCOC(=O)c1sc2nc(C)nc(N[C@H](C[N@@H+](C)C3CCN(C)CC3)c3ccccc3)c2c1C ZINC000058160025 195368346 /nfs/dbraw/zinc/36/83/46/195368346.db2.gz ZWKCMAIJESXFGB-OAQYLSRUSA-N 1 1 481.666 4.664 50 0 JJAAMO CCOC(=O)c1sc2nc(C)nc(N[C@H](CN(C)C3CC[NH+](C)CC3)c3ccccc3)c2c1C ZINC000058160025 195368349 /nfs/dbraw/zinc/36/83/49/195368349.db2.gz ZWKCMAIJESXFGB-OAQYLSRUSA-N 1 1 481.666 4.664 50 0 JJAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@H](C)O1 ZINC000058162837 195369421 /nfs/dbraw/zinc/36/94/21/195369421.db2.gz USRYDXBWELCXLL-ROKPMTFOSA-N 1 1 481.641 4.740 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CC(C)C)ccc3n2Cc2cccc(C)c2)CC1 ZINC000095550675 129911869 /nfs/dbraw/zinc/91/18/69/129911869.db2.gz UNPQHJDVGZISDV-UHFFFAOYSA-N 1 1 460.622 4.760 50 0 JJAAMO CC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000016712872 519594768 /nfs/dbraw/zinc/59/47/68/519594768.db2.gz NSPVZPDMKONDRM-UHFFFAOYSA-N 1 1 465.479 4.775 50 0 JJAAMO CC(C)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036206124 519718649 /nfs/dbraw/zinc/71/86/49/519718649.db2.gz JFGLUXMOVLYNAN-SFHVURJKSA-N 1 1 478.058 4.939 50 0 JJAAMO CC(C)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](O)COC(C)(C)C ZINC000036206124 519718650 /nfs/dbraw/zinc/71/86/50/519718650.db2.gz JFGLUXMOVLYNAN-SFHVURJKSA-N 1 1 478.058 4.939 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307731 519880790 /nfs/dbraw/zinc/88/07/90/519880790.db2.gz HKQQXNUHUKYEOK-QFIPXVFZSA-N 1 1 483.584 4.935 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306540 520090050 /nfs/dbraw/zinc/09/00/50/520090050.db2.gz OASXBLJLLFEGDY-ZCYQVOJMSA-N 1 1 479.621 4.566 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303361 520093848 /nfs/dbraw/zinc/09/38/48/520093848.db2.gz ZZZYOUBIWDVHDA-QFIPXVFZSA-N 1 1 495.620 4.606 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303361 520093854 /nfs/dbraw/zinc/09/38/54/520093854.db2.gz ZZZYOUBIWDVHDA-QFIPXVFZSA-N 1 1 495.620 4.606 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308198 520094653 /nfs/dbraw/zinc/09/46/53/520094653.db2.gz HJJFZBBRUZNOSE-QFIPXVFZSA-N 1 1 461.562 4.872 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308198 520094659 /nfs/dbraw/zinc/09/46/59/520094659.db2.gz HJJFZBBRUZNOSE-QFIPXVFZSA-N 1 1 461.562 4.872 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036303339 520095538 /nfs/dbraw/zinc/09/55/38/520095538.db2.gz UJQVRBFYZCWNHZ-ZCYQVOJMSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036303339 520095544 /nfs/dbraw/zinc/09/55/44/520095544.db2.gz UJQVRBFYZCWNHZ-ZCYQVOJMSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307352 520153860 /nfs/dbraw/zinc/15/38/60/520153860.db2.gz XKHAFMFFBDUQOW-JOCHJYFZSA-N 1 1 453.558 4.628 50 0 JJAAMO CCOC(=O)C1=C(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412501 520520285 /nfs/dbraw/zinc/52/02/85/520520285.db2.gz XDRMFTDUKASQOT-YFGCWATCSA-N 1 1 465.638 4.669 50 0 JJAAMO CCOC(=O)C1=C(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412495 520520390 /nfs/dbraw/zinc/52/03/90/520520390.db2.gz XDRMFTDUKASQOT-DQKMOBTKSA-N 1 1 465.638 4.669 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036208300 520938427 /nfs/dbraw/zinc/93/84/27/520938427.db2.gz CEJAWFGBQQXGJQ-JOCHJYFZSA-N 1 1 479.577 4.954 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036208300 520938437 /nfs/dbraw/zinc/93/84/37/520938437.db2.gz CEJAWFGBQQXGJQ-JOCHJYFZSA-N 1 1 479.577 4.954 50 0 JJAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000033331928 520951153 /nfs/dbraw/zinc/95/11/53/520951153.db2.gz YHHRBODFWNJDHM-BJFQTCHOSA-N 1 1 490.648 4.666 50 0 JJAAMO CCCC[C@H](CC)CNC(=O)C1CC[NH+](Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000012467273 521174851 /nfs/dbraw/zinc/17/48/51/521174851.db2.gz QRPGLNLOEKKKDW-INIZCTEOSA-N 1 1 455.437 4.708 50 0 JJAAMO CCCCn1c(C[NH2+][C@@H](c2cccs2)c2ccc(C)cc2)nc2cc(S(N)(=O)=O)ccc21 ZINC000012507724 521364385 /nfs/dbraw/zinc/36/43/85/521364385.db2.gz GNMJNFZDPAUICM-XMMPIXPASA-N 1 1 468.648 4.733 50 0 JJAAMO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(C)cc3[nH]1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012519926 521417200 /nfs/dbraw/zinc/41/72/00/521417200.db2.gz YHFRILFYNGZTQV-UHFFFAOYSA-N 1 1 486.663 5.000 50 0 JJAAMO CCOC(=O)c1c2cc(OC)ccc2oc1C[NH+]1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000012410658 521420718 /nfs/dbraw/zinc/42/07/18/521420718.db2.gz YTGLVYQBDDZDRZ-UHFFFAOYSA-N 1 1 465.546 4.715 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036303381 521680559 /nfs/dbraw/zinc/68/05/59/521680559.db2.gz XDTWSEDQOIKYNM-LJQANCHMSA-N 1 1 453.583 4.837 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(Nc3onc(-c4ccc(Cl)cc4)c3C(=O)OC)cc2)CC1 ZINC000046914197 521688936 /nfs/dbraw/zinc/68/89/36/521688936.db2.gz PGRJCGSLHVHGSD-UHFFFAOYSA-N 1 1 454.958 4.663 50 0 JJAAMO CCN1CC[NH+]([C@@H](C)CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000048302752 521691271 /nfs/dbraw/zinc/69/12/71/521691271.db2.gz HGJQRAHGGPYPSH-IBGZPJMESA-N 1 1 458.635 4.858 50 0 JJAAMO CCC[N@@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)c1ccccc1 ZINC000036206006 521694562 /nfs/dbraw/zinc/69/45/62/521694562.db2.gz LHWHDMFZRGVDFB-FQEVSTJZSA-N 1 1 479.602 4.614 50 0 JJAAMO CCC[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C[C@H](O)c1ccccc1 ZINC000036206006 521694568 /nfs/dbraw/zinc/69/45/68/521694568.db2.gz LHWHDMFZRGVDFB-FQEVSTJZSA-N 1 1 479.602 4.614 50 0 JJAAMO CCN1CC[NH+]([C@H](C)CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000048302753 521694630 /nfs/dbraw/zinc/69/46/30/521694630.db2.gz HGJQRAHGGPYPSH-LJQANCHMSA-N 1 1 458.635 4.858 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036302891 522638667 /nfs/dbraw/zinc/63/86/67/522638667.db2.gz ZZEZFKOWKQUJOA-DEOSSOPVSA-N 1 1 481.637 4.709 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036302891 522638679 /nfs/dbraw/zinc/63/86/79/522638679.db2.gz ZZEZFKOWKQUJOA-DEOSSOPVSA-N 1 1 481.637 4.709 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036303296 522639176 /nfs/dbraw/zinc/63/91/76/522639176.db2.gz BRMVVYWELJCZHS-QHCPKHFHSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@H](O)COC(C)(C)C ZINC000036303296 522639186 /nfs/dbraw/zinc/63/91/86/522639186.db2.gz BRMVVYWELJCZHS-QHCPKHFHSA-N 1 1 499.627 4.991 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303035 522639900 /nfs/dbraw/zinc/63/99/00/522639900.db2.gz JDNWSVYENMOHTJ-XMMPIXPASA-N 1 1 481.637 4.770 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000036303035 522639912 /nfs/dbraw/zinc/63/99/12/522639912.db2.gz JDNWSVYENMOHTJ-XMMPIXPASA-N 1 1 481.637 4.770 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036303283 522640514 /nfs/dbraw/zinc/64/05/14/522640514.db2.gz JVNWGMHXEWZVIB-DEOSSOPVSA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@H](O)COCC(C)C ZINC000036303283 522640524 /nfs/dbraw/zinc/64/05/24/522640524.db2.gz JVNWGMHXEWZVIB-DEOSSOPVSA-N 1 1 499.627 4.848 50 0 JJAAMO CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000036303356 522641011 /nfs/dbraw/zinc/64/10/11/522641011.db2.gz GPXGJBCCFHVVCX-GOSISDBHSA-N 1 1 451.567 4.589 50 0 JJAAMO CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000036303356 522641023 /nfs/dbraw/zinc/64/10/23/522641023.db2.gz GPXGJBCCFHVVCX-GOSISDBHSA-N 1 1 451.567 4.589 50 0 JJAAMO C[N@@H+](CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)Cc1ccccc1 ZINC000033035791 522861558 /nfs/dbraw/zinc/86/15/58/522861558.db2.gz GDVDOZCETXTVQG-SANMLTNESA-N 1 1 470.617 4.960 50 0 JJAAMO CCn1c(C)cc(O)c([C@H](c2ccccc2Cl)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696983 523141194 /nfs/dbraw/zinc/14/11/94/523141194.db2.gz CWYNYOJZPMZWHQ-DEOSSOPVSA-N 1 1 455.961 4.586 50 0 JJAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cn1 ZINC000014987249 523514309 /nfs/dbraw/zinc/51/43/09/523514309.db2.gz YURKWRAQBVZZTR-UHFFFAOYSA-N 1 1 486.538 4.755 50 0 JJAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016891077 523720288 /nfs/dbraw/zinc/72/02/88/523720288.db2.gz VVAICVLZSWPBOI-UUOWRZLLSA-N 1 1 453.583 4.578 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036306312 523735775 /nfs/dbraw/zinc/73/57/75/523735775.db2.gz LXDJMYZUNPBIEY-DEOSSOPVSA-N 1 1 481.637 4.670 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036307434 523736275 /nfs/dbraw/zinc/73/62/75/523736275.db2.gz GBFYJUXYCMUUOH-HSZRJFAPSA-N 1 1 485.600 4.500 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036302461 523738630 /nfs/dbraw/zinc/73/86/30/523738630.db2.gz LCZQNAKEHAAWOV-HSZRJFAPSA-N 1 1 497.636 4.606 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036302461 523738636 /nfs/dbraw/zinc/73/86/36/523738636.db2.gz LCZQNAKEHAAWOV-HSZRJFAPSA-N 1 1 497.636 4.606 50 0 JJAAMO CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033173598 523854743 /nfs/dbraw/zinc/85/47/43/523854743.db2.gz JOXVQOSEVFLOIC-UHFFFAOYSA-N 1 1 471.545 4.562 50 0 JJAAMO C[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(SC(F)F)cc3)n2)CC1 ZINC000016916072 523929705 /nfs/dbraw/zinc/92/97/05/523929705.db2.gz DGNRZRCLJPSOJM-UHFFFAOYSA-N 1 1 467.549 4.626 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1OC ZINC000036312169 523941244 /nfs/dbraw/zinc/94/12/44/523941244.db2.gz KKWBYUWVRGGUHB-IBGZPJMESA-N 1 1 480.584 4.682 50 0 JJAAMO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([N@H+]2CCc3ccccc3C2)C4)cc1 ZINC000014994170 523987328 /nfs/dbraw/zinc/98/73/28/523987328.db2.gz KROPBPDWETUOSO-JOCHJYFZSA-N 1 1 471.626 4.625 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255182 524100395 /nfs/dbraw/zinc/10/03/95/524100395.db2.gz GVZUABVLAPJXNV-OAQYLSRUSA-N 1 1 474.605 4.581 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000021811792 524102000 /nfs/dbraw/zinc/10/20/00/524102000.db2.gz BSQKNGLCBQSICK-PIKZIKFNSA-N 1 1 482.669 4.942 50 0 JJAAMO Cc1cccc(C(=O)Oc2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2C[NH+]2CCCCC2)c1 ZINC000005986994 524224789 /nfs/dbraw/zinc/22/47/89/524224789.db2.gz IVVOYPIBGXPBPJ-UHFFFAOYSA-N 1 1 489.597 4.761 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810712 524362267 /nfs/dbraw/zinc/36/22/67/524362267.db2.gz YCYPRRLTJWAMAW-VKIDHGPPSA-N 1 1 468.642 4.551 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000014994299 524473936 /nfs/dbraw/zinc/47/39/36/524473936.db2.gz XTQFBDDTVZEHDC-QPPBQGQZSA-N 1 1 472.614 4.623 50 0 JJAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014732988 524477020 /nfs/dbraw/zinc/47/70/20/524477020.db2.gz QBJVBNQHGUKDIL-RRPNLBNLSA-N 1 1 497.639 4.577 50 0 JJAAMO COc1ccccc1[C@H](c1c(NC(=O)c2ccco2)sc2c1CCCC2)N1CC[NH+](C)CC1 ZINC000038546643 524799620 /nfs/dbraw/zinc/79/96/20/524799620.db2.gz OJFGFNXVMNPOGA-XMMPIXPASA-N 1 1 465.619 4.818 50 0 JJAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249834 524970663 /nfs/dbraw/zinc/97/06/63/524970663.db2.gz AUJNWQSCQDPWFB-HSZRJFAPSA-N 1 1 477.605 4.745 50 0 JJAAMO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304488 524991647 /nfs/dbraw/zinc/99/16/47/524991647.db2.gz HKYHKXKRDNDRQO-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304488 524991655 /nfs/dbraw/zinc/99/16/55/524991655.db2.gz HKYHKXKRDNDRQO-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1ccccc1-c1csc2[nH]c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036205689 525009073 /nfs/dbraw/zinc/00/90/73/525009073.db2.gz BKPDPDPEJHSEPS-SFHVURJKSA-N 1 1 457.640 4.594 50 0 JJAAMO Cc1ccccc1-c1csc2[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C)nc(=O)c12 ZINC000036205689 525009083 /nfs/dbraw/zinc/00/90/83/525009083.db2.gz BKPDPDPEJHSEPS-SFHVURJKSA-N 1 1 457.640 4.594 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c(C)c1 ZINC000035456463 525100189 /nfs/dbraw/zinc/10/01/89/525100189.db2.gz ILPDBFRSFLNYFS-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c(C)c1 ZINC000035456463 525100197 /nfs/dbraw/zinc/10/01/97/525100197.db2.gz ILPDBFRSFLNYFS-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000036145932 525307098 /nfs/dbraw/zinc/30/70/98/525307098.db2.gz DRPLKBLLTJQTMB-DQEYMECFSA-N 1 1 462.565 4.878 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000036145932 525307104 /nfs/dbraw/zinc/30/71/04/525307104.db2.gz DRPLKBLLTJQTMB-DQEYMECFSA-N 1 1 462.565 4.878 50 0 JJAAMO Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCCC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000033141941 525480887 /nfs/dbraw/zinc/48/08/87/525480887.db2.gz LALVWAZTJMONPJ-UHFFFAOYSA-N 1 1 465.642 4.565 50 0 JJAAMO Cc1c(C(=O)N2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014994628 525568925 /nfs/dbraw/zinc/56/89/25/525568925.db2.gz MTQKULWDILWVFL-OAQYLSRUSA-N 1 1 497.709 4.611 50 0 JJAAMO COc1ccc2c(c1)O[C@H](C)C[N@H+](CCC(=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000014991274 525569800 /nfs/dbraw/zinc/56/98/00/525569800.db2.gz VBPXCVHWHAIKRX-NTKDMRAZSA-N 1 1 466.553 4.739 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205218 525784839 /nfs/dbraw/zinc/78/48/39/525784839.db2.gz ZODUMRYBTCPQMU-HXUWFJFHSA-N 1 1 471.667 4.902 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205218 525784850 /nfs/dbraw/zinc/78/48/50/525784850.db2.gz ZODUMRYBTCPQMU-HXUWFJFHSA-N 1 1 471.667 4.902 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)COCc4ccco4)nc(=O)c23)cc1 ZINC000036207631 525785848 /nfs/dbraw/zinc/78/58/48/525785848.db2.gz CCIKDTXEDAMPNJ-FQEVSTJZSA-N 1 1 481.618 4.589 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COCc4ccco4)nc(=O)c23)cc1 ZINC000036207631 525785854 /nfs/dbraw/zinc/78/58/54/525785854.db2.gz CCIKDTXEDAMPNJ-FQEVSTJZSA-N 1 1 481.618 4.589 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146342 525919962 /nfs/dbraw/zinc/91/99/62/525919962.db2.gz CAZSQENHHXTWGH-GGAORHGYSA-N 1 1 461.002 4.520 50 0 JJAAMO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000022698102 525980298 /nfs/dbraw/zinc/98/02/98/525980298.db2.gz PXLRGBVAROHVFL-GDLZYMKVSA-N 1 1 498.602 4.665 50 0 JJAAMO Cc1cc(C(=O)N2CCCC[C@H]2CCOc2ccc(C[N@@H+](C)Cc3cccs3)cc2)n(C)n1 ZINC000012279803 526244308 /nfs/dbraw/zinc/24/43/08/526244308.db2.gz XJFWXESSSVNBTJ-QFIPXVFZSA-N 1 1 466.651 4.886 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002172 526249936 /nfs/dbraw/zinc/24/99/36/526249936.db2.gz TYVWTCZAHDHAJW-NRFANRHFSA-N 1 1 492.067 4.819 50 0 JJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000012374701 526422739 /nfs/dbraw/zinc/42/27/39/526422739.db2.gz ZHKOJPHSOWHHAZ-OXQOHEQNSA-N 1 1 476.474 4.976 50 0 JJAAMO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000065006809 526602817 /nfs/dbraw/zinc/60/28/17/526602817.db2.gz KCKJVNOHODNQKD-HXUWFJFHSA-N 1 1 496.721 4.988 50 0 JJAAMO Cc1nc(C(=O)N2CCC(Oc3ccc(C[NH+]4CCN(c5ccccc5F)CC4)cc3)CC2)cs1 ZINC000014977940 526637949 /nfs/dbraw/zinc/63/79/49/526637949.db2.gz XYDMGOPIWNMMHW-UHFFFAOYSA-N 1 1 494.636 4.596 50 0 JJAAMO O=C(c1ccc(Nc2ccc(-c3ccc(F)cc3)nn2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033256977 526701672 /nfs/dbraw/zinc/70/16/72/526701672.db2.gz RYRKYXLEXDCLFN-UHFFFAOYSA-N 1 1 467.548 4.984 50 0 JJAAMO O=C(c1ccc(Nc2ccc(-c3cccc(F)c3)nn2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033257006 526701925 /nfs/dbraw/zinc/70/19/25/526701925.db2.gz SNKHAHWYEXDKFL-UHFFFAOYSA-N 1 1 467.548 4.984 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000009731725 526731547 /nfs/dbraw/zinc/73/15/47/526731547.db2.gz OSBYGHIBYVOOJJ-SFHVURJKSA-N 1 1 459.034 4.506 50 0 JJAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000009731725 526731548 /nfs/dbraw/zinc/73/15/48/526731548.db2.gz OSBYGHIBYVOOJJ-SFHVURJKSA-N 1 1 459.034 4.506 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@H+](CCc2ccccc2)C1 ZINC000014744576 527273201 /nfs/dbraw/zinc/27/32/01/527273201.db2.gz LAJPUKGGNNXPAP-LOSJGSFVSA-N 1 1 487.669 4.673 50 0 JJAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+]([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036310861 527341149 /nfs/dbraw/zinc/34/11/49/527341149.db2.gz SYIMUPSHUBOQHP-RUZDIDTESA-N 1 1 481.040 4.633 50 0 JJAAMO O=c1cc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc2scc(-c3ccccc3)n21 ZINC000021674737 527478001 /nfs/dbraw/zinc/47/80/01/527478001.db2.gz WWYQJCDZTPZECS-UHFFFAOYSA-N 1 1 484.547 4.760 50 0 JJAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146394 527658177 /nfs/dbraw/zinc/65/81/77/527658177.db2.gz CNPGBJQSGNXOQF-FTJBHMTQSA-N 1 1 466.528 4.538 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002209125 554094063 /nfs/dbraw/zinc/09/40/63/554094063.db2.gz HFMMFUHAPMENTM-IZZNHLLZSA-N 1 1 498.539 4.525 50 0 JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000002332209 554152071 /nfs/dbraw/zinc/15/20/71/554152071.db2.gz LBNJXETZOCSCOI-HSZRJFAPSA-N 1 1 477.586 4.516 50 0 JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000002332209 554152074 /nfs/dbraw/zinc/15/20/74/554152074.db2.gz LBNJXETZOCSCOI-HSZRJFAPSA-N 1 1 477.586 4.516 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2OC)cc1 ZINC000002336637 554154142 /nfs/dbraw/zinc/15/41/42/554154142.db2.gz RISDJDSBPHYMHP-AHKZPQOWSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc(OC)c([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000002344149 554157543 /nfs/dbraw/zinc/15/75/43/554157543.db2.gz LFGWXGRIGLTCKG-UIOOFZCWSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc(OC)c([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002395489 554182215 /nfs/dbraw/zinc/18/22/15/554182215.db2.gz XRVFKZFVPOGUSI-SVBPBHIXSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000002395437 554182235 /nfs/dbraw/zinc/18/22/35/554182235.db2.gz UVCMGFNYYQAPDR-IZZNHLLZSA-N 1 1 452.514 4.816 50 0 JJAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000002449695 554216711 /nfs/dbraw/zinc/21/67/11/554216711.db2.gz ZNOXNBXYHRSVAG-RRPNLBNLSA-N 1 1 482.540 4.907 50 0 JJAAMO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc(OCC)c1OCC ZINC000002881495 554403626 /nfs/dbraw/zinc/40/36/26/554403626.db2.gz GMDBEXURCIXPNT-UHFFFAOYSA-N 1 1 461.990 4.540 50 0 JJAAMO COc1ccc(Nc2cc(C(=O)NCC[N@@H+](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000008814247 554696516 /nfs/dbraw/zinc/69/65/16/554696516.db2.gz RAFAHRQILLAICL-UHFFFAOYSA-N 1 1 454.574 4.891 50 0 JJAAMO C[N@@H+](CCNC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1)Cc1ccccc1 ZINC000008912136 554801851 /nfs/dbraw/zinc/80/18/51/554801851.db2.gz OEDZUUBEHKPPKY-UHFFFAOYSA-N 1 1 473.646 4.535 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccc(C)cc3)cc2)CC1 ZINC000008913549 554806082 /nfs/dbraw/zinc/80/60/82/554806082.db2.gz NOZCVQJUDDEJOO-UHFFFAOYSA-N 1 1 485.657 4.858 50 0 JJAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccco1 ZINC000008922840 554819813 /nfs/dbraw/zinc/81/98/13/554819813.db2.gz BINPNHHHWSYYLX-NRFANRHFSA-N 1 1 467.547 4.764 50 0 JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccco1 ZINC000008928021 554825634 /nfs/dbraw/zinc/82/56/34/554825634.db2.gz BTJMBLPCAZGAKF-OAQYLSRUSA-N 1 1 467.547 4.766 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccc(F)c4)c2)N3)C1 ZINC000008928012 554825662 /nfs/dbraw/zinc/82/56/62/554825662.db2.gz OZPXNBIAPOZGQZ-OAQYLSRUSA-N 1 1 451.523 4.913 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1)Cc1ccccc1 ZINC000009115586 554902398 /nfs/dbraw/zinc/90/23/98/554902398.db2.gz QLFGIQFTGITXLP-PMERELPUSA-N 1 1 489.435 4.602 50 0 JJAAMO CCOc1ccc(C[N@@H+](C)C[C@@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009282843 555053106 /nfs/dbraw/zinc/05/31/06/555053106.db2.gz BVENFMNYIOTMEI-XMMPIXPASA-N 1 1 465.590 4.701 50 0 JJAAMO CC[C@H](C(=O)NCCC[N@@H+](CC)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289360 555063703 /nfs/dbraw/zinc/06/37/03/555063703.db2.gz RLDIEDXPMOXHJI-JOCHJYFZSA-N 1 1 476.646 4.899 50 0 JJAAMO CCOc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1OC ZINC000009309663 555084977 /nfs/dbraw/zinc/08/49/77/555084977.db2.gz BSXCNTSLIULMLX-CLJLJLNGSA-N 1 1 467.529 4.602 50 0 JJAAMO CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432483 555201592 /nfs/dbraw/zinc/20/15/92/555201592.db2.gz FHLQTCVWDSLCOU-LOSJGSFVSA-N 1 1 477.630 4.813 50 0 JJAAMO CCCC[N@@H+](CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433782 555204098 /nfs/dbraw/zinc/20/40/98/555204098.db2.gz JZZCHOZURMVEMD-UHFFFAOYSA-N 1 1 473.573 4.624 50 0 JJAAMO CCCn1cc(S(=O)(=O)c2cc(C)ccc2C)c(=O)c2cc(F)c(N3CC[NH+](CCC)CC3)cc21 ZINC000009435478 555206661 /nfs/dbraw/zinc/20/66/61/555206661.db2.gz PZAVXFLFZZUOOU-UHFFFAOYSA-N 1 1 499.652 4.532 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCN(c4ccccc4O)CC3)c2c1C ZINC000009509011 555296191 /nfs/dbraw/zinc/29/61/91/555296191.db2.gz CBHWYIVAEUTSQG-UHFFFAOYSA-N 1 1 451.640 4.572 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000009514893 555305730 /nfs/dbraw/zinc/30/57/30/555305730.db2.gz AUQGWFHNLGTKHL-UHFFFAOYSA-N 1 1 495.583 4.534 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674012 555398680 /nfs/dbraw/zinc/39/86/80/555398680.db2.gz GLKJWGXWJNOWMR-FQEVSTJZSA-N 1 1 462.638 4.993 50 0 JJAAMO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013463767 555401338 /nfs/dbraw/zinc/40/13/38/555401338.db2.gz SBODRXHINCSCAB-AWEZNQCLSA-N 1 1 472.825 4.818 50 0 JJAAMO Cc1nn2c(nc(C)c(CCC(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c2C)c1-c1ccccc1 ZINC000009609863 555438665 /nfs/dbraw/zinc/43/86/65/555438665.db2.gz YSRXDMSRLJOWOL-JOCHJYFZSA-N 1 1 459.638 4.635 50 0 JJAAMO C[C@@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013522622 555486499 /nfs/dbraw/zinc/48/64/99/555486499.db2.gz DTRBTLQIJLJEJJ-JOCHJYFZSA-N 1 1 454.574 4.521 50 0 JJAAMO CCOC(=O)c1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019841009 555509140 /nfs/dbraw/zinc/50/91/40/555509140.db2.gz YJAZOPOVDVZETR-UHFFFAOYSA-N 1 1 459.615 4.967 50 0 JJAAMO Fc1ccccc1N1CC[NH+](CCCNc2nc3ccccc3c3nc(-c4ccccc4)nn32)CC1 ZINC000009831064 555532464 /nfs/dbraw/zinc/53/24/64/555532464.db2.gz ILJKSJZRWOWTJC-UHFFFAOYSA-N 1 1 481.579 4.708 50 0 JJAAMO O=C(COc1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019897276 555532965 /nfs/dbraw/zinc/53/29/65/555532965.db2.gz RRWKMGCCVXJNSV-UHFFFAOYSA-N 1 1 465.391 4.762 50 0 JJAAMO O=C(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCN(Cc2ccccc2)CC1)OCO3 ZINC000009834683 555538710 /nfs/dbraw/zinc/53/87/10/555538710.db2.gz XTPZRNJFUQLXTB-UHFFFAOYSA-N 1 1 451.526 4.517 50 0 JJAAMO CC(C)[N@@H+](CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1 ZINC000009847826 555549654 /nfs/dbraw/zinc/54/96/54/555549654.db2.gz BMYWVMQJGMTNHA-UHFFFAOYSA-N 1 1 480.678 4.509 50 0 JJAAMO C[N@@H+](CCCNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)Cc1ccccc1 ZINC000010013253 555594204 /nfs/dbraw/zinc/59/42/04/555594204.db2.gz IBBHKXZSSAEKIE-UHFFFAOYSA-N 1 1 461.512 4.521 50 0 JJAAMO CSc1nc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c(NCCC[NH+]2CCOCC2)n1 ZINC000013803726 555622305 /nfs/dbraw/zinc/62/23/05/555622305.db2.gz QYFPZJZXHOWIGT-UHFFFAOYSA-N 1 1 481.647 4.844 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNc3ncnc4onc(-c5ccc(F)cc5)c43)C[C@H]2C)c1 ZINC000013809683 555624091 /nfs/dbraw/zinc/62/40/91/555624091.db2.gz JBWBKFUPVIDELA-LJQANCHMSA-N 1 1 460.557 4.745 50 0 JJAAMO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000013811161 555627216 /nfs/dbraw/zinc/62/72/16/555627216.db2.gz SYZFTMVIQFPUPS-DQEYMECFSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2OC)cc1OC ZINC000013811528 555628554 /nfs/dbraw/zinc/62/85/54/555628554.db2.gz FBOJOQBLFVIYMU-BDYUSTAISA-N 1 1 498.539 4.525 50 0 JJAAMO CCN1CC[NH+](CCCNC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)CC1 ZINC000020104780 555637411 /nfs/dbraw/zinc/63/74/11/555637411.db2.gz QAQMCLUDRDVJNF-UHFFFAOYSA-N 1 1 466.029 4.698 50 0 JJAAMO COc1ccc2c(c1)CCc1c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)noc1-2 ZINC000020137783 555661327 /nfs/dbraw/zinc/66/13/27/555661327.db2.gz QMIKRFBAXALWQY-UHFFFAOYSA-N 1 1 479.580 4.996 50 0 JJAAMO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1 ZINC000020153591 555672679 /nfs/dbraw/zinc/67/26/79/555672679.db2.gz BBWHXOQENNFADX-HSZRJFAPSA-N 1 1 482.742 4.626 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc2nc(N3CCN(CC)CC3)cc(C)c2c1 ZINC000020153591 555672682 /nfs/dbraw/zinc/67/26/82/555672682.db2.gz BBWHXOQENNFADX-HSZRJFAPSA-N 1 1 482.742 4.626 50 0 JJAAMO CCCC[N@@H+](CC)CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181197 555687905 /nfs/dbraw/zinc/68/79/05/555687905.db2.gz IRYNKWSDHXIPOD-MOHJPFBDSA-N 1 1 469.626 4.934 50 0 JJAAMO COc1ccc(Nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000020212261 555705623 /nfs/dbraw/zinc/70/56/23/555705623.db2.gz BGCSCNBHJCPMTQ-UHFFFAOYSA-N 1 1 482.584 4.954 50 0 JJAAMO Cc1nn2c(nc(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000020282664 555752484 /nfs/dbraw/zinc/75/24/84/555752484.db2.gz HSJNVCAWYIYOJM-UHFFFAOYSA-N 1 1 467.617 4.599 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000020289754 555761264 /nfs/dbraw/zinc/76/12/64/555761264.db2.gz UBZNCCKXJUMKOP-HOYKHHGWSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(F)cc2)CC1 ZINC000020289756 555761277 /nfs/dbraw/zinc/76/12/77/555761277.db2.gz UBZNCCKXJUMKOP-UUOWRZLLSA-N 1 1 453.583 4.578 50 0 JJAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011345015 555774345 /nfs/dbraw/zinc/77/43/45/555774345.db2.gz APAPGLQUIYFHBB-JOCHJYFZSA-N 1 1 498.627 4.809 50 0 JJAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000011345015 555774346 /nfs/dbraw/zinc/77/43/46/555774346.db2.gz APAPGLQUIYFHBB-JOCHJYFZSA-N 1 1 498.627 4.809 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020532315 555801660 /nfs/dbraw/zinc/80/16/60/555801660.db2.gz TXRWABXMOUOSHS-XMMPIXPASA-N 1 1 485.657 4.986 50 0 JJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(F)cc1 ZINC000011784967 555816988 /nfs/dbraw/zinc/81/69/88/555816988.db2.gz KLNDQCVKSBWRER-DHLKQENFSA-N 1 1 492.595 4.935 50 0 JJAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000011784967 555816991 /nfs/dbraw/zinc/81/69/91/555816991.db2.gz KLNDQCVKSBWRER-DHLKQENFSA-N 1 1 492.595 4.935 50 0 JJAAMO CCOC(=O)C1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000011838855 555832256 /nfs/dbraw/zinc/83/22/56/555832256.db2.gz IHMAPUMFKCKXMA-UHFFFAOYSA-N 1 1 457.924 4.789 50 0 JJAAMO C[C@H]1C[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccc(Br)cc3)c(O)c2)C[C@H](C)O1 ZINC000020589367 555837515 /nfs/dbraw/zinc/83/75/15/555837515.db2.gz RYOAGJPHIMOKPB-HOTGVXAUSA-N 1 1 472.383 4.700 50 0 JJAAMO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020600094 555841279 /nfs/dbraw/zinc/84/12/79/555841279.db2.gz GSFBGQZHAFTZCD-HXUWFJFHSA-N 1 1 469.589 4.704 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020904400 555848754 /nfs/dbraw/zinc/84/87/54/555848754.db2.gz IXLVEQSAEAXYGF-WDJPJFJCSA-N 1 1 453.652 4.675 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCC[N@H+]1CCCC[C@H]1C)C3=O ZINC000020902959 555848774 /nfs/dbraw/zinc/84/87/74/555848774.db2.gz PYLGGNNNURAQMJ-ONOMSOESSA-N 1 1 494.680 4.578 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(C)c1 ZINC000015069398 555869171 /nfs/dbraw/zinc/86/91/71/555869171.db2.gz CPOAVFLAUPXOJS-RDGATRHJSA-N 1 1 486.641 4.932 50 0 JJAAMO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)[N@@H+](CC3CCCCC3)C2)n1 ZINC000011965951 555871881 /nfs/dbraw/zinc/87/18/81/555871881.db2.gz CZVQSZYRXMYSKI-ZEQRLZLVSA-N 1 1 470.658 4.707 50 0 JJAAMO CCCCN(C)C(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000012036110 555889194 /nfs/dbraw/zinc/88/91/94/555889194.db2.gz CIZIGGXXQOFIOO-FQEVSTJZSA-N 1 1 452.595 4.952 50 0 JJAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)cc3n2)cc1 ZINC000015319782 555897649 /nfs/dbraw/zinc/89/76/49/555897649.db2.gz PVOVSLQURVPQML-UTKZUKDTSA-N 1 1 488.510 4.845 50 0 JJAAMO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015404756 555904202 /nfs/dbraw/zinc/90/42/02/555904202.db2.gz KNQAZSXAJPAFRF-XMMPIXPASA-N 1 1 473.573 4.904 50 0 JJAAMO C[NH+](C)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140819 555919728 /nfs/dbraw/zinc/91/97/28/555919728.db2.gz FSVNIQVHECZTST-UHFFFAOYSA-N 1 1 487.581 4.507 50 0 JJAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000012377172 555965353 /nfs/dbraw/zinc/96/53/53/555965353.db2.gz MEMMJGXLTRSCSG-DYESRHJHSA-N 1 1 484.522 4.935 50 0 JJAAMO Fc1ccc([C@@H](NCCC[NH+]2CCN(c3ccccc3F)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000015733633 555979115 /nfs/dbraw/zinc/97/91/15/555979115.db2.gz FKBNVORRDXNFOU-AREMUKBSSA-N 1 1 489.570 4.906 50 0 JJAAMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1 ZINC000012436521 555979813 /nfs/dbraw/zinc/97/98/13/555979813.db2.gz JYYUZJCGIJKDKE-JKIFEVAISA-N 1 1 496.243 4.790 50 0 JJAAMO CCCn1c(C[NH2+][C@H](c2cccs2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012532451 556002570 /nfs/dbraw/zinc/00/25/70/556002570.db2.gz JPCXYVOAMMTCGR-DEOSSOPVSA-N 1 1 468.648 4.637 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 ZINC000015825056 556013288 /nfs/dbraw/zinc/01/32/88/556013288.db2.gz PQGSJUNQXAGJGT-UHFFFAOYSA-N 1 1 452.946 4.545 50 0 JJAAMO O=C(Cn1c2ccccc2nc1SCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012541072 556014985 /nfs/dbraw/zinc/01/49/85/556014985.db2.gz CRJCRIZQNFAYNH-UHFFFAOYSA-N 1 1 456.615 4.673 50 0 JJAAMO Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3)n2)o1 ZINC000023428097 556054670 /nfs/dbraw/zinc/05/46/70/556054670.db2.gz WRVAEKFZRUPZTP-SFHVURJKSA-N 1 1 464.614 4.523 50 0 JJAAMO COc1cccc(NC(=O)[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 ZINC000012568539 556069336 /nfs/dbraw/zinc/06/93/36/556069336.db2.gz BQAKXEBNPLBMKG-AREMUKBSSA-N 1 1 457.574 4.791 50 0 JJAAMO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl ZINC000012569560 556072531 /nfs/dbraw/zinc/07/25/31/556072531.db2.gz OGSSWIGEMLHCTK-RUZDIDTESA-N 1 1 463.965 4.945 50 0 JJAAMO O=C1N[C@@H](c2cc3c(cc2Br)OCO3)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015945025 556081226 /nfs/dbraw/zinc/08/12/26/556081226.db2.gz CHSPKWUMJHCYLS-OAQYLSRUSA-N 1 1 498.402 4.652 50 0 JJAAMO O=C1N[C@@H](c2cc3c(cc2Br)OCO3)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015945025 556081228 /nfs/dbraw/zinc/08/12/28/556081228.db2.gz CHSPKWUMJHCYLS-OAQYLSRUSA-N 1 1 498.402 4.652 50 0 JJAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1I ZINC000015946351 556082817 /nfs/dbraw/zinc/08/28/17/556082817.db2.gz UFLVCKIGSJEZAU-QGZVFWFLSA-N 1 1 483.375 4.557 50 0 JJAAMO O=C(C[NH2+]Cc1ccco1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000015946565 556083413 /nfs/dbraw/zinc/08/34/13/556083413.db2.gz WOGJEIAJGQTUFC-UHFFFAOYSA-N 1 1 488.407 4.963 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(OC)cc4)cc2)N3)C1 ZINC000015947418 556085553 /nfs/dbraw/zinc/08/55/53/556085553.db2.gz VCNQZWSXROPYAL-QFIPXVFZSA-N 1 1 463.559 4.783 50 0 JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000012864869 556120220 /nfs/dbraw/zinc/12/02/20/556120220.db2.gz SWUSAVNHNHUGGN-DURWQBQJSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000012864869 556120221 /nfs/dbraw/zinc/12/02/21/556120221.db2.gz SWUSAVNHNHUGGN-DURWQBQJSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO CCn1c(SCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)nnc1-c1cccc(Cl)c1 ZINC000024417153 556130864 /nfs/dbraw/zinc/13/08/64/556130864.db2.gz MEFGVIBICAOKJG-GOSISDBHSA-N 1 1 470.042 4.616 50 0 JJAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012915258 556134374 /nfs/dbraw/zinc/13/43/74/556134374.db2.gz RPVIZNXRKFIBOX-HSZRJFAPSA-N 1 1 464.587 4.898 50 0 JJAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012915258 556134377 /nfs/dbraw/zinc/13/43/77/556134377.db2.gz RPVIZNXRKFIBOX-HSZRJFAPSA-N 1 1 464.587 4.898 50 0 JJAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000012918144 556136979 /nfs/dbraw/zinc/13/69/79/556136979.db2.gz NOVOSGFIERYHAX-XMMPIXPASA-N 1 1 472.976 4.606 50 0 JJAAMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000012977006 556169912 /nfs/dbraw/zinc/16/99/12/556169912.db2.gz BRCOBBZDARAXQR-UHFFFAOYSA-N 1 1 473.198 4.963 50 0 JJAAMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000012977006 556169916 /nfs/dbraw/zinc/16/99/16/556169916.db2.gz BRCOBBZDARAXQR-UHFFFAOYSA-N 1 1 473.198 4.963 50 0 JJAAMO COc1ccccc1N1CC[NH+](CCOc2ccc(-c3n[nH]cc3-c3ccccc3)c(O)c2)CC1 ZINC000024986385 556170024 /nfs/dbraw/zinc/17/00/24/556170024.db2.gz OALYBHMZMONTQM-UHFFFAOYSA-N 1 1 470.573 4.659 50 0 JJAAMO C[C@@H](NC(=O)c1ccc(N(C)C)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891066 556172214 /nfs/dbraw/zinc/17/22/14/556172214.db2.gz KVEZUMMMJLUUKI-CLOONOSVSA-N 1 1 466.626 4.635 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025034406 556172918 /nfs/dbraw/zinc/17/29/18/556172918.db2.gz PHXUMJZDJGJSIA-QGZVFWFLSA-N 1 1 485.053 4.993 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012982399 556175839 /nfs/dbraw/zinc/17/58/39/556175839.db2.gz ZHHVOGJJXRUJMB-HNAYVOBHSA-N 1 1 450.457 4.911 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012982399 556175841 /nfs/dbraw/zinc/17/58/41/556175841.db2.gz ZHHVOGJJXRUJMB-HNAYVOBHSA-N 1 1 450.457 4.911 50 0 JJAAMO CCc1ccc(-n2c(=O)c3ccccc3nc2SC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000025747067 556231877 /nfs/dbraw/zinc/23/18/77/556231877.db2.gz GLCHCAKVWJHXTD-XMMPIXPASA-N 1 1 471.626 4.941 50 0 JJAAMO CCc1ccc(-n2c(=O)c3ccccc3nc2SC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000025747067 556231880 /nfs/dbraw/zinc/23/18/80/556231880.db2.gz GLCHCAKVWJHXTD-XMMPIXPASA-N 1 1 471.626 4.941 50 0 JJAAMO O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000018271151 556317914 /nfs/dbraw/zinc/31/79/14/556317914.db2.gz ZACLBOIAQNPMOB-UHFFFAOYSA-N 1 1 456.782 4.706 50 0 JJAAMO Cn1ccnc1[C@H]([NH2+]C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028657941 556338985 /nfs/dbraw/zinc/33/89/85/556338985.db2.gz ORAYZEYMJAOUHN-LOSJGSFVSA-N 1 1 481.518 4.684 50 0 JJAAMO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000029199463 556348966 /nfs/dbraw/zinc/34/89/66/556348966.db2.gz OMCGMNBJURXFRS-AREMUKBSSA-N 1 1 461.993 4.896 50 0 JJAAMO CC[C@H](C)[C@@H]([NH3+])C(=O)Oc1cc(C)c2c(c1)oc(C(F)(F)F)c(-c1csc(C)n1)c2=O ZINC000019703011 556360538 /nfs/dbraw/zinc/36/05/38/556360538.db2.gz XBKYVZZJIBKQJH-HUTHGQBESA-N 1 1 454.470 4.831 50 0 biogenic JJAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)ccc21 ZINC000019723137 556361784 /nfs/dbraw/zinc/36/17/84/556361784.db2.gz WDEKKRLPPCTKBJ-UHFFFAOYSA-N 1 1 457.574 4.790 50 0 JJAAMO COC(=O)C[C@H]([NH2+][C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cc(C)ccc1C ZINC000019799728 556376542 /nfs/dbraw/zinc/37/65/42/556376542.db2.gz PAWCIKBHIKJGMS-AZGAKELHSA-N 1 1 450.554 4.875 50 0 JJAAMO O=C(c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019804425 556378788 /nfs/dbraw/zinc/37/87/88/556378788.db2.gz AVOPQFUQOXPPJN-UHFFFAOYSA-N 1 1 472.972 4.995 50 0 JJAAMO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)c1 ZINC000032739773 556479880 /nfs/dbraw/zinc/47/98/80/556479880.db2.gz GSXZPGIEFUVQAX-AREMUKBSSA-N 1 1 491.638 4.891 50 0 JJAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)C1 ZINC000032885683 556522670 /nfs/dbraw/zinc/52/26/70/556522670.db2.gz GOSHZWVZYZSJKG-IAGOWNOFSA-N 1 1 475.058 4.765 50 0 JJAAMO COc1ccccc1[C@@H](CNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C)[NH+]1CCCC1 ZINC000032908202 556532160 /nfs/dbraw/zinc/53/21/60/556532160.db2.gz XSLXZVMXODISSU-LJQANCHMSA-N 1 1 450.608 4.761 50 0 JJAAMO COc1cc(/C=C/C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)ccc1OCc1c(C)noc1C ZINC000013126914 562961463 /nfs/dbraw/zinc/96/14/63/562961463.db2.gz RFTMZCVCSPNQKT-PKNBQFBNSA-N 1 1 475.589 4.545 50 0 JJAAMO O=C(c1sc2c(c1Cl)c(OC(F)F)ccc2Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000054972782 569590311 /nfs/dbraw/zinc/59/03/11/569590311.db2.gz CSLGMXKYJFTFCA-SECBINFHSA-N 1 1 465.747 4.839 50 0 JJAAMO O=C1c2cccc(N3CC[NH+](Cc4cccs4)CC3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000055168918 569591033 /nfs/dbraw/zinc/59/10/33/569591033.db2.gz DYPWKLBPOFPODD-UHFFFAOYSA-N 1 1 485.531 4.885 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000059487381 569605357 /nfs/dbraw/zinc/60/53/57/569605357.db2.gz TXYVFFUIEMPVJQ-DZRFEFHFSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000059487381 569605359 /nfs/dbraw/zinc/60/53/59/569605359.db2.gz TXYVFFUIEMPVJQ-DZRFEFHFSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983603 569606844 /nfs/dbraw/zinc/60/68/44/569606844.db2.gz LWFAJMMKHIQTSJ-HAFIMRKLSA-N 1 1 453.970 4.706 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983606 569606875 /nfs/dbraw/zinc/60/68/75/569606875.db2.gz LWFAJMMKHIQTSJ-BDFKGGEMSA-N 1 1 453.970 4.706 50 0 JJAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)C1CCCCC1 ZINC000032984016 569607338 /nfs/dbraw/zinc/60/73/38/569607338.db2.gz KCPLDUFWNNVCPD-HAHDFKILSA-N 1 1 453.970 4.706 50 0 JJAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc(OC)c1OC ZINC000033014189 569618011 /nfs/dbraw/zinc/61/80/11/569618011.db2.gz OOBQHBXZYCVOJC-UHFFFAOYSA-N 1 1 478.553 4.799 50 0 JJAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc(OC)c1OC ZINC000033014189 569618012 /nfs/dbraw/zinc/61/80/12/569618012.db2.gz OOBQHBXZYCVOJC-UHFFFAOYSA-N 1 1 478.553 4.799 50 0 JJAAMO COc1cc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4cccc(F)c4F)CC3)nc2)cc(OC)c1 ZINC000034682136 569643727 /nfs/dbraw/zinc/64/37/27/569643727.db2.gz NQUBLWYHZGRTKV-UHFFFAOYSA-N 1 1 497.546 4.733 50 0 JJAAMO COc1cc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4cccc(F)c4F)CC3)nc2)cc(OC)c1 ZINC000034682136 569643728 /nfs/dbraw/zinc/64/37/28/569643728.db2.gz NQUBLWYHZGRTKV-UHFFFAOYSA-N 1 1 497.546 4.733 50 0 JJAAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711150 569650741 /nfs/dbraw/zinc/65/07/41/569650741.db2.gz KVXBYQGFDCZYPW-FGZHOGPDSA-N 1 1 464.512 4.616 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787639 569659764 /nfs/dbraw/zinc/65/97/64/569659764.db2.gz BEFYWYRICMFBPR-SANMLTNESA-N 1 1 494.060 4.642 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787639 569659765 /nfs/dbraw/zinc/65/97/65/569659765.db2.gz BEFYWYRICMFBPR-SANMLTNESA-N 1 1 494.060 4.642 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000034829808 569663366 /nfs/dbraw/zinc/66/33/66/569663366.db2.gz FCKDKTSDIJJAAV-JIPXPUAJSA-N 1 1 479.690 4.644 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000034829808 569663367 /nfs/dbraw/zinc/66/33/67/569663367.db2.gz FCKDKTSDIJJAAV-JIPXPUAJSA-N 1 1 479.690 4.644 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000034829809 569663393 /nfs/dbraw/zinc/66/33/93/569663393.db2.gz FCKDKTSDIJJAAV-ZBLYBZFDSA-N 1 1 479.690 4.644 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)C2CCCCC2)[C@H](C)C1 ZINC000034829809 569663394 /nfs/dbraw/zinc/66/33/94/569663394.db2.gz FCKDKTSDIJJAAV-ZBLYBZFDSA-N 1 1 479.690 4.644 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034830028 569663685 /nfs/dbraw/zinc/66/36/85/569663685.db2.gz SOJLYDRIXLJTLE-NDEPHWFRSA-N 1 1 487.669 4.633 50 0 JJAAMO CCCCCC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830324 569663965 /nfs/dbraw/zinc/66/39/65/569663965.db2.gz KHSPAIOCCREAAE-RLWLMLJZSA-N 1 1 467.679 4.644 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1 ZINC000034859850 569667732 /nfs/dbraw/zinc/66/77/32/569667732.db2.gz LVDTUGBYJFGYIO-VPUSJEBWSA-N 1 1 469.585 4.793 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2)C1 ZINC000034859850 569667733 /nfs/dbraw/zinc/66/77/33/569667733.db2.gz LVDTUGBYJFGYIO-VPUSJEBWSA-N 1 1 469.585 4.793 50 0 JJAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@H](C)O1 ZINC000065606735 569676256 /nfs/dbraw/zinc/67/62/56/569676256.db2.gz QIQAHTDQJPACTQ-BGYRXZFFSA-N 1 1 455.574 4.758 50 0 JJAAMO CN(C(=O)C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)C(c1ccccc1)c1ccccc1 ZINC000069523710 569693174 /nfs/dbraw/zinc/69/31/74/569693174.db2.gz NPXXSPLWWBGYLU-UHFFFAOYSA-N 1 1 484.596 4.601 50 0 JJAAMO O=C(c1cnc2ccc(Cl)cc2c1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCCCC1 ZINC000072328388 569702372 /nfs/dbraw/zinc/70/23/72/569702372.db2.gz YHNIYCHNWFVKHI-UHFFFAOYSA-N 1 1 493.007 4.565 50 0 JJAAMO C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562084 569704631 /nfs/dbraw/zinc/70/46/31/569704631.db2.gz ZWEOJWZXYRSMEE-LJQANCHMSA-N 1 1 481.040 4.558 50 0 JJAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c(Cc3ccc(F)cc3)nc3cc(Cl)c(Cl)cc32)CC1 ZINC000085407107 569710249 /nfs/dbraw/zinc/71/02/49/569710249.db2.gz XQJSABNOIJTDSU-OAHLLOKOSA-N 1 1 463.384 4.798 50 0 JJAAMO CC[N@@H+](CCCNC(=O)C1CCN(c2ccnc(-c3cccc(C)c3)n2)CC1)Cc1ccccc1 ZINC000085649118 569712182 /nfs/dbraw/zinc/71/21/82/569712182.db2.gz GDFQIAXTRPVCJU-UHFFFAOYSA-N 1 1 471.649 4.697 50 0 JJAAMO C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000085997923 569716849 /nfs/dbraw/zinc/71/68/49/569716849.db2.gz ZFQWYXXFPIWSOT-KOSHJBKYSA-N 1 1 455.574 4.704 50 0 JJAAMO COc1ccc2c(c1)N1CC[N@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871761 569718941 /nfs/dbraw/zinc/71/89/41/569718941.db2.gz MERTWDHXFPMKRY-IYKJZBSOSA-N 1 1 473.592 4.575 50 0 JJAAMO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@H]23)c1 ZINC000035871984 569719023 /nfs/dbraw/zinc/71/90/23/569719023.db2.gz YPEURFYYLXTQCU-ISKFKSNPSA-N 1 1 473.539 4.958 50 0 JJAAMO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035925696 569729073 /nfs/dbraw/zinc/72/90/73/569729073.db2.gz BIXZWZICVMRFIB-UHFFFAOYSA-N 1 1 458.585 4.865 50 0 JJAAMO Cc1cccc(-n2c(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)nnc2-c2ccco2)c1 ZINC000095925498 569730153 /nfs/dbraw/zinc/73/01/53/569730153.db2.gz WSFKMARMBITKBZ-UHFFFAOYSA-N 1 1 473.602 4.516 50 0 JJAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccccn4)CC3)n2)cc1 ZINC000035927818 569730732 /nfs/dbraw/zinc/73/07/32/569730732.db2.gz TXNJNNPHGYMZPK-UHFFFAOYSA-N 1 1 489.627 4.822 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042996 569754317 /nfs/dbraw/zinc/75/43/17/569754317.db2.gz ZDBULOYQODXNSB-WHLCRQNOSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042996 569754318 /nfs/dbraw/zinc/75/43/18/569754318.db2.gz ZDBULOYQODXNSB-WHLCRQNOSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2)c1 ZINC000036043081 569754676 /nfs/dbraw/zinc/75/46/76/569754676.db2.gz YEAXIPIGHGELID-PPHZAIPVSA-N 1 1 460.574 4.630 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccccc2)c1 ZINC000036043081 569754678 /nfs/dbraw/zinc/75/46/78/569754678.db2.gz YEAXIPIGHGELID-PPHZAIPVSA-N 1 1 460.574 4.630 50 0 JJAAMO CC[C@@H](NC(=O)Cc1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccccc1 ZINC000036048333 569755935 /nfs/dbraw/zinc/75/59/35/569755935.db2.gz UULIMZKPEUSURA-IRPSRAIASA-N 1 1 458.602 4.941 50 0 JJAAMO CC[C@H](NC(=O)NC(C)(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048482 569756019 /nfs/dbraw/zinc/75/60/19/569756019.db2.gz NDQCCZHVDTVBFU-URXFXBBRSA-N 1 1 457.590 4.819 50 0 JJAAMO CC[C@H](NC(=O)NC(C)(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048482 569756020 /nfs/dbraw/zinc/75/60/20/569756020.db2.gz NDQCCZHVDTVBFU-URXFXBBRSA-N 1 1 457.590 4.819 50 0 JJAAMO CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCc4ccccc4C3)C3CCCC3)CC2)cc1 ZINC000036250485 569758393 /nfs/dbraw/zinc/75/83/93/569758393.db2.gz BTXNIQLWWAZWNJ-MUUNZHRXSA-N 1 1 487.688 4.886 50 0 JJAAMO CCCCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@H]3C)C3CCCC3)CC2)cc1 ZINC000036250303 569758400 /nfs/dbraw/zinc/75/84/00/569758400.db2.gz KACMVMKXMDONNW-ATIYNZHBSA-N 1 1 453.671 4.747 50 0 JJAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccco2)C(=O)c2cccc(F)c2)CC1 ZINC000036312105 569759876 /nfs/dbraw/zinc/75/98/76/569759876.db2.gz GKEIROKCKQWLLJ-UHFFFAOYSA-N 1 1 492.526 4.807 50 0 JJAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(C)cc1 ZINC000036312197 569760020 /nfs/dbraw/zinc/76/00/20/569760020.db2.gz VSLSQDFAPJYODL-UHFFFAOYSA-N 1 1 450.558 4.593 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccc(OC)cc1 ZINC000036312145 569760144 /nfs/dbraw/zinc/76/01/44/569760144.db2.gz CYIAYKBRWGOBPB-IBGZPJMESA-N 1 1 480.584 4.682 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccs1 ZINC000036312143 569760175 /nfs/dbraw/zinc/76/01/75/569760175.db2.gz IMDXMHWPVQZRLE-KRWDZBQOSA-N 1 1 456.587 4.735 50 0 JJAAMO CCCC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313800 569761190 /nfs/dbraw/zinc/76/11/90/569761190.db2.gz WKONWJWEWNAHPJ-JOCHJYFZSA-N 1 1 467.610 4.888 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036313962 569761703 /nfs/dbraw/zinc/76/17/03/569761703.db2.gz MZRPBXXRJOLCOJ-DEOSSOPVSA-N 1 1 481.637 4.814 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340982 569764091 /nfs/dbraw/zinc/76/40/91/569764091.db2.gz ZHQUDQWQQBXNHP-BWKNWUBXSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2Cl)C1 ZINC000036340982 569764092 /nfs/dbraw/zinc/76/40/92/569764092.db2.gz ZHQUDQWQQBXNHP-BWKNWUBXSA-N 1 1 482.024 4.910 50 0 JJAAMO Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036340872 569764212 /nfs/dbraw/zinc/76/42/12/569764212.db2.gz QIETUAOWPIHTNL-NDEPHWFRSA-N 1 1 470.592 4.630 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036341255 569764412 /nfs/dbraw/zinc/76/44/12/569764412.db2.gz LLCAOSWHACJXFA-SANMLTNESA-N 1 1 473.573 4.522 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036341255 569764413 /nfs/dbraw/zinc/76/44/13/569764413.db2.gz LLCAOSWHACJXFA-SANMLTNESA-N 1 1 473.573 4.522 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342048 569765239 /nfs/dbraw/zinc/76/52/39/569765239.db2.gz BQYRVWPQALVSIV-QHCPKHFHSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036342048 569765240 /nfs/dbraw/zinc/76/52/40/569765240.db2.gz BQYRVWPQALVSIV-QHCPKHFHSA-N 1 1 485.600 4.737 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000036343213 569766324 /nfs/dbraw/zinc/76/63/24/569766324.db2.gz NKCGNOWARORXHG-DEOSSOPVSA-N 1 1 453.558 4.785 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343887 569766520 /nfs/dbraw/zinc/76/65/20/569766520.db2.gz ONHBUFLKENXNKR-NLFFAJNJSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343887 569766521 /nfs/dbraw/zinc/76/65/21/569766521.db2.gz ONHBUFLKENXNKR-NLFFAJNJSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344068 569766772 /nfs/dbraw/zinc/76/67/72/569766772.db2.gz QLWZSCIXMZARFZ-LJAQVGFWSA-N 1 1 482.628 4.581 50 0 JJAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000036344228 569766868 /nfs/dbraw/zinc/76/68/68/569766868.db2.gz PNKCHSXWLUQKDV-HXOBKFHXSA-N 1 1 455.986 4.909 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344558 569767012 /nfs/dbraw/zinc/76/70/12/569767012.db2.gz JALBQOLKFRZUGD-NLFFAJNJSA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344558 569767013 /nfs/dbraw/zinc/76/70/13/569767013.db2.gz JALBQOLKFRZUGD-NLFFAJNJSA-N 1 1 482.024 4.910 50 0 JJAAMO COc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344579 569767059 /nfs/dbraw/zinc/76/70/59/569767059.db2.gz WBIPYKMISLOEKP-SSEXGKCCSA-N 1 1 496.655 4.808 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)cc1C ZINC000036344700 569767258 /nfs/dbraw/zinc/76/72/58/569767258.db2.gz XSUIHIBKQDVHPU-LJAQVGFWSA-N 1 1 484.619 4.938 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344635 569767320 /nfs/dbraw/zinc/76/73/20/569767320.db2.gz GUMPNIVBCZYPPB-OZXSUGGESA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344635 569767321 /nfs/dbraw/zinc/76/73/21/569767321.db2.gz GUMPNIVBCZYPPB-OZXSUGGESA-N 1 1 461.606 4.565 50 0 JJAAMO COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036345659 569767932 /nfs/dbraw/zinc/76/79/32/569767932.db2.gz MOWWUMOJKLNNHS-PMERELPUSA-N 1 1 496.655 4.808 50 0 JJAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345506 569768053 /nfs/dbraw/zinc/76/80/53/569768053.db2.gz ISJNZTHXTGPNNC-GDLZYMKVSA-N 1 1 484.619 4.938 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036346020 569768787 /nfs/dbraw/zinc/76/87/87/569768787.db2.gz FTRUNUPCTOOGBS-JOCHJYFZSA-N 1 1 453.558 4.862 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036346020 569768788 /nfs/dbraw/zinc/76/87/88/569768788.db2.gz FTRUNUPCTOOGBS-JOCHJYFZSA-N 1 1 453.558 4.862 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346002 569768796 /nfs/dbraw/zinc/76/87/96/569768796.db2.gz PAHYDHATZZBAHU-JOCHJYFZSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COC(C)(C)C ZINC000036346002 569768797 /nfs/dbraw/zinc/76/87/97/569768797.db2.gz PAHYDHATZZBAHU-JOCHJYFZSA-N 1 1 485.600 4.737 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346103 569769005 /nfs/dbraw/zinc/76/90/05/569769005.db2.gz QGJMAYSCTSWGFY-JOCHJYFZSA-N 1 1 453.558 4.722 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036346334 569769442 /nfs/dbraw/zinc/76/94/42/569769442.db2.gz QOVBHQXOHCUKOD-HSZRJFAPSA-N 1 1 453.558 4.862 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036346334 569769443 /nfs/dbraw/zinc/76/94/43/569769443.db2.gz QOVBHQXOHCUKOD-HSZRJFAPSA-N 1 1 453.558 4.862 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346260 569769494 /nfs/dbraw/zinc/76/94/94/569769494.db2.gz HEVIRUAXRDZWNT-HSZRJFAPSA-N 1 1 485.600 4.737 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036346260 569769495 /nfs/dbraw/zinc/76/94/95/569769495.db2.gz HEVIRUAXRDZWNT-HSZRJFAPSA-N 1 1 485.600 4.737 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346713 569770541 /nfs/dbraw/zinc/77/05/41/569770541.db2.gz DJYICQZOZCXBFD-JOCHJYFZSA-N 1 1 459.537 4.859 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COCC ZINC000036346671 569770560 /nfs/dbraw/zinc/77/05/60/569770560.db2.gz QKTSHMOZZUXPFN-QFIPXVFZSA-N 1 1 459.537 4.861 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036346766 569770873 /nfs/dbraw/zinc/77/08/73/569770873.db2.gz FGXFKHKIMRDNLO-JOCHJYFZSA-N 1 1 459.537 4.861 50 0 JJAAMO CC[NH+]1CCN(c2ccc(NC(=O)CN(CCc3cccs3)Cc3cccs3)cc2)CC1 ZINC000036386391 569774275 /nfs/dbraw/zinc/77/42/75/569774275.db2.gz ZKCLWQGYUYTGLG-UHFFFAOYSA-N 1 1 468.692 4.635 50 0 JJAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CC[N@H+]1CCCC[C@@H]1C)C3=O ZINC000037006512 569780992 /nfs/dbraw/zinc/78/09/92/569780992.db2.gz DFZWUBQPEXQPLL-LGGPFLRQSA-N 1 1 494.680 4.578 50 0 JJAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000037383013 569785314 /nfs/dbraw/zinc/78/53/14/569785314.db2.gz FFOHIYFTBCEGOW-UHFFFAOYSA-N 1 1 487.579 4.590 50 0 JJAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(C)c(C)cc3nc2Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000037398856 569787363 /nfs/dbraw/zinc/78/73/63/569787363.db2.gz OLWSICXXWPMSBD-UHFFFAOYSA-N 1 1 459.421 4.715 50 0 JJAAMO Cc1cc([C@H](c2ccc(OC(F)F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546429 569803096 /nfs/dbraw/zinc/80/30/96/569803096.db2.gz SJXOVAQVZRNBFQ-FQEVSTJZSA-N 1 1 461.534 4.840 50 0 JJAAMO C[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2F)CC1 ZINC000038546502 569803209 /nfs/dbraw/zinc/80/32/09/569803209.db2.gz XGIALJUTCLCRJT-QHCPKHFHSA-N 1 1 453.583 4.948 50 0 JJAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc3c(c2)OCO3)N2CC[NH+](C)CC2)c1C ZINC000038546762 569803645 /nfs/dbraw/zinc/80/36/45/569803645.db2.gz GMWGTTAZXWGQKC-QFIPXVFZSA-N 1 1 469.632 4.744 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(NCC[C@@](O)(c3nccn3C)C(F)(F)F)c2c1C ZINC000040105308 569816104 /nfs/dbraw/zinc/81/61/04/569816104.db2.gz OBFDQKYUKDFDHI-JOCHJYFZSA-N 1 1 496.603 4.526 50 0 JJAAMO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000040157902 569821838 /nfs/dbraw/zinc/82/18/38/569821838.db2.gz VMRBFEVPGQPSCR-LPHOPBHVSA-N 1 1 461.400 4.764 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@@H+](Cc2ccccc2)CC3)cc1Cl ZINC000102845989 569824304 /nfs/dbraw/zinc/82/43/04/569824304.db2.gz ZOFPAJHPEGIUHS-UHFFFAOYSA-N 1 1 464.997 4.526 50 0 JJAAMO Cc1ccc(NC(=O)Cn2c(=O)c3c(nc2C(C)C)C[N@H+](Cc2ccccc2)CC3)cc1Cl ZINC000102845989 569824305 /nfs/dbraw/zinc/82/43/05/569824305.db2.gz ZOFPAJHPEGIUHS-UHFFFAOYSA-N 1 1 464.997 4.526 50 0 JJAAMO C[N@H+]1CCCN(C2=Nc3ccccc3Oc3ccc(NC(=O)Cc4ccc(F)cc4)cc32)CC1 ZINC000103362049 569834787 /nfs/dbraw/zinc/83/47/87/569834787.db2.gz KNOLPWOYAZVQSJ-UHFFFAOYSA-N 1 1 458.537 4.828 50 0 JJAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983083 569847992 /nfs/dbraw/zinc/84/79/92/569847992.db2.gz ZTJDULXERPKFLT-WOJBJXKFSA-N 1 1 451.394 4.775 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983851 569848273 /nfs/dbraw/zinc/84/82/73/569848273.db2.gz YFVMFKBQGNUKNP-JTHBVZDNSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983851 569848275 /nfs/dbraw/zinc/84/82/75/569848275.db2.gz YFVMFKBQGNUKNP-JTHBVZDNSA-N 1 1 468.956 4.914 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104983367 569848290 /nfs/dbraw/zinc/84/82/90/569848290.db2.gz XNFRTBQDIRKQFD-AZGAKELHSA-N 1 1 478.564 4.578 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984505 569848559 /nfs/dbraw/zinc/84/85/59/569848559.db2.gz QHKWLNBGJNTFPS-FCHUYYIVSA-N 1 1 468.491 4.626 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985347 569848663 /nfs/dbraw/zinc/84/86/63/569848663.db2.gz HNZDGXOLOFUZKZ-LOSJGSFVSA-N 1 1 466.528 4.708 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104985347 569848665 /nfs/dbraw/zinc/84/86/65/569848665.db2.gz HNZDGXOLOFUZKZ-LOSJGSFVSA-N 1 1 466.528 4.708 50 0 JJAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000105000959 569848992 /nfs/dbraw/zinc/84/89/92/569848992.db2.gz GAHRJGDKGFFICR-YADHBBJMSA-N 1 1 486.012 4.615 50 0 JJAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000105000959 569848993 /nfs/dbraw/zinc/84/89/93/569848993.db2.gz GAHRJGDKGFFICR-YADHBBJMSA-N 1 1 486.012 4.615 50 0 JJAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004054 569849626 /nfs/dbraw/zinc/84/96/26/569849626.db2.gz XHBHCFTYTJAZIQ-GMAHTHKFSA-N 1 1 458.668 4.599 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009458 569850398 /nfs/dbraw/zinc/85/03/98/569850398.db2.gz VXNUMECSIIJYMM-JYFHCDHNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(C)cc2)C1 ZINC000105009458 569850399 /nfs/dbraw/zinc/85/03/99/569850399.db2.gz VXNUMECSIIJYMM-JYFHCDHNSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105010666 569850943 /nfs/dbraw/zinc/85/09/43/569850943.db2.gz CEQOOMQQHNFNRR-ATIYNZHBSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)C1 ZINC000105010666 569850944 /nfs/dbraw/zinc/85/09/44/569850944.db2.gz CEQOOMQQHNFNRR-ATIYNZHBSA-N 1 1 461.606 4.565 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000105013711 569851253 /nfs/dbraw/zinc/85/12/53/569851253.db2.gz MDZDZPDGZRVGTP-RSXGOPAZSA-N 1 1 497.611 4.879 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000105013711 569851254 /nfs/dbraw/zinc/85/12/54/569851254.db2.gz MDZDZPDGZRVGTP-RSXGOPAZSA-N 1 1 497.611 4.879 50 0 JJAAMO Cc1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051317485 569851506 /nfs/dbraw/zinc/85/15/06/569851506.db2.gz ZLPCVSPKYCMBOO-UHFFFAOYSA-N 1 1 471.992 4.777 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000105061784 569852702 /nfs/dbraw/zinc/85/27/02/569852702.db2.gz VSGIDOHNUYLSLK-AMGIVPHBSA-N 1 1 487.669 4.767 50 0 JJAAMO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106184156 569853871 /nfs/dbraw/zinc/85/38/71/569853871.db2.gz JGZJPFRDENZGEL-RRPNLBNLSA-N 1 1 455.602 4.615 50 0 JJAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCCC3)C[C@@H]12 ZINC000169678707 569869147 /nfs/dbraw/zinc/86/91/47/569869147.db2.gz ILWGUXWWMDHOTC-GMAHTHKFSA-N 1 1 461.528 4.610 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680022 569870045 /nfs/dbraw/zinc/87/00/45/569870045.db2.gz CJEXOCZIZAJQJT-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccccc1C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169680022 569870046 /nfs/dbraw/zinc/87/00/46/569870046.db2.gz CJEXOCZIZAJQJT-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)CC ZINC000169680262 569870384 /nfs/dbraw/zinc/87/03/84/569870384.db2.gz DBNWJYYACMNNQO-LEDOBFOHSA-N 1 1 462.631 4.511 50 0 JJAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681927 569870938 /nfs/dbraw/zinc/87/09/38/569870938.db2.gz BFKXPQQAJYTDHD-UPVQGACJSA-N 1 1 475.530 4.766 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000227248747 570040191 /nfs/dbraw/zinc/04/01/91/570040191.db2.gz YFHSBVRSLHRWAC-DUOVIKOCSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000227248747 570040193 /nfs/dbraw/zinc/04/01/93/570040193.db2.gz YFHSBVRSLHRWAC-DUOVIKOCSA-N 1 1 461.924 4.782 50 0 JJAAMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(c3ccc(C(F)(F)F)cn3)C[C@H]2C)CC1 ZINC000240122400 570052929 /nfs/dbraw/zinc/05/29/29/570052929.db2.gz VYJZTUUHWKPPHK-LJQANCHMSA-N 1 1 460.544 4.533 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000245247844 570059440 /nfs/dbraw/zinc/05/94/40/570059440.db2.gz YFHSBVRSLHRWAC-KWNHSTDBSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000245247844 570059441 /nfs/dbraw/zinc/05/94/41/570059441.db2.gz YFHSBVRSLHRWAC-KWNHSTDBSA-N 1 1 461.924 4.782 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245279492 570061528 /nfs/dbraw/zinc/06/15/28/570061528.db2.gz GGBVMSNYIDJUPB-XZOQPEGZSA-N 1 1 497.611 4.785 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245280018 570061628 /nfs/dbraw/zinc/06/16/28/570061628.db2.gz MDZDZPDGZRVGTP-AOYPEHQESA-N 1 1 497.611 4.879 50 0 JJAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245280018 570061629 /nfs/dbraw/zinc/06/16/29/570061629.db2.gz MDZDZPDGZRVGTP-AOYPEHQESA-N 1 1 497.611 4.879 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000245327902 570065533 /nfs/dbraw/zinc/06/55/33/570065533.db2.gz LDCWNCBLYGBSAA-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)C[C@H]2C)cc1 ZINC000245327902 570065534 /nfs/dbraw/zinc/06/55/34/570065534.db2.gz LDCWNCBLYGBSAA-SKCUWOTOSA-N 1 1 487.669 4.686 50 0 JJAAMO CC[C@@H](O)C[N@@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C ZINC000245330429 570066830 /nfs/dbraw/zinc/06/68/30/570066830.db2.gz YLXDLMZVCJHGDX-ISKFKSNPSA-N 1 1 472.695 4.989 50 0 JJAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000247859587 570070221 /nfs/dbraw/zinc/07/02/21/570070221.db2.gz MCUHPBUPVRLHKP-UHFFFAOYSA-N 1 1 497.618 4.725 50 0 JJAAMO CCCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247986027 570072137 /nfs/dbraw/zinc/07/21/37/570072137.db2.gz ITVVQFREDNOAHV-UHFFFAOYSA-N 1 1 455.400 4.526 50 0 JJAAMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988554 570072261 /nfs/dbraw/zinc/07/22/61/570072261.db2.gz JTMQYPCKIRZJKZ-KRWDZBQOSA-N 1 1 455.400 4.525 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000248026018 570073004 /nfs/dbraw/zinc/07/30/04/570073004.db2.gz WGUNSGZUWRTLRF-NRFANRHFSA-N 1 1 480.056 4.831 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248079626 570073564 /nfs/dbraw/zinc/07/35/64/570073564.db2.gz CMIBTSDRLYJTPQ-ZYQDXHPFSA-N 1 1 483.955 4.803 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248079626 570073565 /nfs/dbraw/zinc/07/35/65/570073565.db2.gz CMIBTSDRLYJTPQ-ZYQDXHPFSA-N 1 1 483.955 4.803 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248168413 570075971 /nfs/dbraw/zinc/07/59/71/570075971.db2.gz TXYVFFUIEMPVJQ-PJEHFJQTSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248168413 570075972 /nfs/dbraw/zinc/07/59/72/570075972.db2.gz TXYVFFUIEMPVJQ-PJEHFJQTSA-N 1 1 497.982 4.663 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000248261761 570077058 /nfs/dbraw/zinc/07/70/58/570077058.db2.gz MOMNTZHQIYJMSS-NCYKPQTJSA-N 1 1 468.475 4.836 50 0 JJAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000248261761 570077059 /nfs/dbraw/zinc/07/70/59/570077059.db2.gz MOMNTZHQIYJMSS-NCYKPQTJSA-N 1 1 468.475 4.836 50 0 JJAAMO CCCCN(CC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)CC1 ZINC000248264847 570077120 /nfs/dbraw/zinc/07/71/20/570077120.db2.gz RYZHNMDEUUCUJK-UHFFFAOYSA-N 1 1 462.638 4.954 50 0 JJAAMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248268450 570077260 /nfs/dbraw/zinc/07/72/60/570077260.db2.gz YQYIWBRRLBETBL-GOSISDBHSA-N 1 1 469.427 4.916 50 0 JJAAMO CCCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4CC)CC3)CC2)cc1 ZINC000249691178 570078574 /nfs/dbraw/zinc/07/85/74/570078574.db2.gz LGWQJIFIYAUNLW-UHFFFAOYSA-N 1 1 473.665 4.570 50 0 JJAAMO COc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)cn1 ZINC000252448882 570080891 /nfs/dbraw/zinc/08/08/91/570080891.db2.gz JREHEUIYLUCZQT-FGZHOGPDSA-N 1 1 479.650 4.630 50 0 JJAAMO COc1cc(/C=C/C[N@H+]2CCC[C@@H](c3nc(SC[C@H]4CCCO4)ncc3C)C2)ccc1O ZINC000252448886 570080966 /nfs/dbraw/zinc/08/09/66/570080966.db2.gz LLNZFEFBTAHAOJ-PURBIHQZSA-N 1 1 455.624 4.663 50 0 JJAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000001447585 194122851 /nfs/dbraw/zinc/12/28/51/194122851.db2.gz LYGQTUZTVRAWAN-UHFFFAOYSA-N 1 1 483.597 4.698 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)[NH+](C)C)cc1 ZINC000012757985 195109329 /nfs/dbraw/zinc/10/93/29/195109329.db2.gz BYOYOJPLJAPMLO-XMMPIXPASA-N 1 1 456.542 4.810 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 ZINC000012766414 195113948 /nfs/dbraw/zinc/11/39/48/195113948.db2.gz MXCPSSOXGIXTDF-UHFFFAOYSA-N 1 1 457.552 4.515 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780633 195124424 /nfs/dbraw/zinc/12/44/24/195124424.db2.gz SZMUTNWZRZEBHI-LSDHHAIUSA-N 1 1 451.901 4.619 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012780633 195124427 /nfs/dbraw/zinc/12/44/27/195124427.db2.gz SZMUTNWZRZEBHI-LSDHHAIUSA-N 1 1 451.901 4.619 50 0 JJAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(=O)n1Cc1cc(OC)c(Br)cc1OC ZINC000012786184 195128374 /nfs/dbraw/zinc/12/83/74/195128374.db2.gz LKWLMICBUFVDPB-UHFFFAOYSA-N 1 1 494.455 4.745 50 0 JJAAMO COc1ccccc1[C@@H](CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)[NH+](C)C ZINC000012802279 195139997 /nfs/dbraw/zinc/13/99/97/195139997.db2.gz RBXCGEGOYRMGOS-RUZDIDTESA-N 1 1 454.574 4.640 50 0 JJAAMO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000012812266 195144734 /nfs/dbraw/zinc/14/47/34/195144734.db2.gz YGZPMCKTGYAKJQ-GTNSWQLSSA-N 1 1 460.283 4.950 50 0 JJAAMO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000012812254 195144856 /nfs/dbraw/zinc/14/48/56/195144856.db2.gz YGZPMCKTGYAKJQ-APPDUMDISA-N 1 1 460.283 4.950 50 0 JJAAMO O=C(CSc1nnc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012847515 195152927 /nfs/dbraw/zinc/15/29/27/195152927.db2.gz GURDGTZGHLTZJO-UHFFFAOYSA-N 1 1 470.598 4.763 50 0 JJAAMO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012881564 195168604 /nfs/dbraw/zinc/16/86/04/195168604.db2.gz QSQZHJMZJQRDMC-LJQANCHMSA-N 1 1 492.357 4.537 50 0 JJAAMO Cc1cc(I)ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012881564 195168607 /nfs/dbraw/zinc/16/86/07/195168607.db2.gz QSQZHJMZJQRDMC-LJQANCHMSA-N 1 1 492.357 4.537 50 0 JJAAMO Cc1oc2cc3oc(=O)c(CCC(=O)N4CC[NH+](Cc5ccccc5)CC4)c(C)c3cc2c1C ZINC000020650055 195195637 /nfs/dbraw/zinc/19/56/37/195195637.db2.gz IUSPJYNMYHIRJR-UHFFFAOYSA-N 1 1 458.558 4.741 50 0 JJAAMO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)c(C)c2O)cc1 ZINC000020622596 195190199 /nfs/dbraw/zinc/19/01/99/195190199.db2.gz HCOBYYDUGAQKTF-IRXDYDNUSA-N 1 1 451.567 4.563 50 0 JJAAMO C[N@@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)CCc1ccccc1 ZINC000020728592 195208953 /nfs/dbraw/zinc/20/89/53/195208953.db2.gz YLCXMCZIONKLSV-NCELDCMTSA-N 1 1 457.599 4.676 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@H+]5CCCC[C@H]35)CO4)c2=O)cc1 ZINC000020761369 195217836 /nfs/dbraw/zinc/21/78/36/195217836.db2.gz XPTWAYCLCYQFRO-NBGIEHNGSA-N 1 1 460.574 4.885 50 0 biogenic JJAAMO COc1ccc(OC)c(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CO4)c1 ZINC000020761072 195217889 /nfs/dbraw/zinc/21/78/89/195217889.db2.gz RFHPIVVDFZNQKA-NBGIEHNGSA-N 1 1 490.600 4.894 50 0 biogenic JJAAMO C[C@@H]1CCCC[N@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903415 195243347 /nfs/dbraw/zinc/24/33/47/195243347.db2.gz CZLFGPGOHKLNOZ-MNNSJKJDSA-N 1 1 478.681 4.959 50 0 JJAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1)Cc1cccs1 ZINC000020919614 195247051 /nfs/dbraw/zinc/24/70/51/195247051.db2.gz XBLMAVRBTWSZMV-QGZVFWFLSA-N 1 1 473.664 4.712 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000020861818 195233539 /nfs/dbraw/zinc/23/35/39/195233539.db2.gz SKVKAMZWQCZCPT-RUZDIDTESA-N 1 1 473.665 4.518 50 0 JJAAMO Cc1ccc(C[N@H+]2CC[C@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)C2)cc1 ZINC000020990103 195262197 /nfs/dbraw/zinc/26/21/97/195262197.db2.gz CABXBAYZBALCFC-OAQYLSRUSA-N 1 1 493.673 4.740 50 0 JJAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000020994624 195263448 /nfs/dbraw/zinc/26/34/48/195263448.db2.gz CDDJAIOACBTRMX-HHHXNRCGSA-N 1 1 452.558 4.719 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021364817 195299895 /nfs/dbraw/zinc/29/98/95/195299895.db2.gz ZELVVVJQCZCSFK-NDEPHWFRSA-N 1 1 482.669 4.924 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526010 195304642 /nfs/dbraw/zinc/30/46/42/195304642.db2.gz ZXQHCCHVALDCJX-AREMUKBSSA-N 1 1 472.699 4.878 50 0 JJAAMO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000021808715 195323908 /nfs/dbraw/zinc/32/39/08/195323908.db2.gz AOHCRGBTPUFLDL-DNGGPVNVSA-N 1 1 484.710 4.877 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916281 195332329 /nfs/dbraw/zinc/33/23/29/195332329.db2.gz JIPVBZIIPNJSSZ-QFIPXVFZSA-N 1 1 462.638 4.985 50 0 JJAAMO O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021940454 195338958 /nfs/dbraw/zinc/33/89/58/195338958.db2.gz YASPYTBYJKFJKJ-UHFFFAOYSA-N 1 1 450.995 4.603 50 0 JJAAMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000058157155 195367502 /nfs/dbraw/zinc/36/75/02/195367502.db2.gz CZVOSTMSIOBOLH-UHFFFAOYSA-N 1 1 456.306 4.600 50 0 JJAAMO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000058217465 195373820 /nfs/dbraw/zinc/37/38/20/195373820.db2.gz JVZRARCVOJHXPK-UMTXDNHDSA-N 1 1 465.638 4.586 50 0 JJAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C1 ZINC000059057620 195387106 /nfs/dbraw/zinc/38/71/06/195387106.db2.gz MDATUSGUSNMDKP-SZPZYZBQSA-N 1 1 479.690 4.809 50 0 JJAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000014881614 518449533 /nfs/dbraw/zinc/44/95/33/518449533.db2.gz UYEQPNQQJGQRQV-MSMNXAATSA-N 1 1 475.637 4.967 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)CC(C)C ZINC000036206395 519755839 /nfs/dbraw/zinc/75/58/39/519755839.db2.gz DJCNFWDULOJIOA-IBGZPJMESA-N 1 1 478.058 4.797 50 0 JJAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)CC(C)C ZINC000036206395 519755840 /nfs/dbraw/zinc/75/58/40/519755840.db2.gz DJCNFWDULOJIOA-IBGZPJMESA-N 1 1 478.058 4.797 50 0 JJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)CC(C)C ZINC000036205419 519757623 /nfs/dbraw/zinc/75/76/23/519757623.db2.gz AWKCYLDCIRVEDG-QGZVFWFLSA-N 1 1 478.058 4.797 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)CC(C)C ZINC000036205419 519757624 /nfs/dbraw/zinc/75/76/24/519757624.db2.gz AWKCYLDCIRVEDG-QGZVFWFLSA-N 1 1 478.058 4.797 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036308484 519880829 /nfs/dbraw/zinc/88/08/29/519880829.db2.gz NLKHOKJICYWGOL-QHCPKHFHSA-N 1 1 463.578 4.642 50 0 JJAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036308484 519880832 /nfs/dbraw/zinc/88/08/32/519880832.db2.gz NLKHOKJICYWGOL-QHCPKHFHSA-N 1 1 463.578 4.642 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306075 520154922 /nfs/dbraw/zinc/15/49/22/520154922.db2.gz HSRTVMZPWNGIBV-JOCHJYFZSA-N 1 1 491.588 4.881 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306075 520154929 /nfs/dbraw/zinc/15/49/29/520154929.db2.gz HSRTVMZPWNGIBV-JOCHJYFZSA-N 1 1 491.588 4.881 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308194 520154949 /nfs/dbraw/zinc/15/49/49/520154949.db2.gz HJJFZBBRUZNOSE-JOCHJYFZSA-N 1 1 461.562 4.872 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308194 520154958 /nfs/dbraw/zinc/15/49/58/520154958.db2.gz HJJFZBBRUZNOSE-JOCHJYFZSA-N 1 1 461.562 4.872 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302321 520155782 /nfs/dbraw/zinc/15/57/82/520155782.db2.gz QWGHOGGOZYVWJD-HSZRJFAPSA-N 1 1 465.594 4.591 50 0 JJAAMO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)[C@@H](C)C(C)(C)O ZINC000036310214 520317666 /nfs/dbraw/zinc/31/76/66/520317666.db2.gz DPLQSDFGFXYKHN-CVDCTZTESA-N 1 1 458.668 4.858 50 0 JJAAMO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036309371 520318563 /nfs/dbraw/zinc/31/85/63/520318563.db2.gz GMFOZEQPUZPABD-DQEYMECFSA-N 1 1 478.658 4.925 50 0 JJAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)c1ccccc1 ZINC000036309371 520318566 /nfs/dbraw/zinc/31/85/66/520318566.db2.gz GMFOZEQPUZPABD-DQEYMECFSA-N 1 1 478.658 4.925 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(Cl)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296918 520579928 /nfs/dbraw/zinc/57/99/28/520579928.db2.gz YSCBCMWBWHFJGN-DEOSSOPVSA-N 1 1 484.980 4.522 50 0 JJAAMO CC1(C)Cc2cccc(OCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2O1 ZINC000022713961 520583141 /nfs/dbraw/zinc/58/31/41/520583141.db2.gz ZSFSLSFKHCVHQE-UHFFFAOYSA-N 1 1 456.586 4.713 50 0 JJAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014748466 520665371 /nfs/dbraw/zinc/66/53/71/520665371.db2.gz QHSAMCZRJGZYMH-VQTJNVASSA-N 1 1 464.528 4.844 50 0 JJAAMO CC1CCN(C(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000012279359 520979407 /nfs/dbraw/zinc/97/94/07/520979407.db2.gz LJRWWHHTGBCPJR-OAQYLSRUSA-N 1 1 464.606 4.952 50 0 JJAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2OC)cc1OC ZINC000002449693 521268857 /nfs/dbraw/zinc/26/88/57/521268857.db2.gz ZNOXNBXYHRSVAG-SVBPBHIXSA-N 1 1 482.540 4.907 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(C)cc3C)[C@@H](C)C(C)C)n2)C1 ZINC000036065630 521295770 /nfs/dbraw/zinc/29/57/70/521295770.db2.gz OAQQETWGEYMEKU-GMAHTHKFSA-N 1 1 469.626 4.753 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(C)cc3C)[C@@H](C)C(C)C)n2)C1 ZINC000036065630 521295777 /nfs/dbraw/zinc/29/57/77/521295777.db2.gz OAQQETWGEYMEKU-GMAHTHKFSA-N 1 1 469.626 4.753 50 0 JJAAMO CCCCn1c(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000014670844 521362810 /nfs/dbraw/zinc/36/28/10/521362810.db2.gz YIIDDVLBOQKUGD-UHFFFAOYSA-N 1 1 472.630 4.958 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036309144 521535752 /nfs/dbraw/zinc/53/57/52/521535752.db2.gz LWOWHYDKQFPAKV-IGKIAQTJSA-N 1 1 492.685 4.877 50 0 JJAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC ZINC000036303953 521679016 /nfs/dbraw/zinc/67/90/16/521679016.db2.gz QNWSTFRYOKRMNB-QFIPXVFZSA-N 1 1 453.583 4.591 50 0 JJAAMO COc1cc(CN(Cc2ccncc2)C(=O)[C@H]2CCCC[N@H+]2C)ccc1OC1Cc2ccccc2C1 ZINC000012248053 522362821 /nfs/dbraw/zinc/36/28/21/522362821.db2.gz WBRFOKOTDJENMR-HHHXNRCGSA-N 1 1 485.628 4.650 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036302575 522638476 /nfs/dbraw/zinc/63/84/76/522638476.db2.gz SMEJEXOQAHSRAN-QHCPKHFHSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036302575 522638490 /nfs/dbraw/zinc/63/84/90/522638490.db2.gz SMEJEXOQAHSRAN-QHCPKHFHSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036302755 522642618 /nfs/dbraw/zinc/64/26/18/522642618.db2.gz MFLBPHRPILDXOV-HSZRJFAPSA-N 1 1 479.621 4.986 50 0 JJAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036302755 522642626 /nfs/dbraw/zinc/64/26/26/522642626.db2.gz MFLBPHRPILDXOV-HSZRJFAPSA-N 1 1 479.621 4.986 50 0 JJAAMO C[N@@H+](CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021808495 522822963 /nfs/dbraw/zinc/82/29/63/522822963.db2.gz JBBVXPOYANLXAO-SANMLTNESA-N 1 1 470.683 4.631 50 0 JJAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000012447249 522967655 /nfs/dbraw/zinc/96/76/55/522967655.db2.gz MGXWFQMOWOODPK-UADAULAISA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC ZINC000012447249 522967660 /nfs/dbraw/zinc/96/76/60/522967660.db2.gz MGXWFQMOWOODPK-UADAULAISA-N 1 1 482.621 4.636 50 0 biogenic JJAAMO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370989 523107167 /nfs/dbraw/zinc/10/71/67/523107167.db2.gz UHJMVOIXJUEBBJ-DYESRHJHSA-N 1 1 470.520 4.764 50 0 JJAAMO CCn1c(C)cc(O)c([C@@H](c2ccccc2Cl)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022696985 523139031 /nfs/dbraw/zinc/13/90/31/523139031.db2.gz CWYNYOJZPMZWHQ-XMMPIXPASA-N 1 1 455.961 4.586 50 0 JJAAMO CCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697287 523139741 /nfs/dbraw/zinc/13/97/41/523139741.db2.gz WNDTUDPNFJSVGY-RUZDIDTESA-N 1 1 467.610 4.655 50 0 JJAAMO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@H+]5CCCC[C@@H]35)CO4)c2=O)cc1OC ZINC000043746985 523156268 /nfs/dbraw/zinc/15/62/68/523156268.db2.gz LCHPQVANSHXVPE-RDPSFJRHSA-N 1 1 490.600 4.894 50 0 JJAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cc3ncccn3n2)cc1 ZINC000012279620 523448678 /nfs/dbraw/zinc/44/86/78/523448678.db2.gz HNKFHUHXOFICNZ-QFIPXVFZSA-N 1 1 489.645 4.887 50 0 JJAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)cc2)cn1 ZINC000012213619 523517249 /nfs/dbraw/zinc/51/72/49/523517249.db2.gz ABZROJCKSHVYHV-FMIVXFBMSA-N 1 1 479.024 4.789 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036305760 523736114 /nfs/dbraw/zinc/73/61/14/523736114.db2.gz IVHVOVONTCXTFE-QFIPXVFZSA-N 1 1 497.636 4.512 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000036304668 523738235 /nfs/dbraw/zinc/73/82/35/523738235.db2.gz XTBIDECXCLYRJH-XMMPIXPASA-N 1 1 467.610 4.516 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000036304668 523738242 /nfs/dbraw/zinc/73/82/42/523738242.db2.gz XTBIDECXCLYRJH-XMMPIXPASA-N 1 1 467.610 4.516 50 0 JJAAMO COc1ccc(C)cc1NC(=O)N1CC[NH+](CCn2c(-c3ccc(C)cc3)nc3cccnc32)CC1 ZINC000033139744 523831195 /nfs/dbraw/zinc/83/11/95/523831195.db2.gz ROAYLWMLPRUXSJ-UHFFFAOYSA-N 1 1 484.604 4.573 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COc3ccccc3)C2)cc1 ZINC000036146646 523881419 /nfs/dbraw/zinc/88/14/19/523881419.db2.gz XJNCLNOQQDUOSG-OZXSUGGESA-N 1 1 480.992 4.784 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COc3ccccc3)C2)cc1 ZINC000036146646 523881423 /nfs/dbraw/zinc/88/14/23/523881423.db2.gz XJNCLNOQQDUOSG-OZXSUGGESA-N 1 1 480.992 4.784 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000036344745 524233392 /nfs/dbraw/zinc/23/33/92/524233392.db2.gz FXCZBYQECXTLMJ-MUUNZHRXSA-N 1 1 470.592 4.630 50 0 JJAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)[nH+]2)cc1 ZINC000033326735 524235408 /nfs/dbraw/zinc/23/54/08/524235408.db2.gz VTVZLVSPXMVFRB-UHFFFAOYSA-N 1 1 468.945 4.671 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CCC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206597 524277437 /nfs/dbraw/zinc/27/74/37/524277437.db2.gz STRAEFFOTMSJMT-LJQANCHMSA-N 1 1 487.666 4.542 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CCC(C)C)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206597 524277442 /nfs/dbraw/zinc/27/74/42/524277442.db2.gz STRAEFFOTMSJMT-LJQANCHMSA-N 1 1 487.666 4.542 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000014983041 524472830 /nfs/dbraw/zinc/47/28/30/524472830.db2.gz RADNLJYTVBAMBX-URXFXBBRSA-N 1 1 490.604 4.762 50 0 JJAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(F)cc1 ZINC000014983041 524472840 /nfs/dbraw/zinc/47/28/40/524472840.db2.gz RADNLJYTVBAMBX-URXFXBBRSA-N 1 1 490.604 4.762 50 0 JJAAMO Cc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c1C ZINC000035456582 524607965 /nfs/dbraw/zinc/60/79/65/524607965.db2.gz ZECOQJNWTLDHOC-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1cccc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c1C ZINC000035456582 524607975 /nfs/dbraw/zinc/60/79/75/524607975.db2.gz ZECOQJNWTLDHOC-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COCC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305838 524694479 /nfs/dbraw/zinc/69/44/79/524694479.db2.gz SNZFXKRWAAJFDT-HSZRJFAPSA-N 1 1 479.621 4.886 50 0 JJAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036306509 524786399 /nfs/dbraw/zinc/78/63/99/524786399.db2.gz XWOOFBOABZCMQQ-AZGAKELHSA-N 1 1 493.648 4.955 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306089 524988674 /nfs/dbraw/zinc/98/86/74/524988674.db2.gz OLQSORCLUWDPCG-JOCHJYFZSA-N 1 1 467.610 4.884 50 0 JJAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304607 524990470 /nfs/dbraw/zinc/99/04/70/524990470.db2.gz XENPGDFKKDCFEM-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000036145933 525306724 /nfs/dbraw/zinc/30/67/24/525306724.db2.gz DRPLKBLLTJQTMB-LOSJGSFVSA-N 1 1 462.565 4.878 50 0 JJAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000036145933 525306730 /nfs/dbraw/zinc/30/67/30/525306730.db2.gz DRPLKBLLTJQTMB-LOSJGSFVSA-N 1 1 462.565 4.878 50 0 JJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793964 525322708 /nfs/dbraw/zinc/32/27/08/525322708.db2.gz FTOJCOGXXNJRDI-UHFFFAOYSA-N 1 1 466.383 4.562 50 0 JJAAMO Cc1cc(O)c([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698253 525326333 /nfs/dbraw/zinc/32/63/33/525326333.db2.gz MORCBXLLHGRHHJ-MHZLTWQESA-N 1 1 491.538 4.693 50 0 JJAAMO COc1ccc([C@](O)(c2ccccc2OC)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447003 525445007 /nfs/dbraw/zinc/44/50/07/525445007.db2.gz DDDBZNUCIWOQOM-BDYUSTAISA-N 1 1 467.993 4.709 50 0 JJAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3c(n[nH]c3-c3ccc(Cl)cc3)n2)cc1 ZINC000033269502 525723143 /nfs/dbraw/zinc/72/31/43/525723143.db2.gz XDHJUERBJPNOLP-UHFFFAOYSA-N 1 1 490.007 4.706 50 0 JJAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(Cc2cn(C)nc2C)C3)s1 ZINC000014994222 525741243 /nfs/dbraw/zinc/74/12/43/525741243.db2.gz CMBILEFVNDMYDC-NRFANRHFSA-N 1 1 480.678 4.881 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)nc(=O)c23)cc1C ZINC000036205203 525784719 /nfs/dbraw/zinc/78/47/19/525784719.db2.gz CRDLFRYBGOBDOX-NRFANRHFSA-N 1 1 471.667 4.760 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)COCC(C)C)nc(=O)c23)cc1C ZINC000036205203 525784729 /nfs/dbraw/zinc/78/47/29/525784729.db2.gz CRDLFRYBGOBDOX-NRFANRHFSA-N 1 1 471.667 4.760 50 0 JJAAMO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000022698013 525784717 /nfs/dbraw/zinc/78/47/17/525784717.db2.gz YIKPZDOWZSCFQO-LJAQVGFWSA-N 1 1 498.602 4.665 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205215 525785973 /nfs/dbraw/zinc/78/59/73/525785973.db2.gz ZODUMRYBTCPQMU-FQEVSTJZSA-N 1 1 471.667 4.902 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C)nc(=O)c23)cc1C ZINC000036205215 525785976 /nfs/dbraw/zinc/78/59/76/525785976.db2.gz ZODUMRYBTCPQMU-FQEVSTJZSA-N 1 1 471.667 4.902 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COCc4ccco4)nc(=O)c23)cc1 ZINC000036207632 525786468 /nfs/dbraw/zinc/78/64/68/525786468.db2.gz CCIKDTXEDAMPNJ-HXUWFJFHSA-N 1 1 481.618 4.589 50 0 JJAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COCc4ccco4)nc(=O)c23)cc1 ZINC000036207632 525786478 /nfs/dbraw/zinc/78/64/78/525786478.db2.gz CCIKDTXEDAMPNJ-HXUWFJFHSA-N 1 1 481.618 4.589 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCCC2=CCCCC2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000035456431 525821171 /nfs/dbraw/zinc/82/11/71/525821171.db2.gz FQURXTSZNDXDKP-UHFFFAOYSA-N 1 1 496.655 4.784 50 0 JJAAMO Cc1ccc(-c2nc3c(c(=O)n2CC(=O)NCCC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000035456431 525821183 /nfs/dbraw/zinc/82/11/83/525821183.db2.gz FQURXTSZNDXDKP-UHFFFAOYSA-N 1 1 496.655 4.784 50 0 JJAAMO Cc1ccc(-c2nc3cccnc3n2CC[NH+]2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000033048167 525826510 /nfs/dbraw/zinc/82/65/10/525826510.db2.gz ZEPPAGMJDHTTNZ-UHFFFAOYSA-N 1 1 468.605 4.873 50 0 JJAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccccc3)C[C@@H](O)COCc3ccco3)n2)cc1Cl ZINC000036147720 525877434 /nfs/dbraw/zinc/87/74/34/525877434.db2.gz DDSLTBJUGPAIFX-JOCHJYFZSA-N 1 1 481.980 4.914 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000014971279 525964393 /nfs/dbraw/zinc/96/43/93/525964393.db2.gz BUXPMKPVWJTEHG-FQEVSTJZSA-N 1 1 490.608 4.719 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)NCC[C@H]3CCC[N@@H+]3C)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000014971275 525965283 /nfs/dbraw/zinc/96/52/83/525965283.db2.gz BUXPMKPVWJTEHG-HXUWFJFHSA-N 1 1 490.608 4.719 50 0 JJAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326726 526129347 /nfs/dbraw/zinc/12/93/47/526129347.db2.gz XQDHCZDRRAWBTB-UHFFFAOYSA-N 1 1 450.568 4.731 50 0 JJAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CC[NH+](Cc6ccccc6)CC5)C4=O)cc3)sc2c1 ZINC000022797988 526241483 /nfs/dbraw/zinc/24/14/83/526241483.db2.gz RXKNKNGWOZEYSX-VWLOTQADSA-N 1 1 496.636 4.721 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146613 526285110 /nfs/dbraw/zinc/28/51/10/526285110.db2.gz PVTOUNJWNJSZKA-LADGPHEKSA-N 1 1 472.944 4.645 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145959 526285604 /nfs/dbraw/zinc/28/56/04/526285604.db2.gz GPYJUVQIMRCONY-IZZNHLLZSA-N 1 1 464.993 4.913 50 0 JJAAMO O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000008616593 526286843 /nfs/dbraw/zinc/28/68/43/526286843.db2.gz OKZSJXYQJTVLKR-KRWDZBQOSA-N 1 1 496.858 4.664 50 0 JJAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146531 526287938 /nfs/dbraw/zinc/28/79/38/526287938.db2.gz AGJKXWSYWWOTJH-LADGPHEKSA-N 1 1 454.954 4.506 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147155 526291716 /nfs/dbraw/zinc/29/17/16/526291716.db2.gz SUJDVRIPYIHORA-UKILVPOCSA-N 1 1 450.966 4.775 50 0 JJAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147155 526291720 /nfs/dbraw/zinc/29/17/20/526291720.db2.gz SUJDVRIPYIHORA-UKILVPOCSA-N 1 1 450.966 4.775 50 0 JJAAMO O=C([C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1)N1CCCC1 ZINC000014746440 526506140 /nfs/dbraw/zinc/50/61/40/526506140.db2.gz BUBRDRYGLBHWLU-FCHUYYIVSA-N 1 1 460.540 4.887 50 0 JJAAMO O=C(c1cc(-c2ccccc2)on1)N1CCOc2ccc(C[N@@H+]3CCc4sccc4C3)cc2C1 ZINC000012245864 526592139 /nfs/dbraw/zinc/59/21/39/526592139.db2.gz GEYDWWGZISMYGS-UHFFFAOYSA-N 1 1 471.582 4.996 50 0 JJAAMO O=C(c1cc(-c2ccccc2)on1)N1CCOc2ccc(C[N@H+]3CCc4sccc4C3)cc2C1 ZINC000012245864 526592144 /nfs/dbraw/zinc/59/21/44/526592144.db2.gz GEYDWWGZISMYGS-UHFFFAOYSA-N 1 1 471.582 4.996 50 0 JJAAMO O=C(C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309071 526697307 /nfs/dbraw/zinc/69/73/07/526697307.db2.gz DJZUXWJSBLCUER-IZZNHLLZSA-N 1 1 476.642 4.699 50 0 JJAAMO O=C(Cc1ccc(Cl)cc1)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012404476 527223180 /nfs/dbraw/zinc/22/31/80/527223180.db2.gz GZRUXBPFZAVECM-UHFFFAOYSA-N 1 1 464.034 4.691 50 0 JJAAMO O=C(Nc1cccc(N2CCC([N@H+]3CCOc4ccc(Cl)cc4C3)CC2)c1)c1ccncc1 ZINC000014887540 527357125 /nfs/dbraw/zinc/35/71/25/527357125.db2.gz CYBZDXBRSKKSNO-UHFFFAOYSA-N 1 1 462.981 4.851 50 0 JJAAMO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028657929 527454325 /nfs/dbraw/zinc/45/43/25/527454325.db2.gz ORAYZEYMJAOUHN-RPBOFIJWSA-N 1 1 481.518 4.684 50 0 JJAAMO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033269082 527610683 /nfs/dbraw/zinc/61/06/83/527610683.db2.gz ROTRGESUNJSSSW-FQEVSTJZSA-N 1 1 484.019 4.600 50 0 JJAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249830 527658834 /nfs/dbraw/zinc/65/88/34/527658834.db2.gz PZUGPPBJVZHGGH-RUZDIDTESA-N 1 1 461.606 4.874 50 0 JJAAMO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146420 527663808 /nfs/dbraw/zinc/66/38/08/527663808.db2.gz CXRMFFBPHLGXKU-ZEQRLZLVSA-N 1 1 454.492 4.703 50 0 JJAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146420 527663811 /nfs/dbraw/zinc/66/38/11/527663811.db2.gz CXRMFFBPHLGXKU-ZEQRLZLVSA-N 1 1 454.492 4.703 50 0 JJAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)c1 ZINC000000635820 553720984 /nfs/dbraw/zinc/72/09/84/553720984.db2.gz SRMFKPUFIGVFKI-UIOOFZCWSA-N 1 1 468.513 4.517 50 0 JJAAMO C[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1 ZINC000000729082 553775061 /nfs/dbraw/zinc/77/50/61/553775061.db2.gz LULSTRXNTYSSBO-AWEZNQCLSA-N 1 1 476.440 4.922 50 0 JJAAMO C[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Br)cc2)CCC3)C1 ZINC000000729082 553775064 /nfs/dbraw/zinc/77/50/64/553775064.db2.gz LULSTRXNTYSSBO-AWEZNQCLSA-N 1 1 476.440 4.922 50 0 JJAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000002095600 554040261 /nfs/dbraw/zinc/04/02/61/554040261.db2.gz ULDVIANUJMKCJH-SQGPQFPESA-N 1 1 482.411 4.743 50 0 biogenic JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002194292 554088328 /nfs/dbraw/zinc/08/83/28/554088328.db2.gz XJIORAVYJZUKIU-JOCHJYFZSA-N 1 1 498.004 4.861 50 0 JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccccc1Cl ZINC000002194292 554088330 /nfs/dbraw/zinc/08/83/30/554088330.db2.gz XJIORAVYJZUKIU-JOCHJYFZSA-N 1 1 498.004 4.861 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002209123 554094106 /nfs/dbraw/zinc/09/41/06/554094106.db2.gz HFMMFUHAPMENTM-FTJBHMTQSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1cc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc(OC)c1OC ZINC000002231938 554105656 /nfs/dbraw/zinc/10/56/56/554105656.db2.gz DBBNYUIHBUOOJJ-IZZNHLLZSA-N 1 1 482.540 4.825 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000002249547 554113831 /nfs/dbraw/zinc/11/38/31/554113831.db2.gz LGEWCPPNDNDXHC-UIOOFZCWSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(N(C)C)cc2)cc1 ZINC000002316007 554145718 /nfs/dbraw/zinc/14/57/18/554145718.db2.gz YVZSDIFENZKOCZ-FTJBHMTQSA-N 1 1 451.530 4.565 50 0 JJAAMO COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(OC)c2)N2NC=NC2=[NH+]3)c1 ZINC000002395490 554182156 /nfs/dbraw/zinc/18/21/56/554182156.db2.gz XRVFKZFVPOGUSI-RRPNLBNLSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000002395435 554182276 /nfs/dbraw/zinc/18/22/76/554182276.db2.gz UVCMGFNYYQAPDR-CLJLJLNGSA-N 1 1 452.514 4.816 50 0 JJAAMO CCOc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2OC)cc1OC ZINC000002449696 554216732 /nfs/dbraw/zinc/21/67/32/554216732.db2.gz ZNOXNBXYHRSVAG-KAYWLYCHSA-N 1 1 482.540 4.907 50 0 JJAAMO O=C1C[C@@H]([NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000008739434 554641207 /nfs/dbraw/zinc/64/12/07/554641207.db2.gz IJHVMVQAASPYLT-RUZDIDTESA-N 1 1 474.988 4.620 50 0 JJAAMO CCn1c(SCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000008744872 554648019 /nfs/dbraw/zinc/64/80/19/554648019.db2.gz YDBDWWFLRIEPIE-GOSISDBHSA-N 1 1 494.448 4.910 50 0 JJAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)Cc1ccccc1 ZINC000008801955 554687259 /nfs/dbraw/zinc/68/72/59/554687259.db2.gz SRPVWRHEABPUGE-UHFFFAOYSA-N 1 1 466.651 4.555 50 0 JJAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)C1 ZINC000008878071 554773822 /nfs/dbraw/zinc/77/38/22/554773822.db2.gz AWYIGLQVLDWNAP-QUCCMNQESA-N 1 1 488.971 4.773 50 0 biogenic JJAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccco1 ZINC000008922844 554819795 /nfs/dbraw/zinc/81/97/95/554819795.db2.gz BINPNHHHWSYYLX-OAQYLSRUSA-N 1 1 467.547 4.764 50 0 JJAAMO CC[N@@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115663 554902605 /nfs/dbraw/zinc/90/26/05/554902605.db2.gz AXZIOPLMSWBUII-HKBQPEDESA-N 1 1 459.011 4.883 50 0 JJAAMO CC[N@H+]1CCc2c(CNC(=O)Nc3cc(Cl)ccc3C(=O)OC)c(-n3cccc3)sc2C1 ZINC000009151123 554937069 /nfs/dbraw/zinc/93/70/69/554937069.db2.gz QSDALLWCFVMYOO-UHFFFAOYSA-N 1 1 472.998 4.679 50 0 JJAAMO CC[N@@H+](CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)Cc1ccccc1 ZINC000009151500 554938956 /nfs/dbraw/zinc/93/89/56/554938956.db2.gz UEDNBBJETMAUMQ-UHFFFAOYSA-N 1 1 478.980 4.516 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227835 555001011 /nfs/dbraw/zinc/00/10/11/555001011.db2.gz CKPRCYHFDFEVOD-HSZRJFAPSA-N 1 1 495.668 4.509 50 0 JJAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000009344457 555109826 /nfs/dbraw/zinc/10/98/26/555109826.db2.gz DVAKGWANPZDCGT-UIOOFZCWSA-N 1 1 468.513 4.517 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009345236 555110966 /nfs/dbraw/zinc/11/09/66/555110966.db2.gz LPVGFJHDJXLRJL-JWQCQUIFSA-N 1 1 450.498 4.586 50 0 JJAAMO CC[C@@H](C)[N@@H+](CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)Cc1ccco1 ZINC000009405707 555165133 /nfs/dbraw/zinc/16/51/33/555165133.db2.gz ZEBWYIPWEMOMJO-QGZVFWFLSA-N 1 1 470.639 4.506 50 0 JJAAMO COc1ccc(C[N@H+]2CCCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC2)cc1 ZINC000009415093 555182429 /nfs/dbraw/zinc/18/24/29/555182429.db2.gz NKXOTKALBWASPI-UHFFFAOYSA-N 1 1 471.630 4.963 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433058 555202772 /nfs/dbraw/zinc/20/27/72/555202772.db2.gz MQPFAXFHUBINJK-BJKOFHAPSA-N 1 1 455.668 4.923 50 0 JJAAMO Cc1c[nH+]cn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(Cl)cc3F)n2n1 ZINC000009472234 555255252 /nfs/dbraw/zinc/25/52/52/555255252.db2.gz TXXJRGARRZRJTM-UHFFFAOYSA-N 1 1 495.971 4.548 50 0 JJAAMO Cc1ccc(-c2onc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc32)cc1 ZINC000009528987 555322943 /nfs/dbraw/zinc/32/29/43/555322943.db2.gz DATGZNUXRTVLEF-UHFFFAOYSA-N 1 1 472.564 4.884 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009595596 555412193 /nfs/dbraw/zinc/41/21/93/555412193.db2.gz WUIUAKSEQYCVJC-GOSISDBHSA-N 1 1 487.991 4.751 50 0 JJAAMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000009595596 555412195 /nfs/dbraw/zinc/41/21/95/555412195.db2.gz WUIUAKSEQYCVJC-GOSISDBHSA-N 1 1 487.991 4.751 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c1 ZINC000009596116 555412759 /nfs/dbraw/zinc/41/27/59/555412759.db2.gz ZIGMFDZYRXPOBF-UHFFFAOYSA-N 1 1 479.646 4.685 50 0 JJAAMO CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c1 ZINC000009596116 555412761 /nfs/dbraw/zinc/41/27/61/555412761.db2.gz ZIGMFDZYRXPOBF-UHFFFAOYSA-N 1 1 479.646 4.685 50 0 JJAAMO CC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000009694435 555424804 /nfs/dbraw/zinc/42/48/04/555424804.db2.gz OKTCAOHXJYGKFK-ONVZUXLVSA-N 1 1 480.697 4.506 50 0 JJAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000009731831 555468990 /nfs/dbraw/zinc/46/89/90/555468990.db2.gz PINVECCUNJYJJD-PMACEKPBSA-N 1 1 487.088 5.000 50 0 JJAAMO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019840863 555508578 /nfs/dbraw/zinc/50/85/78/555508578.db2.gz TUKYKSBECMAXTC-UHFFFAOYSA-N 1 1 459.615 4.506 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013592602 555527471 /nfs/dbraw/zinc/52/74/71/555527471.db2.gz YFHSBVRSLHRWAC-QTZVNIFKSA-N 1 1 461.924 4.782 50 0 JJAAMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@H+]2[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000013592602 555527474 /nfs/dbraw/zinc/52/74/74/555527474.db2.gz YFHSBVRSLHRWAC-QTZVNIFKSA-N 1 1 461.924 4.782 50 0 JJAAMO Cc1ccc(NC(=O)c2c(NC(=O)CN3CC[NH+](C)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000019908544 555536440 /nfs/dbraw/zinc/53/64/40/555536440.db2.gz LTHCIDUPZCANBE-LJQANCHMSA-N 1 1 482.694 4.646 50 0 JJAAMO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019911456 555537711 /nfs/dbraw/zinc/53/77/11/555537711.db2.gz DUNVJMUDRYGZSU-UHFFFAOYSA-N 1 1 486.015 4.723 50 0 JJAAMO CC1=C(C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)n2c3ccccc3nc2N1 ZINC000019913896 555539451 /nfs/dbraw/zinc/53/94/51/555539451.db2.gz DBBYSNYVHLSCOA-MHZLTWQESA-N 1 1 463.585 4.670 50 0 JJAAMO CCCC[N@@H+](CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1 ZINC000009847817 555549729 /nfs/dbraw/zinc/54/97/29/555549729.db2.gz YOXYHEXIZZPKAW-UHFFFAOYSA-N 1 1 494.705 4.901 50 0 JJAAMO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)sc2c1 ZINC000009848149 555550246 /nfs/dbraw/zinc/55/02/46/555550246.db2.gz SRRCTFTUYDBELA-IBGZPJMESA-N 1 1 458.672 4.682 50 0 JJAAMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000013730859 555603435 /nfs/dbraw/zinc/60/34/35/555603435.db2.gz NAJJVXRMBOGOPA-UHFFFAOYSA-N 1 1 497.583 4.644 50 0 JJAAMO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3)no2)C4)cc1 ZINC000020168003 555678400 /nfs/dbraw/zinc/67/84/00/555678400.db2.gz XILYDYODFDPVJW-NRFANRHFSA-N 1 1 497.624 4.854 50 0 JJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181219 555687972 /nfs/dbraw/zinc/68/79/72/555687972.db2.gz HBISQAVZEBSZAE-UZXDDYOISA-N 1 1 467.610 4.544 50 0 JJAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181504 555688665 /nfs/dbraw/zinc/68/86/65/555688665.db2.gz MKYFVEHNUALTMY-VZMFNRANSA-N 1 1 489.563 4.786 50 0 JJAAMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000014157520 555715312 /nfs/dbraw/zinc/71/53/12/555715312.db2.gz DFZUWWPKWWVPNK-JOCHJYFZSA-N 1 1 465.619 4.857 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241111 555736535 /nfs/dbraw/zinc/73/65/35/555736535.db2.gz WVTXSMZTLWVHPL-FQEVSTJZSA-N 1 1 475.655 4.671 50 0 JJAAMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000014241002 555742278 /nfs/dbraw/zinc/74/22/78/555742278.db2.gz BLWWTQSIFCHOJA-PXDATVDWSA-N 1 1 454.567 4.947 50 0 JJAAMO Cc1nn2c(nc(C)c(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000020282532 555752464 /nfs/dbraw/zinc/75/24/64/555752464.db2.gz PYWYHLBWWWADKA-UHFFFAOYSA-N 1 1 485.607 4.738 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NC(=O)c2cccc(F)c2)CC1 ZINC000020289747 555761231 /nfs/dbraw/zinc/76/12/31/555761231.db2.gz VSUSTPSHWLVZQP-UUOWRZLLSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)c2cccc(F)c2)CC1 ZINC000020289745 555761306 /nfs/dbraw/zinc/76/13/06/555761306.db2.gz VSUSTPSHWLVZQP-HOYKHHGWSA-N 1 1 453.583 4.578 50 0 JJAAMO CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2sc3c(c2c1=O)CC[N@@H+](C)C3 ZINC000020330402 555775430 /nfs/dbraw/zinc/77/54/30/555775430.db2.gz QQJYHBFLKWSCTG-UHFFFAOYSA-N 1 1 490.654 4.923 50 0 JJAAMO CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2sc3c(c2c1=O)CC[N@H+](C)C3 ZINC000020330402 555775433 /nfs/dbraw/zinc/77/54/33/555775433.db2.gz QQJYHBFLKWSCTG-UHFFFAOYSA-N 1 1 490.654 4.923 50 0 JJAAMO CC[N@@H+](CCCNC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1)Cc1ccccc1 ZINC000020565096 555819567 /nfs/dbraw/zinc/81/95/67/555819567.db2.gz OIBJLWVKAGSBRX-UHFFFAOYSA-N 1 1 489.645 4.868 50 0 JJAAMO COc1cccc2c1OCCC[N@H+]([C@H]1CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC000011786392 555819665 /nfs/dbraw/zinc/81/96/65/555819665.db2.gz AZQRILXNSULZIQ-NRFANRHFSA-N 1 1 462.512 4.880 50 0 JJAAMO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000014535754 555824703 /nfs/dbraw/zinc/82/47/03/555824703.db2.gz ISFCJFNUDYPCSH-XZOQPEGZSA-N 1 1 461.581 4.828 50 0 JJAAMO Cc1csc(C[N@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)n1 ZINC000015000995 555845827 /nfs/dbraw/zinc/84/58/27/555845827.db2.gz GHJPJWRZVONYTF-GOSISDBHSA-N 1 1 468.623 4.594 50 0 JJAAMO COc1cc(/C=C/C[N@H+]2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)ccc1O ZINC000015008641 555852516 /nfs/dbraw/zinc/85/25/16/555852516.db2.gz LLNZFEFBTAHAOJ-TWTZQDPRSA-N 1 1 455.624 4.663 50 0 JJAAMO COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000015008200 555852604 /nfs/dbraw/zinc/85/26/04/555852604.db2.gz OQYBVCKTOFTJOK-GCJKJVERSA-N 1 1 450.476 4.866 50 0 JJAAMO C[N@H+](Cc1cscn1)[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000015008331 555852642 /nfs/dbraw/zinc/85/26/42/555852642.db2.gz KFKDUMFWNIPGIK-LJQANCHMSA-N 1 1 450.633 4.537 50 0 JJAAMO C[N@@H+](Cc1cscn1)[C@@H]1CCc2c(sc3ncn(CCCc4ccccc4)c(=O)c23)C1 ZINC000015008331 555852643 /nfs/dbraw/zinc/85/26/43/555852643.db2.gz KFKDUMFWNIPGIK-LJQANCHMSA-N 1 1 450.633 4.537 50 0 JJAAMO COC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000011909125 555856367 /nfs/dbraw/zinc/85/63/67/555856367.db2.gz DAQSHRMTSUMRCV-XUZZJYLKSA-N 1 1 487.040 4.559 50 0 JJAAMO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000011909125 555856370 /nfs/dbraw/zinc/85/63/70/555856370.db2.gz DAQSHRMTSUMRCV-XUZZJYLKSA-N 1 1 487.040 4.559 50 0 JJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000011909125 555856372 /nfs/dbraw/zinc/85/63/72/555856372.db2.gz DAQSHRMTSUMRCV-XUZZJYLKSA-N 1 1 487.040 4.559 50 0 JJAAMO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@H+](Cc2ccsc2)CC3)c1 ZINC000011910902 555858722 /nfs/dbraw/zinc/85/87/22/555858722.db2.gz PEPWKEQWILDPTJ-QFIPXVFZSA-N 1 1 451.640 4.532 50 0 JJAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030655 555865300 /nfs/dbraw/zinc/86/53/00/555865300.db2.gz MAYXZFYQTUWRPP-OAHLLOKOSA-N 1 1 470.923 4.610 50 0 JJAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015030655 555865302 /nfs/dbraw/zinc/86/53/02/555865302.db2.gz MAYXZFYQTUWRPP-OAHLLOKOSA-N 1 1 470.923 4.610 50 0 JJAAMO O[C@@H](CO[C@H]1CCCc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022039053 555865628 /nfs/dbraw/zinc/86/56/28/555865628.db2.gz DIFYWVGMEXSQHY-PXJZQJOASA-N 1 1 456.630 4.849 50 0 JJAAMO C[N@@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000015071539 555871043 /nfs/dbraw/zinc/87/10/43/555871043.db2.gz QGADNIRAWRSIOO-LJAQVGFWSA-N 1 1 479.628 4.863 50 0 JJAAMO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(NC(=O)C2CCCC2)cc1OC ZINC000015080992 555872594 /nfs/dbraw/zinc/87/25/94/555872594.db2.gz RQOFIKDBWUAXBS-JOCHJYFZSA-N 1 1 468.594 4.621 50 0 JJAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041581 555894116 /nfs/dbraw/zinc/89/41/16/555894116.db2.gz HBOIQOVVUZHOSH-AREMUKBSSA-N 1 1 469.589 4.724 50 0 JJAAMO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015318871 555896993 /nfs/dbraw/zinc/89/69/93/555896993.db2.gz UHJMVOIXJUEBBJ-UWJYYQICSA-N 1 1 470.520 4.764 50 0 JJAAMO O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012062783 555900578 /nfs/dbraw/zinc/90/05/78/555900578.db2.gz OLBDKQSZIVUONR-HYBUGGRVSA-N 1 1 458.489 4.907 50 0 JJAAMO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012133578 555912359 /nfs/dbraw/zinc/91/23/59/555912359.db2.gz BPADUQXFWFOEIS-HHHXNRCGSA-N 1 1 498.631 4.824 50 0 JJAAMO O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000022497360 555930675 /nfs/dbraw/zinc/93/06/75/555930675.db2.gz PBWYVHSCACPXIV-UHFFFAOYSA-N 1 1 467.613 4.550 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccsc1)Sc1ccccc1-2 ZINC000012162772 555931334 /nfs/dbraw/zinc/93/13/34/555931334.db2.gz CBMZHJDZUYEJHJ-CYFREDJKSA-N 1 1 479.671 4.811 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3noc4c3CSc3ccccc3-4)C[C@@H]2C)c1 ZINC000015674053 555932892 /nfs/dbraw/zinc/93/28/92/555932892.db2.gz BGLZYGCKTBUZDJ-IBGZPJMESA-N 1 1 462.619 4.586 50 0 JJAAMO C[N@@H+](CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675681 555934147 /nfs/dbraw/zinc/93/41/47/555934147.db2.gz FYIFQUDRPCFCIL-NDEPHWFRSA-N 1 1 482.669 4.942 50 0 JJAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1OC ZINC000015746404 555984686 /nfs/dbraw/zinc/98/46/86/555984686.db2.gz VWGROHVLAFXQSF-UHFFFAOYSA-N 1 1 467.569 4.877 50 0 JJAAMO CNC(=O)c1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000023042926 556001733 /nfs/dbraw/zinc/00/17/33/556001733.db2.gz UIXYRORUJWDIOI-SANMLTNESA-N 1 1 470.569 4.748 50 0 JJAAMO CNC(=O)c1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 ZINC000023042926 556001736 /nfs/dbraw/zinc/00/17/36/556001736.db2.gz UIXYRORUJWDIOI-SANMLTNESA-N 1 1 470.569 4.748 50 0 JJAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1 ZINC000012548753 556027661 /nfs/dbraw/zinc/02/76/61/556027661.db2.gz XKCYQWJDIIRZNP-UHFFFAOYSA-N 1 1 498.693 4.676 50 0 JJAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023333127 556043424 /nfs/dbraw/zinc/04/34/24/556043424.db2.gz ZDLUJJMVZWHAIW-XMMPIXPASA-N 1 1 457.622 4.948 50 0 JJAAMO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023333127 556043425 /nfs/dbraw/zinc/04/34/25/556043425.db2.gz ZDLUJJMVZWHAIW-XMMPIXPASA-N 1 1 457.622 4.948 50 0 JJAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023333127 556043428 /nfs/dbraw/zinc/04/34/28/556043428.db2.gz ZDLUJJMVZWHAIW-XMMPIXPASA-N 1 1 457.622 4.948 50 0 JJAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000015947162 556084695 /nfs/dbraw/zinc/08/46/95/556084695.db2.gz UBQIRKHVANBIFP-FQEVSTJZSA-N 1 1 469.588 4.844 50 0 JJAAMO O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000023909026 556100734 /nfs/dbraw/zinc/10/07/34/556100734.db2.gz XESDYQLKFOUHJA-LJAQVGFWSA-N 1 1 453.586 4.589 50 0 JJAAMO COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc(OC)c1OCc1ccccc1 ZINC000012736983 556106042 /nfs/dbraw/zinc/10/60/42/556106042.db2.gz ZHOKQLIHVKQETD-QFIPXVFZSA-N 1 1 468.981 4.969 50 0 JJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000023983545 556111452 /nfs/dbraw/zinc/11/14/52/556111452.db2.gz XZIBXSXCLSTGCY-UHFFFAOYSA-N 1 1 484.482 4.826 50 0 JJAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000023983545 556111455 /nfs/dbraw/zinc/11/14/55/556111455.db2.gz XZIBXSXCLSTGCY-UHFFFAOYSA-N 1 1 484.482 4.826 50 0 JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000012864854 556120348 /nfs/dbraw/zinc/12/03/48/556120348.db2.gz SWUSAVNHNHUGGN-MSLLRLGPSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000012864854 556120351 /nfs/dbraw/zinc/12/03/51/556120351.db2.gz SWUSAVNHNHUGGN-MSLLRLGPSA-N 1 1 452.595 4.627 50 0 biogenic JJAAMO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012932684 556148785 /nfs/dbraw/zinc/14/87/85/556148785.db2.gz PEFBEEUTZQVFCX-XMSQKQJNSA-N 1 1 465.619 4.857 50 0 JJAAMO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000024910055 556162854 /nfs/dbraw/zinc/16/28/54/556162854.db2.gz OBJNEZXLEXHLGZ-UHFFFAOYSA-N 1 1 460.626 4.842 50 0 JJAAMO Oc1cc(OCC[NH+]2CCN(c3ccccc3F)CC2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000024986918 556170057 /nfs/dbraw/zinc/17/00/57/556170057.db2.gz VZSYSTMRJQPRQB-UHFFFAOYSA-N 1 1 458.537 4.789 50 0 JJAAMO COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000016891105 556172171 /nfs/dbraw/zinc/17/21/71/556172171.db2.gz JGBBDVWNWNJPPK-HOYKHHGWSA-N 1 1 453.583 4.578 50 0 JJAAMO C[C@@H](NC(=O)c1c(F)cccc1F)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000016891031 556172208 /nfs/dbraw/zinc/17/22/08/556172208.db2.gz HUNCPUYVRHVDSC-MWTRTKDXSA-N 1 1 459.537 4.847 50 0 JJAAMO Cc1cc(C(=O)NCC[C@H]2CCC[N@@H+]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149106 556188792 /nfs/dbraw/zinc/18/87/92/556188792.db2.gz JZRCYJJNOYTVAW-OAQYLSRUSA-N 1 1 457.553 4.749 50 0 JJAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccc(Cl)cc3)cs1)c1ccccc1OC2 ZINC000016957644 556188883 /nfs/dbraw/zinc/18/88/83/556188883.db2.gz NCKKYGLSEXQYJW-LIRRHRJNSA-N 1 1 451.857 4.947 50 0 JJAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(c5ccccc5F)CC3)n2)CCC4)CC1 ZINC000013038842 556238132 /nfs/dbraw/zinc/23/81/32/556238132.db2.gz MCFXFDOWOQDCBW-UHFFFAOYSA-N 1 1 465.642 4.878 50 0 JJAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000013040526 556243954 /nfs/dbraw/zinc/24/39/54/556243954.db2.gz ISMWWOLJFUUQCL-OAHLLOKOSA-N 1 1 455.908 4.654 50 0 JJAAMO C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000013040526 556243958 /nfs/dbraw/zinc/24/39/58/556243958.db2.gz ISMWWOLJFUUQCL-OAHLLOKOSA-N 1 1 455.908 4.654 50 0 JJAAMO CCCCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccc(C)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017270655 556249598 /nfs/dbraw/zinc/24/95/98/556249598.db2.gz GDYOJZSENNGVRD-UHFFFAOYSA-N 1 1 459.594 4.978 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccc(Cl)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000017296947 556252123 /nfs/dbraw/zinc/25/21/23/556252123.db2.gz JYONIPADCOHKHM-XMMPIXPASA-N 1 1 484.980 4.522 50 0 JJAAMO Cc1ccc(-c2noc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000017356600 556259398 /nfs/dbraw/zinc/25/93/98/556259398.db2.gz YTEKLAFANQBROJ-UHFFFAOYSA-N 1 1 466.585 4.911 50 0 JJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000027357626 556276844 /nfs/dbraw/zinc/27/68/44/556276844.db2.gz VMRVTQMCDDYUQC-QFIPXVFZSA-N 1 1 461.587 4.616 50 0 JJAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 ZINC000027357626 556276847 /nfs/dbraw/zinc/27/68/47/556276847.db2.gz VMRVTQMCDDYUQC-QFIPXVFZSA-N 1 1 461.587 4.616 50 0 JJAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000028288864 556328007 /nfs/dbraw/zinc/32/80/07/556328007.db2.gz XUMXSGPCXLJJCK-FQEVSTJZSA-N 1 1 485.378 4.521 50 0 JJAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000019772674 556368755 /nfs/dbraw/zinc/36/87/55/556368755.db2.gz UTHSXJAVECFZRC-RICCYLBVSA-N 1 1 476.661 4.725 50 0 JJAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000019772672 556368857 /nfs/dbraw/zinc/36/88/57/556368857.db2.gz UTHSXJAVECFZRC-FXWJCSGXSA-N 1 1 476.661 4.725 50 0 JJAAMO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019793351 556373102 /nfs/dbraw/zinc/37/31/02/556373102.db2.gz RXHFRSLTVDQORY-UHFFFAOYSA-N 1 1 453.586 4.733 50 0 JJAAMO CSCC(=O)OCCN1CC[NH+]([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000019802471 556378601 /nfs/dbraw/zinc/37/86/01/556378601.db2.gz OUZTUASLHPMBAV-HXUWFJFHSA-N 1 1 463.068 4.612 50 0 JJAAMO COc1c(C)c[nH+]c(CN2CC[NH+]([C@@H](C(=O)[O-])c3c4ccccc4[nH]c3-c3ccccc3)CC2)c1C ZINC000031808745 556405578 /nfs/dbraw/zinc/40/55/78/556405578.db2.gz GLYWENJUFAKNJD-HHHXNRCGSA-N 1 1 484.600 4.799 50 0 JJAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754483 556486995 /nfs/dbraw/zinc/48/69/95/556486995.db2.gz HNTFUVLVCPCYPS-KRWDZBQOSA-N 1 1 454.596 4.636 50 0 JJAAMO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000032754483 556486998 /nfs/dbraw/zinc/48/69/98/556486998.db2.gz HNTFUVLVCPCYPS-KRWDZBQOSA-N 1 1 454.596 4.636 50 0 JJAAMO Clc1cccc(-c2ccc(C[NH+]3CCN(Cc4nc(-c5ccccn5)no4)CC3)s2)c1 ZINC000032928756 556545576 /nfs/dbraw/zinc/54/55/76/556545576.db2.gz VZVPBQDHKFPKHL-UHFFFAOYSA-N 1 1 451.983 4.831 50 0 JJAAMO CC[C@@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590205 562942565 /nfs/dbraw/zinc/94/25/65/562942565.db2.gz WYVNWVLNIMVDCG-GOSISDBHSA-N 1 1 454.596 4.817 50 0 JJAAMO O=C(C[NH2+]Cc1cccnc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 ZINC000057311971 569596337 /nfs/dbraw/zinc/59/63/37/569596337.db2.gz NARUZEBODCRGIA-UHFFFAOYSA-N 1 1 499.434 4.765 50 0 JJAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1Br ZINC000008722394 569598889 /nfs/dbraw/zinc/59/88/89/569598889.db2.gz WWKUUJTVBLPLDF-OAQYLSRUSA-N 1 1 484.419 4.932 50 0 JJAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1Br ZINC000008722394 569598891 /nfs/dbraw/zinc/59/88/91/569598891.db2.gz WWKUUJTVBLPLDF-OAQYLSRUSA-N 1 1 484.419 4.932 50 0 JJAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000059485828 569605299 /nfs/dbraw/zinc/60/52/99/569605299.db2.gz GELYEYDFKDJOCH-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000059485828 569605301 /nfs/dbraw/zinc/60/53/01/569605301.db2.gz GELYEYDFKDJOCH-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 biogenic JJAAMO O=C(c1ccc2c(c1)NC(=O)CCS2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032975604 569606143 /nfs/dbraw/zinc/60/61/43/569606143.db2.gz KFXVFISQZCFEGR-UHFFFAOYSA-N 1 1 457.599 4.668 50 0 JJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)C1 ZINC000032983900 569607111 /nfs/dbraw/zinc/60/71/11/569607111.db2.gz WVEWSNRGMSPVDB-XYLCRUHJSA-N 1 1 453.970 4.564 50 0 JJAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)C1 ZINC000032983899 569607215 /nfs/dbraw/zinc/60/72/15/569607215.db2.gz WVEWSNRGMSPVDB-XMSCMFJESA-N 1 1 453.970 4.564 50 0 JJAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)C1 ZINC000032984011 569607308 /nfs/dbraw/zinc/60/73/08/569607308.db2.gz SJJHYCBGDPWWDB-PGECNJAHSA-N 1 1 453.970 4.564 50 0 JJAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000062369988 569610751 /nfs/dbraw/zinc/61/07/51/569610751.db2.gz UTDCLWMHVLZRFT-NTKDMRAZSA-N 1 1 483.659 4.629 50 0 JJAAMO O=C(C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000062588308 569612192 /nfs/dbraw/zinc/61/21/92/569612192.db2.gz YWQVRFBMYSHEIG-UHFFFAOYSA-N 1 1 486.641 4.869 50 0 JJAAMO O=C(C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)Nc1cccc(CSc2ccccn2)c1 ZINC000062588308 569612193 /nfs/dbraw/zinc/61/21/93/569612193.db2.gz YWQVRFBMYSHEIG-UHFFFAOYSA-N 1 1 486.641 4.869 50 0 JJAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000062674494 569614172 /nfs/dbraw/zinc/61/41/72/569614172.db2.gz YICUEIGENKEXBJ-UHFFFAOYSA-N 1 1 479.536 4.985 50 0 JJAAMO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+](C)C2CCCCC2)C3=O)o1 ZINC000033331901 569624356 /nfs/dbraw/zinc/62/43/56/569624356.db2.gz LHIOUXQAHQYODN-NDEPHWFRSA-N 1 1 482.669 4.861 50 0 JJAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C(F)(F)F)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746056 569625210 /nfs/dbraw/zinc/62/52/10/569625210.db2.gz JVGSLZPGAMQYCE-UHFFFAOYSA-N 1 1 464.561 4.973 50 0 JJAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)c1 ZINC000064802090 569631847 /nfs/dbraw/zinc/63/18/47/569631847.db2.gz UJJUWFYEHHDOHS-UHFFFAOYSA-N 1 1 451.596 4.855 50 0 JJAAMO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC23CCCCC3)cc1 ZINC000033738272 569632980 /nfs/dbraw/zinc/63/29/80/569632980.db2.gz HTTKUAUQGQVBGE-SONWIMMPSA-N 1 1 484.754 4.631 50 0 JJAAMO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000064817005 569634076 /nfs/dbraw/zinc/63/40/76/569634076.db2.gz WNALQLLDKHAXBT-UHFFFAOYSA-N 1 1 481.666 4.837 50 0 JJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034667852 569640577 /nfs/dbraw/zinc/64/05/77/569640577.db2.gz ZITHODFQJXLGJQ-UHFFFAOYSA-N 1 1 458.459 4.814 50 0 JJAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)c(OC)c1 ZINC000034683685 569644451 /nfs/dbraw/zinc/64/44/51/569644451.db2.gz UWXCCWPFHGQEOM-UHFFFAOYSA-N 1 1 484.593 4.703 50 0 JJAAMO COc1cccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)c1OC ZINC000034683660 569644536 /nfs/dbraw/zinc/64/45/36/569644536.db2.gz SENMYIXSSINVCI-UHFFFAOYSA-N 1 1 480.630 4.872 50 0 JJAAMO COc1cc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1O ZINC000034683890 569644752 /nfs/dbraw/zinc/64/47/52/569644752.db2.gz ISPFCULYBXFQHM-UHFFFAOYSA-N 1 1 487.021 4.914 50 0 JJAAMO COc1cccc(N(C2CC[NH+](Cc3ccsc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000034683877 569644823 /nfs/dbraw/zinc/64/48/23/569644823.db2.gz SAYLLUFNZTYYHW-UHFFFAOYSA-N 1 1 456.633 4.925 50 0 JJAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1 ZINC000065055069 569654000 /nfs/dbraw/zinc/65/40/00/569654000.db2.gz ZSAUTHMVYIMCHC-UHFFFAOYSA-N 1 1 480.584 4.907 50 0 JJAAMO CC(C)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)c2)CC1 ZINC000034761746 569657956 /nfs/dbraw/zinc/65/79/56/569657956.db2.gz IBPRMPKINZZAMG-JCMHNJIXSA-N 1 1 484.021 4.743 50 0 JJAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830046 569663557 /nfs/dbraw/zinc/66/35/57/569663557.db2.gz VUNJPARLAWPHDZ-HHHXNRCGSA-N 1 1 479.690 4.727 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830238 569663613 /nfs/dbraw/zinc/66/36/13/569663613.db2.gz ZHSNHDKMAJVTCV-HHHXNRCGSA-N 1 1 481.706 4.891 50 0 JJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000034830531 569663994 /nfs/dbraw/zinc/66/39/94/569663994.db2.gz DKEHJRCHZHMYBD-SIBVEZHUSA-N 1 1 485.669 4.720 50 0 JJAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034925623 569673022 /nfs/dbraw/zinc/67/30/22/569673022.db2.gz YLTSIGBAKSDRNV-DHLKQENFSA-N 1 1 489.582 4.671 50 0 JJAAMO COC(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034925623 569673024 /nfs/dbraw/zinc/67/30/24/569673024.db2.gz YLTSIGBAKSDRNV-DHLKQENFSA-N 1 1 489.582 4.671 50 0 JJAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@H+](C)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000067673422 569688976 /nfs/dbraw/zinc/68/89/76/569688976.db2.gz QZFBVSJZDRYVOW-QGZVFWFLSA-N 1 1 475.980 4.541 50 0 JJAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000067673422 569688978 /nfs/dbraw/zinc/68/89/78/569688978.db2.gz QZFBVSJZDRYVOW-QGZVFWFLSA-N 1 1 475.980 4.541 50 0 JJAAMO COc1ccc(-c2noc(CCCC(=O)NCc3ccccc3C[N@H+]3CCCC[C@H]3C)n2)cc1 ZINC000069950505 569694150 /nfs/dbraw/zinc/69/41/50/569694150.db2.gz RGUDFONAJKRXSE-HXUWFJFHSA-N 1 1 462.594 4.759 50 0 JJAAMO O=C(c1cccc(-c2cc(NC3CCCCC3)ncn2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035511875 569698378 /nfs/dbraw/zinc/69/83/78/569698378.db2.gz YTYREORVIRUSMC-UHFFFAOYSA-N 1 1 455.606 4.846 50 0 JJAAMO C[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562083 569704688 /nfs/dbraw/zinc/70/46/88/569704688.db2.gz ZWEOJWZXYRSMEE-IBGZPJMESA-N 1 1 481.040 4.558 50 0 JJAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000085877440 569716024 /nfs/dbraw/zinc/71/60/24/569716024.db2.gz QYOCZGINUVALFF-HDYLNDSGSA-N 1 1 465.682 4.966 50 0 biogenic JJAAMO CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871435 569718704 /nfs/dbraw/zinc/71/87/04/569718704.db2.gz QSOSOQCWOHHERG-POCHDABASA-N 1 1 463.519 4.622 50 0 JJAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871430 569718768 /nfs/dbraw/zinc/71/87/68/569718768.db2.gz OLEFIVVIZBOOFM-ISKFKSNPSA-N 1 1 487.497 4.617 50 0 JJAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871983 569719078 /nfs/dbraw/zinc/71/90/78/569719078.db2.gz NLHFZAPXSSZYHM-LADGPHEKSA-N 1 1 475.530 4.766 50 0 JJAAMO CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N2CC[NH+](CC)CC2)Cc2ccco2)n1 ZINC000095537714 569725992 /nfs/dbraw/zinc/72/59/92/569725992.db2.gz NLBLWVMCTGVCJJ-UHFFFAOYSA-N 1 1 490.435 4.653 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2ccccc2F)CC1 ZINC000095544452 569726803 /nfs/dbraw/zinc/72/68/03/569726803.db2.gz IPUNWOFBCYLYCJ-UHFFFAOYSA-N 1 1 467.614 4.600 50 0 JJAAMO COc1ccc(-c2nc3ccc(-c4cc(C)ccc4C)cn3c2C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000095597822 569727788 /nfs/dbraw/zinc/72/77/88/569727788.db2.gz AHAWDFKYCNEKKX-UHFFFAOYSA-N 1 1 468.601 4.958 50 0 JJAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000096839813 569743387 /nfs/dbraw/zinc/74/33/87/569743387.db2.gz JQJFQYLMZYOMQT-UHFFFAOYSA-N 1 1 487.673 4.873 50 0 JJAAMO COc1cccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2ccccc2C)c1 ZINC000036041054 569753712 /nfs/dbraw/zinc/75/37/12/569753712.db2.gz FRGWRLPHNXZGFJ-VWLOTQADSA-N 1 1 460.574 4.550 50 0 JJAAMO COc1cccc(C(=O)NC[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2ccccc2C)c1 ZINC000036041054 569753713 /nfs/dbraw/zinc/75/37/13/569753713.db2.gz FRGWRLPHNXZGFJ-VWLOTQADSA-N 1 1 460.574 4.550 50 0 JJAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043088 569754687 /nfs/dbraw/zinc/75/46/87/569754687.db2.gz JDMVDZFRSMFIBY-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2[C@@H](C)NC(=O)c2ccc(C)cc2)c1 ZINC000036043088 569754689 /nfs/dbraw/zinc/75/46/89/569754689.db2.gz JDMVDZFRSMFIBY-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2Cc2cccc(C)c2)cc1 ZINC000036043145 569754733 /nfs/dbraw/zinc/75/47/33/569754733.db2.gz RYPSGJNFCMQBTA-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000036043145 569754735 /nfs/dbraw/zinc/75/47/35/569754735.db2.gz RYPSGJNFCMQBTA-PIIWDFAUSA-N 1 1 474.601 4.939 50 0 JJAAMO CC[C@@H](NC(=O)NC(C)(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(F)cc1 ZINC000036048483 569756053 /nfs/dbraw/zinc/75/60/53/569756053.db2.gz NDQCCZHVDTVBFU-QPPBQGQZSA-N 1 1 457.590 4.819 50 0 JJAAMO CC[C@@H](NC(=O)NC(C)(C)C)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(F)cc1 ZINC000036048483 569756054 /nfs/dbraw/zinc/75/60/54/569756054.db2.gz NDQCCZHVDTVBFU-QPPBQGQZSA-N 1 1 457.590 4.819 50 0 JJAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000036249903 569758061 /nfs/dbraw/zinc/75/80/61/569758061.db2.gz WKQZHYLVQJTJJC-RUZDIDTESA-N 1 1 491.632 4.894 50 0 JJAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@@H](O)COC(C)C ZINC000036249924 569758165 /nfs/dbraw/zinc/75/81/65/569758165.db2.gz RCEFHVSDNNWHHE-XMMPIXPASA-N 1 1 473.658 4.735 50 0 JJAAMO C[C@H](NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000036311071 569759335 /nfs/dbraw/zinc/75/93/35/569759335.db2.gz QNGWVIIJKSBQDD-CYFREDJKSA-N 1 1 468.642 4.576 50 0 JJAAMO C[C@@H](NC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000036311073 569759479 /nfs/dbraw/zinc/75/94/79/569759479.db2.gz QNGWVIIJKSBQDD-DVECYGJZSA-N 1 1 468.642 4.576 50 0 JJAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(C)c1 ZINC000036312206 569760154 /nfs/dbraw/zinc/76/01/54/569760154.db2.gz LTGUUCTYMHENEA-UHFFFAOYSA-N 1 1 450.558 4.593 50 0 JJAAMO CC(C)CCN(Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1F ZINC000036313484 569760875 /nfs/dbraw/zinc/76/08/75/569760875.db2.gz XBDZAAQWYFSEDS-UHFFFAOYSA-N 1 1 464.585 4.921 50 0 JJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036313695 569760909 /nfs/dbraw/zinc/76/09/09/569760909.db2.gz SKQMKGWUWFFAPC-XMMPIXPASA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036313695 569760910 /nfs/dbraw/zinc/76/09/10/569760910.db2.gz SKQMKGWUWFFAPC-XMMPIXPASA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313676 569760924 /nfs/dbraw/zinc/76/09/24/569760924.db2.gz PQFCFFKYJVGMJQ-XMMPIXPASA-N 1 1 481.637 4.853 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036313676 569760925 /nfs/dbraw/zinc/76/09/25/569760925.db2.gz PQFCFFKYJVGMJQ-XMMPIXPASA-N 1 1 481.637 4.853 50 0 JJAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC ZINC000036316159 569762138 /nfs/dbraw/zinc/76/21/38/569762138.db2.gz AQQHIFKNUKJYAQ-HXUWFJFHSA-N 1 1 459.537 4.767 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3)C2)cc1C ZINC000036341579 569764722 /nfs/dbraw/zinc/76/47/22/569764722.db2.gz HBAGYLFVMNEBNL-LJAQVGFWSA-N 1 1 466.629 4.799 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342036 569765215 /nfs/dbraw/zinc/76/52/15/569765215.db2.gz JEPNHJWGMWYHGQ-HSZRJFAPSA-N 1 1 455.574 4.968 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343889 569766482 /nfs/dbraw/zinc/76/64/82/569766482.db2.gz ONHBUFLKENXNKR-CPJSRVTESA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccccc2Cl)C1 ZINC000036343889 569766483 /nfs/dbraw/zinc/76/64/83/569766483.db2.gz ONHBUFLKENXNKR-CPJSRVTESA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343571 569766566 /nfs/dbraw/zinc/76/65/66/569766566.db2.gz VXNUMECSIIJYMM-BVAGGSTKSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(C)cc2)C1 ZINC000036343571 569766567 /nfs/dbraw/zinc/76/65/67/569766567.db2.gz VXNUMECSIIJYMM-BVAGGSTKSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344559 569767031 /nfs/dbraw/zinc/76/70/31/569767031.db2.gz JALBQOLKFRZUGD-CPJSRVTESA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cc(C)ccc2C)C1 ZINC000036344559 569767032 /nfs/dbraw/zinc/76/70/32/569767032.db2.gz JALBQOLKFRZUGD-CPJSRVTESA-N 1 1 482.024 4.910 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2C)C1 ZINC000036344989 569767646 /nfs/dbraw/zinc/76/76/46/569767646.db2.gz CEQOOMQQHNFNRR-GJZUVCINSA-N 1 1 461.606 4.565 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2C)C1 ZINC000036344989 569767648 /nfs/dbraw/zinc/76/76/48/569767648.db2.gz CEQOOMQQHNFNRR-GJZUVCINSA-N 1 1 461.606 4.565 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000036346148 569768932 /nfs/dbraw/zinc/76/89/32/569768932.db2.gz PVIPBCROOWJOCI-RUZDIDTESA-N 1 1 481.637 4.763 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COCC(C)C ZINC000036346148 569768934 /nfs/dbraw/zinc/76/89/34/569768934.db2.gz PVIPBCROOWJOCI-RUZDIDTESA-N 1 1 481.637 4.763 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346647 569770413 /nfs/dbraw/zinc/77/04/13/569770413.db2.gz FCNXEOXGCVEIPT-JOCHJYFZSA-N 1 1 459.537 4.859 50 0 JJAAMO CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000037379723 569784876 /nfs/dbraw/zinc/78/48/76/569784876.db2.gz YZYUWKSWEFHUPT-UHFFFAOYSA-N 1 1 464.614 4.989 50 0 JJAAMO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546472 569803100 /nfs/dbraw/zinc/80/31/00/569803100.db2.gz NZRDTZANLANANH-HSZRJFAPSA-N 1 1 469.607 4.510 50 0 JJAAMO CCc1cc([C@H](c2cccc(OC)c2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546479 569803152 /nfs/dbraw/zinc/80/31/52/569803152.db2.gz PATFFXOJEJINOK-QFIPXVFZSA-N 1 1 469.607 4.510 50 0 JJAAMO COc1cccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c1 ZINC000038546490 569803262 /nfs/dbraw/zinc/80/32/62/569803262.db2.gz AXYUKXJQUMJCLC-DEOSSOPVSA-N 1 1 465.619 4.818 50 0 JJAAMO O=C(CCN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000040024986 569814328 /nfs/dbraw/zinc/81/43/28/569814328.db2.gz NCIJCESLIQRKSL-FMIVXFBMSA-N 1 1 453.586 4.577 50 0 JJAAMO COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)n2)c1 ZINC000040082108 569815821 /nfs/dbraw/zinc/81/58/21/569815821.db2.gz NJFFEGHPNAQWNZ-IRXDYDNUSA-N 1 1 467.591 4.689 50 0 JJAAMO Cc1ccc(-n2cnnc2SCC(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1C ZINC000040090757 569816144 /nfs/dbraw/zinc/81/61/44/569816144.db2.gz XULLMGUWKCKDPW-QFIPXVFZSA-N 1 1 470.042 4.583 50 0 JJAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@H](C)c3ccc(NS(C)(=O)=O)cc3)c2c1C ZINC000040149315 569818822 /nfs/dbraw/zinc/81/88/22/569818822.db2.gz NPHZJGNYNZAAFD-MRXNPFEDSA-N 1 1 473.668 4.839 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355780 569823994 /nfs/dbraw/zinc/82/39/94/569823994.db2.gz GTLIGFISDVTFMA-CYBMUJFWSA-N 1 1 455.411 4.697 50 0 JJAAMO COc1ccccc1-c1nn2c(nc(C[N@H+](Cc3ccc(F)cc3)CC(C)C)cc2=O)s1 ZINC000046032220 569842976 /nfs/dbraw/zinc/84/29/76/569842976.db2.gz OYFJOWPDNPKQRC-UHFFFAOYSA-N 1 1 452.555 4.624 50 0 JJAAMO CC[C@H]1C[N@@H+](CCC(=O)N[C@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000104452781 569845726 /nfs/dbraw/zinc/84/57/26/569845726.db2.gz GQKLYLYPZABQGU-NEKDWFFYSA-N 1 1 459.590 4.668 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984564 569848505 /nfs/dbraw/zinc/84/85/05/569848505.db2.gz LRGYSYKCDRFIPL-ILBGXUMGSA-N 1 1 468.956 4.914 50 0 JJAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984564 569848506 /nfs/dbraw/zinc/84/85/06/569848506.db2.gz LRGYSYKCDRFIPL-ILBGXUMGSA-N 1 1 468.956 4.914 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104984343 569848526 /nfs/dbraw/zinc/84/85/26/569848526.db2.gz DRPLKBLLTJQTMB-JWQCQUIFSA-N 1 1 462.565 4.878 50 0 JJAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000104984343 569848527 /nfs/dbraw/zinc/84/85/27/569848527.db2.gz DRPLKBLLTJQTMB-JWQCQUIFSA-N 1 1 462.565 4.878 50 0 JJAAMO C[C@H]1CCc2c(sc3nc(C[N@@H+](C[C@@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000104988396 569848764 /nfs/dbraw/zinc/84/87/64/569848764.db2.gz XMOWRIKPWSDFRI-SIKLNZKXSA-N 1 1 495.689 4.822 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000105001275 569848929 /nfs/dbraw/zinc/84/89/29/569848929.db2.gz UJQVRBFYZCWNHZ-NOZRDPDXSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000105001275 569848931 /nfs/dbraw/zinc/84/89/31/569848931.db2.gz UJQVRBFYZCWNHZ-NOZRDPDXSA-N 1 1 497.611 4.745 50 0 JJAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000052606437 569852488 /nfs/dbraw/zinc/85/24/88/569852488.db2.gz CJAZCUXERDFHCT-PXNSSMCTSA-N 1 1 460.525 4.596 50 0 JJAAMO O=C(NC1CC1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000052606437 569852489 /nfs/dbraw/zinc/85/24/89/569852489.db2.gz CJAZCUXERDFHCT-PXNSSMCTSA-N 1 1 460.525 4.596 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000169677621 569868793 /nfs/dbraw/zinc/86/87/93/569868793.db2.gz YKBSAKYVPVDQGO-VPUSJEBWSA-N 1 1 495.019 4.922 50 0 JJAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169677756 569868930 /nfs/dbraw/zinc/86/89/30/569868930.db2.gz FGZPFPWWKCLIKZ-QPPBQGQZSA-N 1 1 475.530 4.766 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000169679584 569869890 /nfs/dbraw/zinc/86/98/90/569869890.db2.gz FPSPMIXGABTZRW-JYFHCDHNSA-N 1 1 478.658 4.569 50 0 JJAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000169681579 569870783 /nfs/dbraw/zinc/87/07/83/569870783.db2.gz LWOWHYDKQFPAKV-RPLLCQBOSA-N 1 1 492.685 4.877 50 0 JJAAMO c1ccc(CC2CC[NH+](Cc3nnc4cc(-c5nc(-c6ccccc6)no5)ccn43)CC2)cc1 ZINC000169777120 569872501 /nfs/dbraw/zinc/87/25/01/569872501.db2.gz VXFSQEYRDMHDGI-UHFFFAOYSA-N 1 1 450.546 4.901 50 0 JJAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229708595 570041195 /nfs/dbraw/zinc/04/11/95/570041195.db2.gz MXEARARUYSRHEG-ZIAGYGMSSA-N 1 1 451.880 4.608 50 0 JJAAMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000229708595 570041196 /nfs/dbraw/zinc/04/11/96/570041196.db2.gz MXEARARUYSRHEG-ZIAGYGMSSA-N 1 1 451.880 4.608 50 0 JJAAMO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230079593 570044578 /nfs/dbraw/zinc/04/45/78/570044578.db2.gz QJLGNTINFPMPTL-RBUKOAKNSA-N 1 1 455.649 4.745 50 0 JJAAMO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230079593 570044579 /nfs/dbraw/zinc/04/45/79/570044579.db2.gz QJLGNTINFPMPTL-RBUKOAKNSA-N 1 1 455.649 4.745 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076702 570044584 /nfs/dbraw/zinc/04/45/84/570044584.db2.gz MQPFAXFHUBINJK-RPWUZVMVSA-N 1 1 455.668 4.923 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228586 570055719 /nfs/dbraw/zinc/05/57/19/570055719.db2.gz UVCLAYHRSLJRSQ-FUFSCUOVSA-N 1 1 478.681 4.959 50 0 JJAAMO C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000245238092 570057367 /nfs/dbraw/zinc/05/73/67/570057367.db2.gz RDHGANXPSWXRPB-RTBURBONSA-N 1 1 473.061 4.690 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000245240542 570058165 /nfs/dbraw/zinc/05/81/65/570058165.db2.gz PZKXVMUUWQJJGR-AOWXIACESA-N 1 1 482.669 4.798 50 0 JJAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245279480 570061460 /nfs/dbraw/zinc/06/14/60/570061460.db2.gz GAHRJGDKGFFICR-FGZHOGPDSA-N 1 1 486.012 4.615 50 0 JJAAMO COC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245279480 570061462 /nfs/dbraw/zinc/06/14/62/570061462.db2.gz GAHRJGDKGFFICR-FGZHOGPDSA-N 1 1 486.012 4.615 50 0 JJAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000245326487 570064721 /nfs/dbraw/zinc/06/47/21/570064721.db2.gz FIZHXPKOFMSLRV-AVRWGWEMSA-N 1 1 497.661 4.659 50 0 JJAAMO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](CCC(C)C)C[C@H](C)O)c(C)c1 ZINC000245330122 570066615 /nfs/dbraw/zinc/06/66/15/570066615.db2.gz XHBHCFTYTJAZIQ-JTHBVZDNSA-N 1 1 458.668 4.599 50 0 JJAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000245330435 570066737 /nfs/dbraw/zinc/06/67/37/570066737.db2.gz YNUDKDOMOIZYGL-VXKWHMMOSA-N 1 1 467.683 4.615 50 0 JJAAMO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NC[C@H]1CCCO1 ZINC000247744113 570069223 /nfs/dbraw/zinc/06/92/23/570069223.db2.gz QAGZJFUVNPAQSD-GGXMVOPNSA-N 1 1 456.586 4.508 50 0 JJAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c(C)c1 ZINC000247991826 570072289 /nfs/dbraw/zinc/07/22/89/570072289.db2.gz KTWXQZDGZBJLQW-DEOSSOPVSA-N 1 1 473.665 4.795 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000248047128 570073221 /nfs/dbraw/zinc/07/32/21/570073221.db2.gz XNFRTBQDIRKQFD-AOYPEHQESA-N 1 1 478.564 4.578 50 0 JJAAMO CCc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)CC1 ZINC000248149860 570075406 /nfs/dbraw/zinc/07/54/06/570075406.db2.gz GQXWMXPXNPSPDP-UHFFFAOYSA-N 1 1 473.665 4.740 50 0 JJAAMO O=C(Cc1ccc(N2CCC([N@H+]3CCOc4ccccc4C3)CC2)cc1)NCCc1cccc(F)c1 ZINC000299761922 570174653 /nfs/dbraw/zinc/17/46/53/570174653.db2.gz BTZQJBRVZAAHRP-UHFFFAOYSA-N 1 1 487.619 4.591 50 0 JJAAMO NC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000002974877 194190728 /nfs/dbraw/zinc/19/07/28/194190728.db2.gz KONZCFCPZMYNFA-UHFFFAOYSA-N 1 1 476.378 4.552 50 0 JJAAMO Fc1ccc(-c2nnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc32)cc1F ZINC000003210985 194239565 /nfs/dbraw/zinc/23/95/65/194239565.db2.gz NUZVBTCJMUJCGJ-UHFFFAOYSA-N 1 1 460.484 4.626 50 0 JJAAMO O[C@@H](C[NH2+][C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)COCc1ccccc1Cl ZINC000003384457 194310234 /nfs/dbraw/zinc/31/02/34/194310234.db2.gz XXQWZBFUXUOENV-UPVQGACJSA-N 1 1 463.965 4.841 50 0 JJAAMO CC[N@@H+](CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Cc1cccc(C)c1 ZINC000003645933 194348520 /nfs/dbraw/zinc/34/85/20/194348520.db2.gz BXDHIUJYXYNZKE-UHFFFAOYSA-N 1 1 477.678 4.630 50 0 JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccccc1 ZINC000003647331 194348763 /nfs/dbraw/zinc/34/87/63/194348763.db2.gz GSNIHUCACCMHKJ-JOCHJYFZSA-N 1 1 463.559 4.783 50 0 JJAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccccc1 ZINC000003647331 194348764 /nfs/dbraw/zinc/34/87/64/194348764.db2.gz GSNIHUCACCMHKJ-JOCHJYFZSA-N 1 1 463.559 4.783 50 0 JJAAMO CCOc1ccc2nc(NC(=O)C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)sc2c1 ZINC000009071846 194520567 /nfs/dbraw/zinc/52/05/67/194520567.db2.gz JBEZMVXWAUFAOP-UHFFFAOYSA-N 1 1 466.607 4.601 50 0 JJAAMO Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000012643984 195073008 /nfs/dbraw/zinc/07/30/08/195073008.db2.gz JNVSLEDOXRDXEY-UHFFFAOYSA-N 1 1 457.018 4.580 50 0 JJAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c2ccccc2)cc1C ZINC000012795594 195135681 /nfs/dbraw/zinc/13/56/81/195135681.db2.gz VBADYENAHQRBSD-DEOSSOPVSA-N 1 1 456.995 4.678 50 0 JJAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c2ccccc2)cc1C ZINC000012795599 195135707 /nfs/dbraw/zinc/13/57/07/195135707.db2.gz VBADYENAHQRBSD-XMMPIXPASA-N 1 1 456.995 4.678 50 0 JJAAMO CN(C(=O)C[NH2+][C@H](c1cccs1)c1ccccc1)c1ccccc1C(=O)NCc1ccco1 ZINC000012807834 195142787 /nfs/dbraw/zinc/14/27/87/195142787.db2.gz IEWHVLJMZQVOIZ-VWLOTQADSA-N 1 1 459.571 4.613 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c2c[nH]c3ccccc32)cc1 ZINC000012809818 195143811 /nfs/dbraw/zinc/14/38/11/195143811.db2.gz JGJAPDZNANKUCL-HHHXNRCGSA-N 1 1 481.596 4.920 50 0 JJAAMO COc1ccc([C@@H](CNC(=O)C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c2c[nH]c3ccccc32)cc1 ZINC000012809818 195143814 /nfs/dbraw/zinc/14/38/14/195143814.db2.gz JGJAPDZNANKUCL-HHHXNRCGSA-N 1 1 481.596 4.920 50 0 JJAAMO COc1cccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CO4)c1 ZINC000020762188 195218661 /nfs/dbraw/zinc/21/86/61/195218661.db2.gz XQWCWYBHNSIZOT-SQJMNOBHSA-N 1 1 460.574 4.885 50 0 biogenic JJAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000020927258 195249384 /nfs/dbraw/zinc/24/93/84/195249384.db2.gz RBIGYPQKBFDESK-UHFFFAOYSA-N 1 1 463.376 4.750 50 0 JJAAMO CCN(Cc1ccccc1)C(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000020999502 195265391 /nfs/dbraw/zinc/26/53/91/195265391.db2.gz HOSPRNNZXVJUBN-AHKZPQOWSA-N 1 1 484.084 4.692 50 0 JJAAMO CCN(Cc1ccccc1)C(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000020999502 195265393 /nfs/dbraw/zinc/26/53/93/195265393.db2.gz HOSPRNNZXVJUBN-AHKZPQOWSA-N 1 1 484.084 4.692 50 0 JJAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@H+]3CCc4ccccc4C3)cc1CC2 ZINC000021043324 195270986 /nfs/dbraw/zinc/27/09/86/195270986.db2.gz ZFSQTLZDSACOGT-UHFFFAOYSA-N 1 1 468.626 4.796 50 0 JJAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc1CC2 ZINC000021043324 195270983 /nfs/dbraw/zinc/27/09/83/195270983.db2.gz ZFSQTLZDSACOGT-UHFFFAOYSA-N 1 1 468.626 4.796 50 0 JJAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(SC)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098311 195276063 /nfs/dbraw/zinc/27/60/63/195276063.db2.gz OASVFVOPJXGMRO-VWLOTQADSA-N 1 1 496.629 4.590 50 0 aggregator JJAAMO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)c2)c1 ZINC000021224250 195291412 /nfs/dbraw/zinc/29/14/12/195291412.db2.gz HZIQMUUYQBTWTC-DEOSSOPVSA-N 1 1 481.618 4.654 50 0 JJAAMO Fc1ccccc1[C@H](NCCC[NH+]1CCN(c2ccccc2F)CC1)c1nnc(-c2ccccc2)o1 ZINC000021538382 195312519 /nfs/dbraw/zinc/31/25/19/195312519.db2.gz HJQCKVPVUAIKPL-SANMLTNESA-N 1 1 489.570 4.906 50 0 JJAAMO O=C(c1ccccc1)c1c[nH+]c2cc3c(cc2c1N1CCN(c2ccc(F)cc2)CC1)OCO3 ZINC000021522511 195303584 /nfs/dbraw/zinc/30/35/84/195303584.db2.gz LECKNDMMZRDJFH-UHFFFAOYSA-N 1 1 455.489 4.660 50 0 JJAAMO COc1ccc(-c2noc(C[NH+]3CCC(C(=O)N(Cc4ccco4)C4CCCC4)CC3)n2)cc1OC ZINC000021531465 195309695 /nfs/dbraw/zinc/30/96/95/195309695.db2.gz FTSZAQZYIPMZHH-UHFFFAOYSA-N 1 1 494.592 4.530 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)n2)cc1OC ZINC000021531458 195309756 /nfs/dbraw/zinc/30/97/56/195309756.db2.gz VQLRYDPPPAVRJM-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(C)c(Cl)c4)C3)n2)cc1OC ZINC000021531458 195309759 /nfs/dbraw/zinc/30/97/59/195309759.db2.gz VQLRYDPPPAVRJM-KRWDZBQOSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1cc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c(C)cc1C ZINC000021794825 195322221 /nfs/dbraw/zinc/32/22/21/195322221.db2.gz DFSQGRVWCMZNHP-UHFFFAOYSA-N 1 1 467.595 4.555 50 0 JJAAMO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c3C)cc1OCC ZINC000021913955 195331705 /nfs/dbraw/zinc/33/17/05/195331705.db2.gz PQQAZTGWCSEKOS-IBGZPJMESA-N 1 1 493.652 4.805 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)C[C@@H]2C)c1 ZINC000021934654 195335906 /nfs/dbraw/zinc/33/59/06/195335906.db2.gz DNAOJOAECSRQIU-QHCPKHFHSA-N 1 1 479.628 4.936 50 0 JJAAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000058160090 195368508 /nfs/dbraw/zinc/36/85/08/195368508.db2.gz XHZQYLSSWLZLOU-QHCPKHFHSA-N 1 1 474.630 4.973 50 0 JJAAMO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000058160090 195368510 /nfs/dbraw/zinc/36/85/10/195368510.db2.gz XHZQYLSSWLZLOU-QHCPKHFHSA-N 1 1 474.630 4.973 50 0 JJAAMO COc1ccc(CC[C@]2(C)NC(=O)N(C[N@@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000058169948 195370509 /nfs/dbraw/zinc/37/05/09/195370509.db2.gz HTIWMWPYPKXARI-SQHAQQRYSA-N 1 1 465.594 4.522 50 0 JJAAMO COc1ccc(CC[C@]2(C)NC(=O)N(C[N@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000058169948 195370512 /nfs/dbraw/zinc/37/05/12/195370512.db2.gz HTIWMWPYPKXARI-SQHAQQRYSA-N 1 1 465.594 4.522 50 0 JJAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(OC)c(OC)c2)CC1 ZINC000096276740 130015383 /nfs/dbraw/zinc/01/53/83/130015383.db2.gz KTCGDWNDSDIVBX-LJQANCHMSA-N 1 1 455.986 4.525 50 0 JJAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000036149170 519717880 /nfs/dbraw/zinc/71/78/80/519717880.db2.gz DNCFBJSHZFZPON-VWLOTQADSA-N 1 1 463.622 4.978 50 0 JJAAMO CC(C)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@@H](O)COC(C)(C)C ZINC000036206127 519718752 /nfs/dbraw/zinc/71/87/52/519718752.db2.gz JFGLUXMOVLYNAN-GOSISDBHSA-N 1 1 478.058 4.939 50 0 JJAAMO CC(C)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@@H](O)COC(C)(C)C ZINC000036206127 519718754 /nfs/dbraw/zinc/71/87/54/519718754.db2.gz JFGLUXMOVLYNAN-GOSISDBHSA-N 1 1 478.058 4.939 50 0 JJAAMO CC(C)COC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206186 519757347 /nfs/dbraw/zinc/75/73/47/519757347.db2.gz BHHZCLGCVWRDIT-GOSISDBHSA-N 1 1 464.031 4.549 50 0 JJAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206186 519757348 /nfs/dbraw/zinc/75/73/48/519757348.db2.gz BHHZCLGCVWRDIT-GOSISDBHSA-N 1 1 464.031 4.549 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036304475 520095255 /nfs/dbraw/zinc/09/52/55/520095255.db2.gz JFDGWYCSRWECLC-REWPJTCUSA-N 1 1 467.610 4.980 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036206528 520095777 /nfs/dbraw/zinc/09/57/77/520095777.db2.gz ZWOWJMJGLNUWEZ-FQEVSTJZSA-N 1 1 469.651 4.801 50 0 JJAAMO CCCCOc1ccc(C(=O)N2CCN(c3nc(Nc4ccc(OC)cc4)cc(C)[nH+]3)CC2)cc1 ZINC000017270660 520864737 /nfs/dbraw/zinc/86/47/37/520864737.db2.gz SHHBOYGKJPXITR-UHFFFAOYSA-N 1 1 475.593 4.679 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccco1 ZINC000036208299 520937855 /nfs/dbraw/zinc/93/78/55/520937855.db2.gz CEJAWFGBQQXGJQ-QFIPXVFZSA-N 1 1 479.577 4.954 50 0 JJAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@H+](Cc1ccco1)C[C@H](O)COCc1ccco1 ZINC000036208299 520937866 /nfs/dbraw/zinc/93/78/66/520937866.db2.gz CEJAWFGBQQXGJQ-QFIPXVFZSA-N 1 1 479.577 4.954 50 0 JJAAMO CC[N@@H+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccccc1 ZINC000020508773 521023342 /nfs/dbraw/zinc/02/33/42/521023342.db2.gz RZHLWUASSMSXJC-UHFFFAOYSA-N 1 1 469.585 4.641 50 0 JJAAMO CCOc1ccccc1NC(=O)N1CC[NH+](CCn2c(-c3ccc(C)cc3)nc3cccnc32)CC1 ZINC000033139735 521538834 /nfs/dbraw/zinc/53/88/34/521538834.db2.gz TVRKFSWUGIXCDV-UHFFFAOYSA-N 1 1 484.604 4.655 50 0 JJAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000046007467 521629754 /nfs/dbraw/zinc/62/97/54/521629754.db2.gz BBQSFLWFUZFLLM-UHFFFAOYSA-N 1 1 466.582 4.710 50 0 JJAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036303388 521680264 /nfs/dbraw/zinc/68/02/64/521680264.db2.gz OZBRFWWTUKXIOF-JOCHJYFZSA-N 1 1 497.636 4.854 50 0 JJAAMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268833 521684184 /nfs/dbraw/zinc/68/41/84/521684184.db2.gz FTNBUSACRSYMPS-UHFFFAOYSA-N 1 1 479.602 4.861 50 0 JJAAMO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)CC1 ZINC000038546585 521695341 /nfs/dbraw/zinc/69/53/41/521695341.db2.gz LJFXPIZUYJMDSO-QHCPKHFHSA-N 1 1 450.608 4.594 50 0 JJAAMO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@H+](C1CCN(C(C)=O)CC1)C2 ZINC000014879782 521910316 /nfs/dbraw/zinc/91/03/16/521910316.db2.gz SRWMHCSPLTWYAW-UHFFFAOYSA-N 1 1 483.918 4.635 50 0 JJAAMO COC(=O)c1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000013811447 522173887 /nfs/dbraw/zinc/17/38/87/522173887.db2.gz YMUHAPPTWJGBMC-IZZNHLLZSA-N 1 1 480.524 4.594 50 0 JJAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036303569 522400552 /nfs/dbraw/zinc/40/05/52/522400552.db2.gz GAHRJGDKGFFICR-VXKWHMMOSA-N 1 1 486.012 4.615 50 0 JJAAMO COC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036303569 522400559 /nfs/dbraw/zinc/40/05/59/522400559.db2.gz GAHRJGDKGFFICR-VXKWHMMOSA-N 1 1 486.012 4.615 50 0 JJAAMO C[N@@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)C1CCCCC1 ZINC000021864189 522744633 /nfs/dbraw/zinc/74/46/33/522744633.db2.gz BCGJPMQDBQEONH-NDEPHWFRSA-N 1 1 480.653 4.676 50 0 JJAAMO C[N@@H+](CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021808498 522821974 /nfs/dbraw/zinc/82/19/74/522821974.db2.gz JBBVXPOYANLXAO-AREMUKBSSA-N 1 1 470.683 4.631 50 0 JJAAMO C[N@@H+](CCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000033255190 522846208 /nfs/dbraw/zinc/84/62/08/522846208.db2.gz RPDMXVYCKDXYGJ-UHFFFAOYSA-N 1 1 474.605 4.581 50 0 JJAAMO CCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000022697025 523139615 /nfs/dbraw/zinc/13/96/15/523139615.db2.gz NFVICDVJBNJDSW-XMMPIXPASA-N 1 1 455.961 4.586 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)c4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036205937 523173885 /nfs/dbraw/zinc/17/38/85/523173885.db2.gz LXNNJEXLYVHMLR-FQEVSTJZSA-N 1 1 479.602 4.613 50 0 JJAAMO COc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)c4ccccc4)C(C)C)nc(=O)c23)cc1OC ZINC000036205937 523173898 /nfs/dbraw/zinc/17/38/98/523173898.db2.gz LXNNJEXLYVHMLR-FQEVSTJZSA-N 1 1 479.602 4.613 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307459 523735078 /nfs/dbraw/zinc/73/50/78/523735078.db2.gz ZYFWGPVEVYITKH-QFIPXVFZSA-N 1 1 485.600 4.643 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036304356 523737300 /nfs/dbraw/zinc/73/73/00/523737300.db2.gz JCEHSLAGGWNSRQ-QHCPKHFHSA-N 1 1 497.636 4.606 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036304356 523737303 /nfs/dbraw/zinc/73/73/03/523737303.db2.gz JCEHSLAGGWNSRQ-QHCPKHFHSA-N 1 1 497.636 4.606 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036304675 523738715 /nfs/dbraw/zinc/73/87/15/523738715.db2.gz LBHPNJWJXAFWND-VWLOTQADSA-N 1 1 481.637 4.763 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036304675 523738724 /nfs/dbraw/zinc/73/87/24/523738724.db2.gz LBHPNJWJXAFWND-VWLOTQADSA-N 1 1 481.637 4.763 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000036146207 523881404 /nfs/dbraw/zinc/88/14/04/523881404.db2.gz YKBSAKYVPVDQGO-BDYUSTAISA-N 1 1 495.019 4.922 50 0 JJAAMO COc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)cc1OC ZINC000004099404 523967556 /nfs/dbraw/zinc/96/75/56/523967556.db2.gz XKASPWGJHVQHDB-NRFANRHFSA-N 1 1 498.023 4.892 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207117 524278363 /nfs/dbraw/zinc/27/83/63/524278363.db2.gz XQCLRCDODPBIAY-LJQANCHMSA-N 1 1 493.629 4.558 50 0 JJAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COc3ccccc3)nc(=O)c12 ZINC000036207117 524278372 /nfs/dbraw/zinc/27/83/72/524278372.db2.gz XQCLRCDODPBIAY-LJQANCHMSA-N 1 1 493.629 4.558 50 0 JJAAMO Cc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c1 ZINC000036064024 524381900 /nfs/dbraw/zinc/38/19/00/524381900.db2.gz IDZQIVOTITXRTH-HSZRJFAPSA-N 1 1 472.589 4.618 50 0 JJAAMO Cc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC[C@H]3CCCO3)co2)c1 ZINC000036064024 524381905 /nfs/dbraw/zinc/38/19/05/524381905.db2.gz IDZQIVOTITXRTH-HSZRJFAPSA-N 1 1 472.589 4.618 50 0 JJAAMO Cc1cc(C)cc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000035456472 524423720 /nfs/dbraw/zinc/42/37/20/524423720.db2.gz OLAWASMIHMALNK-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO Cc1cc(C)cc(NC(=O)Cn2c(=O)c3c(nc2-c2ccc(F)cc2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000035456472 524423728 /nfs/dbraw/zinc/42/37/28/524423728.db2.gz OLAWASMIHMALNK-UHFFFAOYSA-N 1 1 496.586 4.863 50 0 JJAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305827 524695423 /nfs/dbraw/zinc/69/54/23/524695423.db2.gz OSMJARFQOUIRQG-JOCHJYFZSA-N 1 1 465.594 4.638 50 0 JJAAMO COc1ccc([C@@](O)(c2ccccc2OC)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447012 525284019 /nfs/dbraw/zinc/28/40/19/525284019.db2.gz DDDBZNUCIWOQOM-XNMGPUDCSA-N 1 1 467.993 4.709 50 0 JJAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(Br)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021793958 525322597 /nfs/dbraw/zinc/32/25/97/525322597.db2.gz BFJFIOYPZYIBIV-UHFFFAOYSA-N 1 1 466.383 4.562 50 0 JJAAMO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000036309538 525441843 /nfs/dbraw/zinc/44/18/43/525441843.db2.gz KSMMBAGXRONPML-SQHAQQRYSA-N 1 1 492.685 4.875 50 0 JJAAMO Cc1c(C(=O)N2CCC([N@H+]3CCC[C@H](CO)C3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014994631 525571814 /nfs/dbraw/zinc/57/18/14/525571814.db2.gz MTQKULWDILWVFL-NRFANRHFSA-N 1 1 497.709 4.611 50 0 JJAAMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[nH]2)cc1 ZINC000022800400 525760706 /nfs/dbraw/zinc/76/07/06/525760706.db2.gz YEOPJIBQCUODDI-JOCHJYFZSA-N 1 1 495.048 4.777 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146337 525924118 /nfs/dbraw/zinc/92/41/18/525924118.db2.gz SJVYFFQUYBHHCH-AOYPEHQESA-N 1 1 464.993 4.947 50 0 JJAAMO Cc1cnc(-n2ncc(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000014989590 525964321 /nfs/dbraw/zinc/96/43/21/525964321.db2.gz FOPIKYIOQXRADI-JOCHJYFZSA-N 1 1 498.656 4.971 50 0 JJAAMO C[C@H](c1cccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCC[NH+](C)C ZINC000014879329 526152698 /nfs/dbraw/zinc/15/26/98/526152698.db2.gz MJOLEKBPBPXRPG-HXUWFJFHSA-N 1 1 451.636 4.665 50 0 JJAAMO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303855 526241336 /nfs/dbraw/zinc/24/13/36/526241336.db2.gz ODIBAZXXUGEGCE-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000036303855 526241341 /nfs/dbraw/zinc/24/13/41/526241341.db2.gz ODIBAZXXUGEGCE-DEOSSOPVSA-N 1 1 479.621 4.980 50 0 JJAAMO Cc1cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 ZINC000033277387 526266385 /nfs/dbraw/zinc/26/63/85/526266385.db2.gz UHLQWLCRSBKXEF-UHFFFAOYSA-N 1 1 485.676 4.904 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145885 526285251 /nfs/dbraw/zinc/28/52/51/526285251.db2.gz XPYLENWWPXBGDT-UIOOFZCWSA-N 1 1 464.993 4.913 50 0 JJAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145958 526285874 /nfs/dbraw/zinc/28/58/74/526285874.db2.gz GPYJUVQIMRCONY-UIOOFZCWSA-N 1 1 464.993 4.913 50 0 JJAAMO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000012247491 526358591 /nfs/dbraw/zinc/35/85/91/526358591.db2.gz OKSIXHWSFGSJDF-UHFFFAOYSA-N 1 1 458.610 4.749 50 0 JJAAMO O=C(C[N@@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309072 526697904 /nfs/dbraw/zinc/69/79/04/526697904.db2.gz DJZUXWJSBLCUER-UIOOFZCWSA-N 1 1 476.642 4.699 50 0 JJAAMO Cc1nc(C[N@H+](C)[C@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)cs1 ZINC000014978491 526846027 /nfs/dbraw/zinc/84/60/27/526846027.db2.gz AQEJIAGSHMLCEQ-IBGZPJMESA-N 1 1 462.644 4.552 50 0 JJAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@H+](CCc2ccccc2)C1 ZINC000014754777 527272141 /nfs/dbraw/zinc/27/21/41/527272141.db2.gz ABQLUWSEBUIUID-URLMMPGGSA-N 1 1 495.667 4.654 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146690 527658625 /nfs/dbraw/zinc/65/86/25/527658625.db2.gz XHCHISBQRNPHCJ-VWNXMTODSA-N 1 1 472.944 4.645 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000002209127 554094125 /nfs/dbraw/zinc/09/41/25/554094125.db2.gz HFMMFUHAPMENTM-CLJLJLNGSA-N 1 1 498.539 4.525 50 0 JJAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2C)N2NC=NC2=[NH+]3)c1OC ZINC000002209581 554094368 /nfs/dbraw/zinc/09/43/68/554094368.db2.gz MYYOQCDOAZWELE-AZGAKELHSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccc(F)c2)cc1OC ZINC000002216907 554098252 /nfs/dbraw/zinc/09/82/52/554098252.db2.gz BZTQSRGZOHJCHV-FTJBHMTQSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccccc2)cc1OC ZINC000002224638 554102770 /nfs/dbraw/zinc/10/27/70/554102770.db2.gz QGBUGLBBBIVXCQ-FTJBHMTQSA-N 1 1 452.514 4.816 50 0 JJAAMO COc1ccc(OC)c([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1 ZINC000002344143 554157572 /nfs/dbraw/zinc/15/75/72/554157572.db2.gz LFGWXGRIGLTCKG-CLJLJLNGSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000002412807 554192952 /nfs/dbraw/zinc/19/29/52/554192952.db2.gz OMZCJLFMQVLRGE-NQHRYMMQSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000002412807 554192954 /nfs/dbraw/zinc/19/29/54/554192954.db2.gz OMZCJLFMQVLRGE-NQHRYMMQSA-N 1 1 458.986 4.664 50 0 JJAAMO CC[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000008814461 554696760 /nfs/dbraw/zinc/69/67/60/554696760.db2.gz DUJJKNIFMWGWQE-INIZCTEOSA-N 1 1 450.593 4.736 50 0 JJAAMO C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008936386 554830314 /nfs/dbraw/zinc/83/03/14/554830314.db2.gz UBAFTRISQWYYEP-QFIPXVFZSA-N 1 1 463.622 4.707 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151268 554937896 /nfs/dbraw/zinc/93/78/96/554937896.db2.gz CLFNZSAGGLNSTA-DEOSSOPVSA-N 1 1 485.657 4.986 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215852 554983714 /nfs/dbraw/zinc/98/37/14/554983714.db2.gz FTTAMGFTVMVPRQ-AMDXRBSFSA-N 1 1 458.986 4.664 50 0 JJAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000009215852 554983716 /nfs/dbraw/zinc/98/37/16/554983716.db2.gz FTTAMGFTVMVPRQ-AMDXRBSFSA-N 1 1 458.986 4.664 50 0 JJAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)CC1 ZINC000009265291 555041037 /nfs/dbraw/zinc/04/10/37/555041037.db2.gz VESYUFLWAOYJOK-UHFFFAOYSA-N 1 1 477.605 4.957 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344499 555109840 /nfs/dbraw/zinc/10/98/40/555109840.db2.gz CMNXDOKZXKEOQO-RSXGOPAZSA-N 1 1 470.504 4.956 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000009344451 555109912 /nfs/dbraw/zinc/10/99/12/555109912.db2.gz DVAKGWANPZDCGT-CLJLJLNGSA-N 1 1 468.513 4.517 50 0 JJAAMO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1OC ZINC000009344866 555110389 /nfs/dbraw/zinc/11/03/89/555110389.db2.gz XNJLZUVTTLNRHS-RSXGOPAZSA-N 1 1 452.514 4.816 50 0 JJAAMO CCOc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(OC)c2)cc1OC ZINC000009345324 555111422 /nfs/dbraw/zinc/11/14/22/555111422.db2.gz RQUKDUMOLOLWRW-SVBPBHIXSA-N 1 1 482.540 4.907 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1OC ZINC000009345509 555111613 /nfs/dbraw/zinc/11/16/13/555111613.db2.gz LWZCZYMEOOGVPY-JWQCQUIFSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2C)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000009347750 555113731 /nfs/dbraw/zinc/11/37/31/555113731.db2.gz ZCWONBMRJSZABL-CLJLJLNGSA-N 1 1 452.514 4.816 50 0 JJAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433057 555202862 /nfs/dbraw/zinc/20/28/62/555202862.db2.gz MQPFAXFHUBINJK-DNQXCXABSA-N 1 1 455.668 4.923 50 0 JJAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000009491244 555268273 /nfs/dbraw/zinc/26/82/73/555268273.db2.gz RGJRVGCKLPKLHB-UHFFFAOYSA-N 1 1 457.574 4.841 50 0 JJAAMO COc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc5ccccc54)CC3)n2)cc1 ZINC000009573254 555370079 /nfs/dbraw/zinc/37/00/79/555370079.db2.gz KOEYSJXKKYPAMB-UHFFFAOYSA-N 1 1 453.546 4.653 50 0 JJAAMO O=C1c2ccccc2C(=O)N1Cc1[nH+]c2ccc(Br)cn2c1NC1CCCCC1 ZINC000009598487 555416659 /nfs/dbraw/zinc/41/66/59/555416659.db2.gz ZQENFIHDEYYRFI-UHFFFAOYSA-N 1 1 453.340 4.638 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)[C@H](c3ccco3)C2)cc1 ZINC000009712333 555436405 /nfs/dbraw/zinc/43/64/05/555436405.db2.gz UTJJMRNYGHKKGX-VWLOTQADSA-N 1 1 470.573 4.616 50 0 JJAAMO CC[C@@H](C)[N@@H+](CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)C1CCCCC1 ZINC000009847831 555549668 /nfs/dbraw/zinc/54/96/68/555549668.db2.gz BRSVDZSBCXWDIL-LJQANCHMSA-N 1 1 472.699 4.641 50 0 JJAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@H+]4CCc5ccccc5C4)C3)nc2c(C)c1 ZINC000009848388 555550543 /nfs/dbraw/zinc/55/05/43/555550543.db2.gz HRXSLMUGGRPHJD-HSZRJFAPSA-N 1 1 462.663 4.694 50 0 JJAAMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21 ZINC000013672830 555564234 /nfs/dbraw/zinc/56/42/34/555564234.db2.gz KSLCYQTUSSEGPT-INIZCTEOSA-N 1 1 458.343 4.961 50 0 in-vitro JJAAMO CC[N@@H+](CCCNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)Cc1ccccc1 ZINC000010013251 555594195 /nfs/dbraw/zinc/59/41/95/555594195.db2.gz BDAWIQPZYLCTBN-UHFFFAOYSA-N 1 1 475.539 4.911 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000013786967 555619407 /nfs/dbraw/zinc/61/94/07/555619407.db2.gz WQGRVIWHZBNCBU-SACAOSOOSA-N 1 1 452.595 4.627 50 0 JJAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000013786967 555619410 /nfs/dbraw/zinc/61/94/10/555619410.db2.gz WQGRVIWHZBNCBU-SACAOSOOSA-N 1 1 452.595 4.627 50 0 JJAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)c3sc4ncccc4c3-n3cccc3)C[C@H]2C)c1 ZINC000013810618 555625885 /nfs/dbraw/zinc/62/58/85/555625885.db2.gz DWZLFMLFRFUUHZ-OAQYLSRUSA-N 1 1 473.646 4.726 50 0 JJAAMO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)c(OC)c1 ZINC000013811162 555627251 /nfs/dbraw/zinc/62/72/51/555627251.db2.gz SYZFTMVIQFPUPS-LOSJGSFVSA-N 1 1 456.477 4.647 50 0 JJAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(OC)c2OC)cc1OC ZINC000013811526 555628373 /nfs/dbraw/zinc/62/83/73/555628373.db2.gz FBOJOQBLFVIYMU-XNMGPUDCSA-N 1 1 498.539 4.525 50 0 JJAAMO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000013961121 555665642 /nfs/dbraw/zinc/66/56/42/555665642.db2.gz SLTNNRKRTYZRBV-UHFFFAOYSA-N 1 1 451.574 4.564 50 0 JJAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(CC)CC3)ccc2Sc2ccc(C)cc21 ZINC000020178993 555684398 /nfs/dbraw/zinc/68/43/98/555684398.db2.gz GRFYQLCRTTXONL-UHFFFAOYSA-N 1 1 450.652 4.748 50 0 JJAAMO O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020181239 555687985 /nfs/dbraw/zinc/68/79/85/555687985.db2.gz KXCATQRUDXNMGA-ITYLOYPMSA-N 1 1 487.600 4.650 50 0 JJAAMO CCOC(=O)C1=C(C[N@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214700 555710677 /nfs/dbraw/zinc/71/06/77/555710677.db2.gz CHRLPANLJDNDDV-RUZDIDTESA-N 1 1 481.593 4.683 50 0 JJAAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccco2)C2CCCC2)NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214700 555710680 /nfs/dbraw/zinc/71/06/80/555710680.db2.gz CHRLPANLJDNDDV-RUZDIDTESA-N 1 1 481.593 4.683 50 0 JJAAMO CCOC(=O)C1C(C[N@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214700 555710683 /nfs/dbraw/zinc/71/06/83/555710683.db2.gz CHRLPANLJDNDDV-RUZDIDTESA-N 1 1 481.593 4.683 50 0 JJAAMO CCOC(=O)C1C(C[N@@H+](Cc2ccco2)C2CCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214700 555710686 /nfs/dbraw/zinc/71/06/86/555710686.db2.gz CHRLPANLJDNDDV-RUZDIDTESA-N 1 1 481.593 4.683 50 0 JJAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000020233669 555724569 /nfs/dbraw/zinc/72/45/69/555724569.db2.gz VTRMGWCMUAFSQP-GOSISDBHSA-N 1 1 470.639 4.703 50 0 JJAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000020286833 555755446 /nfs/dbraw/zinc/75/54/46/555755446.db2.gz RVRPCBBPNRKVLD-UHFFFAOYSA-N 1 1 477.052 4.705 50 0 JJAAMO COc1ccc([C@H]([NH2+]CCS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000014255509 555756476 /nfs/dbraw/zinc/75/64/76/555756476.db2.gz MAPVRQXWQDWDRY-JOCHJYFZSA-N 1 1 460.393 4.611 50 0 JJAAMO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NC(=O)Cc2ccc(F)cc2)CC1 ZINC000020289781 555761337 /nfs/dbraw/zinc/76/13/37/555761337.db2.gz SUHYOOVCVIUZCH-NIYFSFCBSA-N 1 1 467.610 4.507 50 0 JJAAMO CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532127 555800011 /nfs/dbraw/zinc/80/00/11/555800011.db2.gz LNRDCZGUWQXODE-GOSISDBHSA-N 1 1 454.596 4.817 50 0 JJAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000020532245 555801372 /nfs/dbraw/zinc/80/13/72/555801372.db2.gz KCBCOSNJWLDXHJ-MRXNPFEDSA-N 1 1 454.596 4.817 50 0 JJAAMO CC[N@@H+](CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)Cc1ccccc1 ZINC000020597648 555839369 /nfs/dbraw/zinc/83/93/69/555839369.db2.gz DQQFATLEWJYFSM-UHFFFAOYSA-N 1 1 463.647 4.894 50 0 JJAAMO O=C(NCc1cccnc1)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)cc4F)CC3)ccc2o1 ZINC000015005684 555850109 /nfs/dbraw/zinc/85/01/09/555850109.db2.gz PXPKNMWUASRAIM-UHFFFAOYSA-N 1 1 477.511 4.520 50 0 JJAAMO COc1ccccc1[C@H]([C@H](O)C(=O)c1c[nH]c2ccccc21)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000015017583 555858809 /nfs/dbraw/zinc/85/88/09/555858809.db2.gz ZUKHPVKRMOMZBA-IAPPQJPRSA-N 1 1 490.003 4.937 50 0 JJAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)C2CCC2)C3)s1 ZINC000011965311 555871619 /nfs/dbraw/zinc/87/16/19/555871619.db2.gz WEACPQHCSKGHJA-IBGZPJMESA-N 1 1 454.636 4.965 50 0 JJAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccs1)Sc1ccccc1-2 ZINC000012039187 555891955 /nfs/dbraw/zinc/89/19/55/555891955.db2.gz GZQIVYVSTZMHSP-UUOWRZLLSA-N 1 1 479.671 4.811 50 0 JJAAMO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041109 555893776 /nfs/dbraw/zinc/89/37/76/555893776.db2.gz GXTLJHFHZIEEMN-QHCPKHFHSA-N 1 1 479.628 4.813 50 0 JJAAMO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041584 555894103 /nfs/dbraw/zinc/89/41/03/555894103.db2.gz HBOIQOVVUZHOSH-SANMLTNESA-N 1 1 469.589 4.724 50 0 JJAAMO Cc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000015671338 555928352 /nfs/dbraw/zinc/92/83/52/555928352.db2.gz VDXNBYWIOQTDMP-UHFFFAOYSA-N 1 1 451.596 4.855 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675663 555934173 /nfs/dbraw/zinc/93/41/73/555934173.db2.gz GKBKIBXVZWPMNX-HHHXNRCGSA-N 1 1 470.658 4.800 50 0 JJAAMO CCCC[N@@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675661 555934253 /nfs/dbraw/zinc/93/42/53/555934253.db2.gz GKBKIBXVZWPMNX-MHZLTWQESA-N 1 1 470.658 4.800 50 0 JJAAMO COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4Cl)C3)n2)cc1OC ZINC000015726117 555963453 /nfs/dbraw/zinc/96/34/53/555963453.db2.gz PERUKWRSPPXDNU-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(C)cc4Cl)C3)n2)cc1OC ZINC000015726117 555963458 /nfs/dbraw/zinc/96/34/58/555963458.db2.gz PERUKWRSPPXDNU-QGZVFWFLSA-N 1 1 470.957 4.566 50 0 JJAAMO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022908313 555965594 /nfs/dbraw/zinc/96/55/94/555965594.db2.gz CVTJILKNYCIQRC-OAQYLSRUSA-N 1 1 453.995 4.564 50 0 JJAAMO Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022908313 555965596 /nfs/dbraw/zinc/96/55/96/555965596.db2.gz CVTJILKNYCIQRC-OAQYLSRUSA-N 1 1 453.995 4.564 50 0 JJAAMO CC[N@@H+](CCCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000015733405 555978404 /nfs/dbraw/zinc/97/84/04/555978404.db2.gz QFZQYHLKODJSLB-UHFFFAOYSA-N 1 1 470.573 4.811 50 0 JJAAMO C[N@@H+](C1CCCCC1)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000015734897 555980755 /nfs/dbraw/zinc/98/07/55/555980755.db2.gz PPLMYWPWBOIZQA-UHFFFAOYSA-N 1 1 467.683 4.677 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)cc2)CC1 ZINC000022936547 555989448 /nfs/dbraw/zinc/98/94/48/555989448.db2.gz WENLQEILFUDIQM-UHFFFAOYSA-N 1 1 482.632 4.670 50 0 JJAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000022936582 555989470 /nfs/dbraw/zinc/98/94/70/555989470.db2.gz JEGPWIKWWOCVPC-UHFFFAOYSA-N 1 1 478.662 4.618 50 0 JJAAMO CCN1CC[NH+](Cc2ccc(NC(=O)COc3ccccc3-c3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000022937406 555990670 /nfs/dbraw/zinc/99/06/70/555990670.db2.gz YHKPKRQELPVTAU-UHFFFAOYSA-N 1 1 497.599 4.559 50 0 JJAAMO CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000015823438 556011664 /nfs/dbraw/zinc/01/16/64/556011664.db2.gz QOTMJHGIEVFUJQ-UHFFFAOYSA-N 1 1 457.415 4.768 50 0 JJAAMO CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC[N@H+](C(C)C)C2 ZINC000015823438 556011667 /nfs/dbraw/zinc/01/16/67/556011667.db2.gz QOTMJHGIEVFUJQ-UHFFFAOYSA-N 1 1 457.415 4.768 50 0 JJAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCCC2)o1 ZINC000015860454 556031692 /nfs/dbraw/zinc/03/16/92/556031692.db2.gz HLNSLSJDQOEQET-IBGZPJMESA-N 1 1 458.356 4.963 50 0 JJAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860509 556031829 /nfs/dbraw/zinc/03/18/29/556031829.db2.gz IOPSUKOVTLUHSV-SFHVURJKSA-N 1 1 473.367 4.660 50 0 JJAAMO O=C1N[C@H](c2cc3c(cc2Br)OCO3)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015945027 556081153 /nfs/dbraw/zinc/08/11/53/556081153.db2.gz CHSPKWUMJHCYLS-NRFANRHFSA-N 1 1 498.402 4.652 50 0 JJAAMO O=C1N[C@H](c2cc3c(cc2Br)OCO3)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015945027 556081155 /nfs/dbraw/zinc/08/11/55/556081155.db2.gz CHSPKWUMJHCYLS-NRFANRHFSA-N 1 1 498.402 4.652 50 0 JJAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1oc2ccccc2c1CSC1CCCCC1 ZINC000023894351 556099342 /nfs/dbraw/zinc/09/93/42/556099342.db2.gz JNZPZMCKSZESBL-UHFFFAOYSA-N 1 1 493.677 4.731 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016037988 556120377 /nfs/dbraw/zinc/12/03/77/556120377.db2.gz CMIBTSDRLYJTPQ-LIONHTAISA-N 1 1 483.955 4.803 50 0 JJAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016037988 556120379 /nfs/dbraw/zinc/12/03/79/556120379.db2.gz CMIBTSDRLYJTPQ-LIONHTAISA-N 1 1 483.955 4.803 50 0 JJAAMO O=c1c(Cl)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cnn1-c1nc2ccccc2[nH]1 ZINC000024334870 556129602 /nfs/dbraw/zinc/12/96/02/556129602.db2.gz MXRGBRODSUHIEF-UHFFFAOYSA-N 1 1 497.002 4.674 50 0 JJAAMO COc1cccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1OC ZINC000016891116 556172041 /nfs/dbraw/zinc/17/20/41/556172041.db2.gz NKCZTMVWIMXERM-HOYKHHGWSA-N 1 1 483.609 4.586 50 0 JJAAMO COc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016891075 556172064 /nfs/dbraw/zinc/17/20/64/556172064.db2.gz VVAICVLZSWPBOI-HOYKHHGWSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016891072 556172107 /nfs/dbraw/zinc/17/21/07/556172107.db2.gz VVAICVLZSWPBOI-MHECFPHRSA-N 1 1 453.583 4.578 50 0 JJAAMO COc1ccc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000016891042 556172226 /nfs/dbraw/zinc/17/22/26/556172226.db2.gz BLTUPTWIHLJRPZ-BVZFJXPGSA-N 1 1 483.609 4.586 50 0 JJAAMO Cc1c(-c2ccccc2)sc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1C(=O)N1CCOCC1 ZINC000025047046 556173914 /nfs/dbraw/zinc/17/39/14/556173914.db2.gz RCZGMPGKIZBHOP-QHCPKHFHSA-N 1 1 489.641 4.754 50 0 JJAAMO Cc1c(-c2ccccc2)sc(NC(=O)C[N@H+](C)[C@H]2CCc3ccccc32)c1C(=O)N1CCOCC1 ZINC000025047046 556173916 /nfs/dbraw/zinc/17/39/16/556173916.db2.gz RCZGMPGKIZBHOP-QHCPKHFHSA-N 1 1 489.641 4.754 50 0 JJAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1)[NH+](C)C ZINC000012982195 556175389 /nfs/dbraw/zinc/17/53/89/556175389.db2.gz RGCTVRYOFHZUEP-HSZRJFAPSA-N 1 1 456.546 4.753 50 0 JJAAMO Cc1cc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149109 556188760 /nfs/dbraw/zinc/18/87/60/556188760.db2.gz JZRCYJJNOYTVAW-NRFANRHFSA-N 1 1 457.553 4.749 50 0 JJAAMO C[C@@H](Oc1ncnc2scc(-c3ccc(F)cc3)c21)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013014635 556205895 /nfs/dbraw/zinc/20/58/95/556205895.db2.gz YDADOTCOXLVSIN-GOSISDBHSA-N 1 1 476.577 4.609 50 0 JJAAMO CCc1ccc(-n2c(=O)c3ccccc3nc2SC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000025747061 556231949 /nfs/dbraw/zinc/23/19/49/556231949.db2.gz GLCHCAKVWJHXTD-DEOSSOPVSA-N 1 1 471.626 4.941 50 0 JJAAMO CCc1ccc(-n2c(=O)c3ccccc3nc2SC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000025747061 556231950 /nfs/dbraw/zinc/23/19/50/556231950.db2.gz GLCHCAKVWJHXTD-DEOSSOPVSA-N 1 1 471.626 4.941 50 0 JJAAMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013068247 556264420 /nfs/dbraw/zinc/26/44/20/556264420.db2.gz UCWWVZZRWWWKGO-HSZRJFAPSA-N 1 1 452.345 4.892 50 0 JJAAMO CCN1CC[NH+](C2(CNC(=O)c3oc4cc(Br)ccc4c3C)CCCCC2)CC1 ZINC000028293706 556329643 /nfs/dbraw/zinc/32/96/43/556329643.db2.gz DIOHIQBPSIDAOW-UHFFFAOYSA-N 1 1 462.432 4.574 50 0 JJAAMO Brc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccncc2)cc1 ZINC000013122749 556338869 /nfs/dbraw/zinc/33/88/69/556338869.db2.gz YEXICRGWCBCMNY-YADHBBJMSA-N 1 1 458.319 4.648 50 0 JJAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000028728323 556340696 /nfs/dbraw/zinc/34/06/96/556340696.db2.gz UEILMNVTBLJCOK-UHFFFAOYSA-N 1 1 455.949 4.833 50 0 JJAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000028728323 556340700 /nfs/dbraw/zinc/34/07/00/556340700.db2.gz UEILMNVTBLJCOK-UHFFFAOYSA-N 1 1 455.949 4.833 50 0 JJAAMO COc1ccc(OC)c2c(=O)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793608 556373099 /nfs/dbraw/zinc/37/30/99/556373099.db2.gz LDPJGAUJANPMFF-UHFFFAOYSA-N 1 1 483.612 4.761 50 0 JJAAMO COC(=O)C[C@@H]([NH2+][C@H]1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)c1cc(C)ccc1C ZINC000019799726 556376577 /nfs/dbraw/zinc/37/65/77/556376577.db2.gz PAWCIKBHIKJGMS-AOYPEHQESA-N 1 1 450.554 4.875 50 0 JJAAMO Cc1cc(NC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)ccc1Br ZINC000030955255 556390064 /nfs/dbraw/zinc/39/00/64/556390064.db2.gz YRJOJMCKUJKRNZ-UHFFFAOYSA-N 1 1 455.356 4.658 50 0 JJAAMO COc1cc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3C)CC2)ccc1OCc1c(C)noc1C ZINC000032483406 556436361 /nfs/dbraw/zinc/43/63/61/556436361.db2.gz QPUQRUHARBJMAI-ZRDIBKRKSA-N 1 1 475.589 4.545 50 0 JJAAMO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000032952974 556568281 /nfs/dbraw/zinc/56/82/81/556568281.db2.gz NLDPNUKQNHNTAO-UHFFFAOYSA-N 1 1 483.591 4.686 50 0 JJAAMO CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)c1 ZINC000008590196 562942559 /nfs/dbraw/zinc/94/25/59/562942559.db2.gz DMDSURZRBVWVKZ-MRXNPFEDSA-N 1 1 452.580 4.586 50 0 JJAAMO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(OCC)cc3)c[nH+]c3ccc(OC)cc32)CC1 ZINC000034868210 563117140 /nfs/dbraw/zinc/11/71/40/563117140.db2.gz LNDOEFHKWWYRAX-UHFFFAOYSA-N 1 1 462.546 4.653 50 0 JJAAMO Cc1cc(=O)c(C(=O)N2CC[NH+](C(C)C)CC2)c2n1-c1ccccc1S[C@@H](c1cccs1)C2 ZINC000055575451 569592286 /nfs/dbraw/zinc/59/22/86/569592286.db2.gz HBSJOJCVMRKCHH-XMMPIXPASA-N 1 1 479.671 4.763 50 0 JJAAMO Cc1cc(=O)c(C(=O)N2CC[NH+](C(C)C)CC2)c2n1-c1ccccc1S[C@H](c1cccs1)C2 ZINC000055575449 569592305 /nfs/dbraw/zinc/59/23/05/569592305.db2.gz HBSJOJCVMRKCHH-DEOSSOPVSA-N 1 1 479.671 4.763 50 0 JJAAMO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057099770 569594447 /nfs/dbraw/zinc/59/44/47/569594447.db2.gz LABJOZCHEUIFQO-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000057099770 569594448 /nfs/dbraw/zinc/59/44/48/569594448.db2.gz LABJOZCHEUIFQO-BYSIJJKSSA-N 1 1 497.982 4.663 50 0 JJAAMO COc1cccc([C@H](CNc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)[NH+]2CCCC2)c1 ZINC000008706896 569594674 /nfs/dbraw/zinc/59/46/74/569594674.db2.gz ZTTYCHABEIMBPM-IBGZPJMESA-N 1 1 493.917 4.557 50 0 JJAAMO CC[N@H+](CC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C)Cc1cccs1 ZINC000057293257 569595912 /nfs/dbraw/zinc/59/59/12/569595912.db2.gz PZLQNNDSHGSHDE-UHFFFAOYSA-N 1 1 462.619 4.658 50 0 JJAAMO CC[N@@H+](CC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C)Cc1cccs1 ZINC000057293257 569595914 /nfs/dbraw/zinc/59/59/14/569595914.db2.gz PZLQNNDSHGSHDE-UHFFFAOYSA-N 1 1 462.619 4.658 50 0 JJAAMO O=C1N[C@@H](c2cc3c(cc2Cl)OCO3)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722170 569598758 /nfs/dbraw/zinc/59/87/58/569598758.db2.gz JBXJHMUDQJATHN-OAQYLSRUSA-N 1 1 453.951 4.543 50 0 JJAAMO O=C1N[C@@H](c2cc3c(cc2Cl)OCO3)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722170 569598759 /nfs/dbraw/zinc/59/87/59/569598759.db2.gz JBXJHMUDQJATHN-OAQYLSRUSA-N 1 1 453.951 4.543 50 0 JJAAMO C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)c(F)c1 ZINC000057383361 569599534 /nfs/dbraw/zinc/59/95/34/569599534.db2.gz UNTPWBXKVNWKMZ-HXUWFJFHSA-N 1 1 464.560 4.576 50 0 JJAAMO C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)c(F)c1 ZINC000057383358 569599551 /nfs/dbraw/zinc/59/95/51/569599551.db2.gz UNTPWBXKVNWKMZ-FQEVSTJZSA-N 1 1 464.560 4.576 50 0 JJAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1OC)O2 ZINC000032983793 569607016 /nfs/dbraw/zinc/60/70/16/569607016.db2.gz NOJNRTWNBHRMHU-RQFMOZSRSA-N 1 1 485.584 4.708 50 0 JJAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1OC)O2 ZINC000032983790 569607057 /nfs/dbraw/zinc/60/70/57/569607057.db2.gz NOJNRTWNBHRMHU-PKNRUHJYSA-N 1 1 485.584 4.708 50 0 JJAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000062369986 569610723 /nfs/dbraw/zinc/61/07/23/569610723.db2.gz UTDCLWMHVLZRFT-YADARESESA-N 1 1 483.659 4.629 50 0 JJAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)c1C ZINC000063513571 569615248 /nfs/dbraw/zinc/61/52/48/569615248.db2.gz CLRGMFDWMZERPM-UHFFFAOYSA-N 1 1 491.705 4.701 50 0 JJAAMO Cc1cc(=O)c(C(=O)N2CC[NH+](C(C)C)CC2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000064053280 569616170 /nfs/dbraw/zinc/61/61/70/569616170.db2.gz GBCNSTPXGDNFCS-DEOSSOPVSA-N 1 1 479.671 4.763 50 0 JJAAMO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccccc2)CC3)c(Br)c1 ZINC000033331761 569624377 /nfs/dbraw/zinc/62/43/77/569624377.db2.gz XTJHBYSFGOLJNJ-UHFFFAOYSA-N 1 1 499.434 4.542 50 0 JJAAMO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)c(Br)c1 ZINC000033331761 569624378 /nfs/dbraw/zinc/62/43/78/569624378.db2.gz XTJHBYSFGOLJNJ-UHFFFAOYSA-N 1 1 499.434 4.542 50 0 JJAAMO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[N@H+](C)C2CCCCC2)C3=O)o1 ZINC000033331902 569624403 /nfs/dbraw/zinc/62/44/03/569624403.db2.gz LHIOUXQAHQYODN-MUUNZHRXSA-N 1 1 482.669 4.861 50 0 JJAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801513 569631358 /nfs/dbraw/zinc/63/13/58/569631358.db2.gz KRNDJTMHKXMSIH-UHFFFAOYSA-N 1 1 460.538 4.934 50 0 JJAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3C)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064802161 569631968 /nfs/dbraw/zinc/63/19/68/569631968.db2.gz OOWMWGXJRJAHEO-UHFFFAOYSA-N 1 1 481.622 4.598 50 0 JJAAMO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000064816492 569633630 /nfs/dbraw/zinc/63/36/30/569633630.db2.gz OASNMVUTEXOPPB-UHFFFAOYSA-N 1 1 479.049 4.962 50 0 JJAAMO O=C(Nc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1)c1ccccc1C(F)(F)F ZINC000034667847 569640604 /nfs/dbraw/zinc/64/06/04/569640604.db2.gz ZCBIWYGZMVCWDJ-UHFFFAOYSA-N 1 1 458.459 4.814 50 0 JJAAMO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2)NC[C@@H]1CCCO1 ZINC000034671513 569640672 /nfs/dbraw/zinc/64/06/72/569640672.db2.gz QAGZJFUVNPAQSD-WNJJXGMVSA-N 1 1 456.586 4.508 50 0 JJAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681918 569643434 /nfs/dbraw/zinc/64/34/34/569643434.db2.gz AVXWETCUUPHTJM-UHFFFAOYSA-N 1 1 456.924 4.978 50 0 JJAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034683833 569644672 /nfs/dbraw/zinc/64/46/72/569644672.db2.gz JKYGMDMDMJWYHZ-UHFFFAOYSA-N 1 1 491.034 4.990 50 0 JJAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000034683902 569644809 /nfs/dbraw/zinc/64/48/09/569644809.db2.gz PUNKAASWQPBTCQ-UHFFFAOYSA-N 1 1 459.974 4.734 50 0 JJAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1)Cc1ccccc1 ZINC000065023358 569649830 /nfs/dbraw/zinc/64/98/30/569649830.db2.gz RCTHWNDLMYKDRU-SANMLTNESA-N 1 1 471.649 4.697 50 0 JJAAMO C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000034707981 569650029 /nfs/dbraw/zinc/65/00/29/569650029.db2.gz GODVBKDEFLOJNY-QGZVFWFLSA-N 1 1 458.953 4.902 50 0 JJAAMO C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@H+]1Cc1cccc(Cl)c1 ZINC000034707981 569650030 /nfs/dbraw/zinc/65/00/30/569650030.db2.gz GODVBKDEFLOJNY-QGZVFWFLSA-N 1 1 458.953 4.902 50 0 JJAAMO C[C@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000034707982 569650199 /nfs/dbraw/zinc/65/01/99/569650199.db2.gz GODVBKDEFLOJNY-KRWDZBQOSA-N 1 1 458.953 4.902 50 0 JJAAMO C[C@H]1CN(c2nc3ccccc3c3nnc(-c4ccco4)n32)CC[N@H+]1Cc1cccc(Cl)c1 ZINC000034707982 569650200 /nfs/dbraw/zinc/65/02/00/569650200.db2.gz GODVBKDEFLOJNY-KRWDZBQOSA-N 1 1 458.953 4.902 50 0 JJAAMO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711151 569650760 /nfs/dbraw/zinc/65/07/60/569650760.db2.gz KVXBYQGFDCZYPW-FCHUYYIVSA-N 1 1 464.512 4.616 50 0 JJAAMO CC(C)C(=O)N1CCc2cc(-c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)ccc21 ZINC000065026915 569651630 /nfs/dbraw/zinc/65/16/30/569651630.db2.gz LVXGOWBTNWIPPN-UHFFFAOYSA-N 1 1 467.613 4.857 50 0 JJAAMO CC[N@@H+]1CCc2c(c(CN(CC3CC3)C(=O)Nc3ccc(OC)cc3)nn2-c2ccccc2)C1 ZINC000034762488 569657998 /nfs/dbraw/zinc/65/79/98/569657998.db2.gz JGNUNMYFXFDLRM-UHFFFAOYSA-N 1 1 459.594 4.703 50 0 JJAAMO CC[N@H+]1CCc2c(c(CN(CC3CC3)C(=O)Nc3ccc(OC)cc3)nn2-c2ccccc2)C1 ZINC000034762488 569657999 /nfs/dbraw/zinc/65/79/99/569657999.db2.gz JGNUNMYFXFDLRM-UHFFFAOYSA-N 1 1 459.594 4.703 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787029 569659489 /nfs/dbraw/zinc/65/94/89/569659489.db2.gz ZRYXUPBHWZCFBY-RLWLMLJZSA-N 1 1 467.679 4.583 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034787029 569659490 /nfs/dbraw/zinc/65/94/90/569659490.db2.gz ZRYXUPBHWZCFBY-RLWLMLJZSA-N 1 1 467.679 4.583 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787961 569659927 /nfs/dbraw/zinc/65/99/27/569659927.db2.gz KRFKDQWSZFPHPE-MHZLTWQESA-N 1 1 479.690 4.645 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787961 569659928 /nfs/dbraw/zinc/65/99/28/569659928.db2.gz KRFKDQWSZFPHPE-MHZLTWQESA-N 1 1 479.690 4.645 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034787981 569659966 /nfs/dbraw/zinc/65/99/66/569659966.db2.gz LYZZGZZNGOVWMO-AREMUKBSSA-N 1 1 467.679 4.501 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034787981 569659967 /nfs/dbraw/zinc/65/99/67/569659967.db2.gz LYZZGZZNGOVWMO-AREMUKBSSA-N 1 1 467.679 4.501 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000034829626 569663084 /nfs/dbraw/zinc/66/30/84/569663084.db2.gz WJOQGJXXVVBICH-BCHFMIIMSA-N 1 1 494.060 4.722 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000034829626 569663085 /nfs/dbraw/zinc/66/30/85/569663085.db2.gz WJOQGJXXVVBICH-BCHFMIIMSA-N 1 1 494.060 4.722 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034829794 569663387 /nfs/dbraw/zinc/66/33/87/569663387.db2.gz XWQYRDWMFSZCSB-NFQMXDRXSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(F)cc2)[C@H](C)C1 ZINC000034829794 569663388 /nfs/dbraw/zinc/66/33/88/569663388.db2.gz XWQYRDWMFSZCSB-NFQMXDRXSA-N 1 1 491.632 4.516 50 0 JJAAMO CC(C)(C)CC(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034830053 569663643 /nfs/dbraw/zinc/66/36/43/569663643.db2.gz MROAUEMLTCCGFS-AREMUKBSSA-N 1 1 467.679 4.583 50 0 JJAAMO CCOC(=O)C1C(C[NH+]2CCC(Cc3ccccc3)CC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286888 569684013 /nfs/dbraw/zinc/68/40/13/569684013.db2.gz GNJYSDORRLVGPJ-VWLOTQADSA-N 1 1 479.646 4.534 50 0 JJAAMO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286888 569684014 /nfs/dbraw/zinc/68/40/14/569684014.db2.gz GNJYSDORRLVGPJ-VWLOTQADSA-N 1 1 479.646 4.534 50 0 JJAAMO CC(C)[N@@H+](C)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000069438067 569692991 /nfs/dbraw/zinc/69/29/91/569692991.db2.gz MPLDPVOAYCPODW-JOCHJYFZSA-N 1 1 462.421 4.755 50 0 JJAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000069950985 569694361 /nfs/dbraw/zinc/69/43/61/569694361.db2.gz NRGLZWVZNOCBPH-GOSISDBHSA-N 1 1 464.635 4.740 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2csc(CN(Cc3ccc(F)cc3)Cc3cccc(Cl)c3)n2)CC1 ZINC000035808036 569711746 /nfs/dbraw/zinc/71/17/46/569711746.db2.gz SQZXUAOZYIXJOK-UHFFFAOYSA-N 1 1 487.044 4.916 50 0 JJAAMO COc1ccc(OC[C@H](O)C[N@@H+](CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000035840565 569713792 /nfs/dbraw/zinc/71/37/92/569713792.db2.gz ZBMDOOLBSXAQMX-RUZDIDTESA-N 1 1 454.586 4.972 50 0 JJAAMO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](C4CCCC4)C[C@H]23)cc1 ZINC000035871494 569718790 /nfs/dbraw/zinc/71/87/90/569718790.db2.gz QDCRGHAUGJHLJS-ISKFKSNPSA-N 1 1 473.539 4.958 50 0 JJAAMO CC(=O)N(c1nc(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cs1)c1cccc(C)c1C ZINC000089686471 569719579 /nfs/dbraw/zinc/71/95/79/569719579.db2.gz RBBVZKHYCSQIFR-UHFFFAOYSA-N 1 1 476.646 4.697 50 0 JJAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035908087 569723929 /nfs/dbraw/zinc/72/39/29/569723929.db2.gz JJZBCNJDHMORGL-FYYLOGMGSA-N 1 1 477.596 4.731 50 0 JJAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccs3)n2-c2ccccc2F)CC1 ZINC000095544475 569726851 /nfs/dbraw/zinc/72/68/51/569726851.db2.gz FQWHDSYGWOSPKG-UHFFFAOYSA-N 1 1 493.633 4.815 50 0 JJAAMO COc1cccc(-c2nc3ccc(-c4cc(C)ccc4C)cn3c2C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000095597818 569727892 /nfs/dbraw/zinc/72/78/92/569727892.db2.gz AUSNYDNJIGWLIE-UHFFFAOYSA-N 1 1 468.601 4.958 50 0 JJAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CC5)CC4)n3c2)cc1 ZINC000095597829 569728014 /nfs/dbraw/zinc/72/80/14/569728014.db2.gz NUHXYFDMULTEDG-UHFFFAOYSA-N 1 1 478.596 4.925 50 0 JJAAMO COc1ccc(C[NH+]2CCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)cc1 ZINC000035924660 569728173 /nfs/dbraw/zinc/72/81/73/569728173.db2.gz KHYYTRZTEOFGEL-UHFFFAOYSA-N 1 1 470.621 4.653 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(C(C)C)n3-c3ccc(C)cc3)cc2)CC1 ZINC000095925583 569730249 /nfs/dbraw/zinc/73/02/49/569730249.db2.gz KWJFRFMISLLIPD-UHFFFAOYSA-N 1 1 463.651 4.769 50 0 JJAAMO C[C@H](NC(=S)NCCc1ccccc1)[C@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097546857 569745339 /nfs/dbraw/zinc/74/53/39/569745339.db2.gz ANWUINNDMYCNDD-BKMJKUGQSA-N 1 1 478.731 4.702 50 0 JJAAMO O=C1C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000100155291 569754203 /nfs/dbraw/zinc/75/42/03/569754203.db2.gz UPTORVXRSAUJCG-GOSISDBHSA-N 1 1 459.493 4.827 50 0 JJAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042997 569754447 /nfs/dbraw/zinc/75/44/47/569754447.db2.gz ZDBULOYQODXNSB-VKGTZQKMSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2[C@H](C)NC(=O)c2ccc(OC)cc2)cc1 ZINC000036042997 569754448 /nfs/dbraw/zinc/75/44/48/569754448.db2.gz ZDBULOYQODXNSB-VKGTZQKMSA-N 1 1 490.600 4.639 50 0 JJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000036042959 569754456 /nfs/dbraw/zinc/75/44/56/569754456.db2.gz BBZWDXMILZKJAN-PBBNMVCDSA-N 1 1 458.602 4.859 50 0 JJAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000036042959 569754457 /nfs/dbraw/zinc/75/44/57/569754457.db2.gz BBZWDXMILZKJAN-PBBNMVCDSA-N 1 1 458.602 4.859 50 0 JJAAMO CCCCc1ccc(C(=O)N2CC[NH+]([C@@H](C(=O)N3CCCC[C@@H]3C)C3CCCC3)CC2)cc1 ZINC000036250301 569758353 /nfs/dbraw/zinc/75/83/53/569758353.db2.gz KACMVMKXMDONNW-BKMJKUGQSA-N 1 1 453.671 4.747 50 0 JJAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036301525 569759019 /nfs/dbraw/zinc/75/90/19/569759019.db2.gz LEFAVBKALKQFMP-JOCHJYFZSA-N 1 1 467.610 4.504 50 0 JJAAMO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N[C@@H](C)CCc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036310569 569759331 /nfs/dbraw/zinc/75/93/31/569759331.db2.gz JLPRDZFJQOVOQQ-WXVAWEFUSA-N 1 1 492.664 4.541 50 0 JJAAMO C[C@H](NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000036311068 569759359 /nfs/dbraw/zinc/75/93/59/569759359.db2.gz QNGWVIIJKSBQDD-YADARESESA-N 1 1 468.642 4.576 50 0 JJAAMO C[C@@H](NC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=S)Nc2ccc(F)cc2)CC1)c1ccccc1 ZINC000036311069 569759379 /nfs/dbraw/zinc/75/93/79/569759379.db2.gz QNGWVIIJKSBQDD-NTKDMRAZSA-N 1 1 468.642 4.576 50 0 JJAAMO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N[C@H](C)CCc3ccccc3)C3CCCC3)CC2)cc1 ZINC000036310570 569759451 /nfs/dbraw/zinc/75/94/51/569759451.db2.gz JLPRDZFJQOVOQQ-AJTFRIOCSA-N 1 1 492.664 4.541 50 0 JJAAMO CC[C@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1cccc(OC)c1 ZINC000036312167 569760029 /nfs/dbraw/zinc/76/00/29/569760029.db2.gz DNXHWVAAAIDWOM-IBGZPJMESA-N 1 1 480.584 4.682 50 0 JJAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)c1ccccc1OC ZINC000036312168 569760158 /nfs/dbraw/zinc/76/01/58/569760158.db2.gz KKWBYUWVRGGUHB-LJQANCHMSA-N 1 1 480.584 4.682 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312987 569760415 /nfs/dbraw/zinc/76/04/15/569760415.db2.gz PAZKPWAKTIEJQZ-QFIPXVFZSA-N 1 1 453.583 4.713 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312987 569760416 /nfs/dbraw/zinc/76/04/16/569760416.db2.gz PAZKPWAKTIEJQZ-QFIPXVFZSA-N 1 1 453.583 4.713 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313647 569760784 /nfs/dbraw/zinc/76/07/84/569760784.db2.gz XWXGVNSXGMQUJN-HSZRJFAPSA-N 1 1 467.610 4.505 50 0 JJAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036313696 569760986 /nfs/dbraw/zinc/76/09/86/569760986.db2.gz SKQMKGWUWFFAPC-DEOSSOPVSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036313696 569760988 /nfs/dbraw/zinc/76/09/88/569760988.db2.gz SKQMKGWUWFFAPC-DEOSSOPVSA-N 1 1 499.627 4.992 50 0 JJAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313946 569761622 /nfs/dbraw/zinc/76/16/22/569761622.db2.gz HWUHCAXEOGXAOP-QHCPKHFHSA-N 1 1 497.636 4.514 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316391 569762727 /nfs/dbraw/zinc/76/27/27/569762727.db2.gz QIDJOWXUZWYBFM-JOCHJYFZSA-N 1 1 467.610 4.843 50 0 JJAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036341738 569764652 /nfs/dbraw/zinc/76/46/52/569764652.db2.gz XGJNLYISLLKUGQ-RUZDIDTESA-N 1 1 461.537 4.653 50 0 JJAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036341738 569764653 /nfs/dbraw/zinc/76/46/53/569764653.db2.gz XGJNLYISLLKUGQ-RUZDIDTESA-N 1 1 461.537 4.653 50 0 JJAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342038 569765363 /nfs/dbraw/zinc/76/53/63/569765363.db2.gz BKSNQDCYOMYKTE-XMMPIXPASA-N 1 1 485.600 4.738 50 0 JJAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036342038 569765364 /nfs/dbraw/zinc/76/53/64/569765364.db2.gz BKSNQDCYOMYKTE-XMMPIXPASA-N 1 1 485.600 4.738 50 0 JJAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000036343718 569766553 /nfs/dbraw/zinc/76/65/53/569766553.db2.gz JSFHMRXJQOODPS-HHHXNRCGSA-N 1 1 473.020 4.836 50 0 JJAAMO Cc1cccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344761 569767260 /nfs/dbraw/zinc/76/72/60/569767260.db2.gz YIHAJAMBLIYCKM-MUUNZHRXSA-N 1 1 470.592 4.630 50 0 JJAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345477 569768028 /nfs/dbraw/zinc/76/80/28/569768028.db2.gz WAWSYNNQRVMNNV-GDLZYMKVSA-N 1 1 484.619 4.938 50 0 JJAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036345505 569768081 /nfs/dbraw/zinc/76/80/81/569768081.db2.gz ISJNZTHXTGPNNC-LJAQVGFWSA-N 1 1 484.619 4.938 50 0 JJAAMO Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000036345734 569768171 /nfs/dbraw/zinc/76/81/71/569768171.db2.gz FNOMGVKBXRDNEO-GDLZYMKVSA-N 1 1 484.619 4.938 50 0 JJAAMO Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000036345733 569768211 /nfs/dbraw/zinc/76/82/11/569768211.db2.gz FNOMGVKBXRDNEO-LJAQVGFWSA-N 1 1 484.619 4.938 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036346142 569769001 /nfs/dbraw/zinc/76/90/01/569769001.db2.gz YVNIVNDSZLLQNL-XMMPIXPASA-N 1 1 467.610 4.516 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000036346142 569769002 /nfs/dbraw/zinc/76/90/02/569769002.db2.gz YVNIVNDSZLLQNL-XMMPIXPASA-N 1 1 467.610 4.516 50 0 JJAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346141 569769083 /nfs/dbraw/zinc/76/90/83/569769083.db2.gz YVNIVNDSZLLQNL-DEOSSOPVSA-N 1 1 467.610 4.516 50 0 JJAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)COC(C)C ZINC000036346141 569769084 /nfs/dbraw/zinc/76/90/84/569769084.db2.gz YVNIVNDSZLLQNL-DEOSSOPVSA-N 1 1 467.610 4.516 50 0 JJAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346592 569770097 /nfs/dbraw/zinc/77/00/97/569770097.db2.gz CIXCXNLBYMKIRG-NRFANRHFSA-N 1 1 459.537 4.859 50 0 JJAAMO COc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000036370357 569773360 /nfs/dbraw/zinc/77/33/60/569773360.db2.gz UHQILZAFXHDNKO-UHFFFAOYSA-N 1 1 471.532 4.949 50 0 JJAAMO CN([NH2+]c1cc(=O)n(-c2ccc(Cl)cc2Cl)c(=O)[nH]1)c1ncc(C(F)(F)F)cc1Cl ZINC000100918944 569775745 /nfs/dbraw/zinc/77/57/45/569775745.db2.gz JZNNIVJNEAJEMK-UHFFFAOYSA-N 1 1 480.661 4.775 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccco4)n3-c3ccccc3F)cc2)CC1 ZINC000037397468 569786837 /nfs/dbraw/zinc/78/68/37/569786837.db2.gz DQIQOKVYATWAEG-UHFFFAOYSA-N 1 1 491.592 4.736 50 0 JJAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3cccc(C)c3)cc2)CC1 ZINC000037398518 569787233 /nfs/dbraw/zinc/78/72/33/569787233.db2.gz BHMZAQIYGATZQZ-UHFFFAOYSA-N 1 1 498.656 4.708 50 0 JJAAMO C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@@H+](C)Cc1ccccc1 ZINC000037443405 569791113 /nfs/dbraw/zinc/79/11/13/569791113.db2.gz WCLOMZOYASIYID-LUICLMBMSA-N 1 1 490.648 4.666 50 0 JJAAMO COc1cc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sccc32)cc(OC)c1 ZINC000037525762 569793585 /nfs/dbraw/zinc/79/35/85/569793585.db2.gz KKQWJDGFFZMOAV-UHFFFAOYSA-N 1 1 475.614 4.726 50 0 JJAAMO COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1OC ZINC000038546518 569803160 /nfs/dbraw/zinc/80/31/60/569803160.db2.gz WTLORLJEMMPLPQ-RUZDIDTESA-N 1 1 495.645 4.826 50 0 JJAAMO COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c(OC)c1 ZINC000038546644 569803496 /nfs/dbraw/zinc/80/34/96/569803496.db2.gz IYKDIKNYUUBOKI-VWLOTQADSA-N 1 1 495.645 4.826 50 0 JJAAMO Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC(C[N@H+](C)C(C)C)CC3)[C@@H]2c2cccs2)cc1 ZINC000039563899 569810853 /nfs/dbraw/zinc/81/08/53/569810853.db2.gz XEPAUBYDQBQTST-RCZVLFRGSA-N 1 1 453.652 4.730 50 0 JJAAMO COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)c1 ZINC000040082106 569815780 /nfs/dbraw/zinc/81/57/80/569815780.db2.gz NJFFEGHPNAQWNZ-CALCHBBNSA-N 1 1 467.591 4.689 50 0 JJAAMO COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)n2)c1 ZINC000040082106 569815782 /nfs/dbraw/zinc/81/57/82/569815782.db2.gz NJFFEGHPNAQWNZ-CALCHBBNSA-N 1 1 467.591 4.689 50 0 JJAAMO C[C@@H](Nc1nc(C[NH+]2CCC(C)CC2)nc2sc3c(c21)CCC3)c1ccc(NS(C)(=O)=O)cc1 ZINC000040149327 569818793 /nfs/dbraw/zinc/81/87/93/569818793.db2.gz DJFABJGXVOCASE-QGZVFWFLSA-N 1 1 499.706 4.957 50 0 JJAAMO CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000103709116 569837230 /nfs/dbraw/zinc/83/72/30/569837230.db2.gz ZGYBONLZZLLUEJ-ICSRJNTNSA-N 1 1 454.640 4.642 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984396 569848496 /nfs/dbraw/zinc/84/84/96/569848496.db2.gz PBUHDAYBEHVKPZ-VQTJNVASSA-N 1 1 451.394 4.775 50 0 JJAAMO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000105001969 569849018 /nfs/dbraw/zinc/84/90/18/569849018.db2.gz OMUPCLKZZHPLQY-PKTZIBPZSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000105001969 569849019 /nfs/dbraw/zinc/84/90/19/569849019.db2.gz OMUPCLKZZHPLQY-PKTZIBPZSA-N 1 1 497.611 4.745 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000105009512 569850441 /nfs/dbraw/zinc/85/04/41/569850441.db2.gz DYAROPMJOGHNMS-YIXXDRMTSA-N 1 1 491.632 4.655 50 0 JJAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(OCC)cc2)C1 ZINC000105009512 569850442 /nfs/dbraw/zinc/85/04/42/569850442.db2.gz DYAROPMJOGHNMS-YIXXDRMTSA-N 1 1 491.632 4.655 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011697 569850946 /nfs/dbraw/zinc/85/09/46/569850946.db2.gz OKTVYXRGONIEPR-RPLLCQBOSA-N 1 1 475.633 4.873 50 0 JJAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cc(C)ccc2C)C1 ZINC000105011697 569850947 /nfs/dbraw/zinc/85/09/47/569850947.db2.gz OKTVYXRGONIEPR-RPLLCQBOSA-N 1 1 475.633 4.873 50 0 JJAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000105061813 569852715 /nfs/dbraw/zinc/85/27/15/569852715.db2.gz ODOBQRCAJJDHSK-NLFFAJNJSA-N 1 1 493.698 4.829 50 0 JJAAMO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000105780059 569853377 /nfs/dbraw/zinc/85/33/77/569853377.db2.gz VMRBFEVPGQPSCR-VQIMIIECSA-N 1 1 461.400 4.764 50 0 JJAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N2CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000107374293 569856438 /nfs/dbraw/zinc/85/64/38/569856438.db2.gz JNOZEOYPSPQZGZ-AOYPEHQESA-N 1 1 479.546 4.885 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3ccc(C)cc3C)[C@H](C)C(C)C)n2)C1 ZINC000107380802 569856473 /nfs/dbraw/zinc/85/64/73/569856473.db2.gz OAQQETWGEYMEKU-GGAORHGYSA-N 1 1 469.626 4.753 50 0 JJAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3ccc(C)cc3C)[C@H](C)C(C)C)n2)C1 ZINC000107380802 569856474 /nfs/dbraw/zinc/85/64/74/569856474.db2.gz OAQQETWGEYMEKU-GGAORHGYSA-N 1 1 469.626 4.753 50 0 JJAAMO COc1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677427 569868641 /nfs/dbraw/zinc/86/86/41/569868641.db2.gz SJVYFFQUYBHHCH-AHWVRZQESA-N 1 1 464.993 4.947 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679112 569869532 /nfs/dbraw/zinc/86/95/32/569869532.db2.gz FCLDFVNKIDREPH-VWNXMTODSA-N 1 1 454.954 4.506 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@@H](C)C1 ZINC000169679433 569869702 /nfs/dbraw/zinc/86/97/02/569869702.db2.gz HNNLRGIBVCIPSQ-CCLHPLFOSA-N 1 1 491.632 4.516 50 0 JJAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2F)[C@@H](C)C1 ZINC000169679433 569869703 /nfs/dbraw/zinc/86/97/03/569869703.db2.gz HNNLRGIBVCIPSQ-CCLHPLFOSA-N 1 1 491.632 4.516 50 0 JJAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169679381 569869784 /nfs/dbraw/zinc/86/97/84/569869784.db2.gz AGJKXWSYWWOTJH-VWNXMTODSA-N 1 1 454.954 4.506 50 0 JJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000169679839 569869924 /nfs/dbraw/zinc/86/99/24/569869924.db2.gz YKNPNLHFPDOZCI-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3C)[C@@H](C)C2)cc1 ZINC000169679839 569869925 /nfs/dbraw/zinc/86/99/25/569869925.db2.gz YKNPNLHFPDOZCI-RBISFHTESA-N 1 1 487.669 4.686 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680053 569870069 /nfs/dbraw/zinc/87/00/69/569870069.db2.gz XJNCLNOQQDUOSG-BVAGGSTKSA-N 1 1 480.992 4.784 50 0 JJAAMO COc1ccc(C2=NO[C@H](C[N@H+](Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680053 569870070 /nfs/dbraw/zinc/87/00/70/569870070.db2.gz XJNCLNOQQDUOSG-BVAGGSTKSA-N 1 1 480.992 4.784 50 0 JJAAMO C[C@H]1CCCC[N@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228507 570055518 /nfs/dbraw/zinc/05/55/18/570055518.db2.gz CZLFGPGOHKLNOZ-PZGXJGMVSA-N 1 1 478.681 4.959 50 0 JJAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228606 570055673 /nfs/dbraw/zinc/05/56/73/570055673.db2.gz WOCXAGNYWXPBCP-UETOGOEVSA-N 1 1 478.681 4.958 50 0 JJAAMO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245261276 570060887 /nfs/dbraw/zinc/06/08/87/570060887.db2.gz AOHCRGBTPUFLDL-HPLYCVKXSA-N 1 1 484.710 4.877 50 0 JJAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245280754 570061871 /nfs/dbraw/zinc/06/18/71/570061871.db2.gz RSYVSFBVHDATSC-UKILVPOCSA-N 1 1 479.621 4.646 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000245325508 570064258 /nfs/dbraw/zinc/06/42/58/570064258.db2.gz AKMVLMWILAJSSI-LYZGTLIUSA-N 1 1 487.669 4.631 50 0 JJAAMO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000245325508 570064259 /nfs/dbraw/zinc/06/42/59/570064259.db2.gz AKMVLMWILAJSSI-LYZGTLIUSA-N 1 1 487.669 4.631 50 0 JJAAMO CC[C@H](C)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000245326015 570064567 /nfs/dbraw/zinc/06/45/67/570064567.db2.gz CUNNTYHKLGTTOF-AVCGJXAMSA-N 1 1 458.668 4.599 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245328786 570066012 /nfs/dbraw/zinc/06/60/12/570066012.db2.gz PRELZQDZVVFEGS-AJTFRIOCSA-N 1 1 481.706 4.973 50 0 JJAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245328786 570066013 /nfs/dbraw/zinc/06/60/13/570066013.db2.gz PRELZQDZVVFEGS-AJTFRIOCSA-N 1 1 481.706 4.973 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000245330401 570066787 /nfs/dbraw/zinc/06/67/87/570066787.db2.gz YDPVSVGGKWZDAA-BNZHZJDSSA-N 1 1 499.680 4.559 50 0 JJAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000245330401 570066789 /nfs/dbraw/zinc/06/67/89/570066789.db2.gz YDPVSVGGKWZDAA-BNZHZJDSSA-N 1 1 499.680 4.559 50 0 JJAAMO O=C(Nc1ccncc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247522453 570068521 /nfs/dbraw/zinc/06/85/21/570068521.db2.gz YAEBOBBCTQCDCY-HXUWFJFHSA-N 1 1 459.981 4.984 50 0 JJAAMO O=C(Nc1ccncc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247522453 570068523 /nfs/dbraw/zinc/06/85/23/570068523.db2.gz YAEBOBBCTQCDCY-HXUWFJFHSA-N 1 1 459.981 4.984 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000247887728 570070528 /nfs/dbraw/zinc/07/05/28/570070528.db2.gz DZAAESPYYUEWME-JJUMQRNRSA-N 1 1 497.982 4.663 50 0 JJAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000247887728 570070530 /nfs/dbraw/zinc/07/05/30/570070530.db2.gz DZAAESPYYUEWME-JJUMQRNRSA-N 1 1 497.982 4.663 50 0 JJAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)cc1 ZINC000247888058 570070560 /nfs/dbraw/zinc/07/05/60/570070560.db2.gz LNTOONPZUVKGJC-UHFFFAOYSA-N 1 1 472.564 4.702 50 0 JJAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)cc1 ZINC000247910039 570070983 /nfs/dbraw/zinc/07/09/83/570070983.db2.gz UEJPOJZNVUVWIU-XMMPIXPASA-N 1 1 498.627 4.630 50 0 JJAAMO CC(C)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988977 570072310 /nfs/dbraw/zinc/07/23/10/570072310.db2.gz LBMJPPGWFMQJEY-GOSISDBHSA-N 1 1 469.427 4.867 50 0 JJAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000248005901 570072749 /nfs/dbraw/zinc/07/27/49/570072749.db2.gz PREUNHUAUXTNGI-OAQYLSRUSA-N 1 1 480.056 4.831 50 0 JJAAMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248021654 570072899 /nfs/dbraw/zinc/07/28/99/570072899.db2.gz UVVKZMNHQMKEHV-KRWDZBQOSA-N 1 1 455.400 4.525 50 0 JJAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(OC)cc4)C3)nc3ccccc32)cc1 ZINC000248133975 570075141 /nfs/dbraw/zinc/07/51/41/570075141.db2.gz MCJRXMRJQKOUGW-JOCHJYFZSA-N 1 1 484.600 4.953 50 0 JJAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(OC)cc4)C3)nc3ccccc32)cc1 ZINC000248133975 570075142 /nfs/dbraw/zinc/07/51/42/570075142.db2.gz MCJRXMRJQKOUGW-JOCHJYFZSA-N 1 1 484.600 4.953 50 0 JJAAMO CC(C)n1c(C[N@H+]2CCC[C@@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000248176150 570076004 /nfs/dbraw/zinc/07/60/04/570076004.db2.gz VUAYVEVMUUQTEZ-LJQANCHMSA-N 1 1 469.427 4.908 50 0 JJAAMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248251121 570076855 /nfs/dbraw/zinc/07/68/55/570076855.db2.gz SJFBFNNICFFPRO-SFHVURJKSA-N 1 1 469.427 4.916 50 0 JJAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc(C(C)C)cc4)CC3)C2)nc2ccccc21 ZINC000252079272 570079804 /nfs/dbraw/zinc/07/98/04/570079804.db2.gz FCRDFLOWIKUWIM-XMMPIXPASA-N 1 1 473.665 4.740 50 0 JJAAMO COc1cccc2cc(-c3ccc(OCC(=O)N(C)C[C@@H]4CCC[N@H+]5CCCC[C@H]45)cc3)c(=O)oc21 ZINC000253410203 570097535 /nfs/dbraw/zinc/09/75/35/570097535.db2.gz MYGZERZEQIKAKD-WIOPSUGQSA-N 1 1 490.600 4.570 50 0 JJAAMO Cc1nonc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000299776732 570176129 /nfs/dbraw/zinc/17/61/29/570176129.db2.gz DLANZSBZRQMYAH-NOZRDPDXSA-N 1 1 476.577 4.722 50 0 JJAAMO Cc1nonc1CNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccc2ccccc2c1 ZINC000299776732 570176130 /nfs/dbraw/zinc/17/61/30/570176130.db2.gz DLANZSBZRQMYAH-NOZRDPDXSA-N 1 1 476.577 4.722 50 0 JJAAMO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1 ZINC000299777289 570176196 /nfs/dbraw/zinc/17/61/96/570176196.db2.gz OHQKMQNWXZHQFY-SANMLTNESA-N 1 1 488.720 4.872 50 0 JJAAMO