smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NCc3ccccc3Cl)CC23CCCCC3)cc1 ZINC000002944254 194175809 /nfs/dbraw/zinc/17/58/09/194175809.db2.gz MKTDORNQVRMURM-UHFFFAOYSA-N 1 0 499.124 4.660 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000002946904 194176315 /nfs/dbraw/zinc/17/63/15/194176315.db2.gz ZVVARXDCHRKJJZ-IRXDYDNUSA-N 1 0 471.955 4.967 50 0 JJAARO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000004016811 194369985 /nfs/dbraw/zinc/36/99/85/194369985.db2.gz XFKZJHALBQTHGK-MRXNPFEDSA-N 1 0 478.376 4.947 50 0 JJAARO Cc1cccc(N2CCN(C(=S)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)C[C@H]2C)c1 ZINC000004791542 194399712 /nfs/dbraw/zinc/39/97/12/194399712.db2.gz LMOVQMOCYLFXKH-JOCHJYFZSA-N 1 0 488.705 4.511 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757259 194394808 /nfs/dbraw/zinc/39/48/08/194394808.db2.gz AKOLLWXEYMJPOJ-AZGAKELHSA-N 1 0 469.601 4.557 50 0 JJAARO CCOc1ccccc1CNC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000009251642 194634671 /nfs/dbraw/zinc/63/46/71/194634671.db2.gz FANJFWABOFKIQS-UHFFFAOYSA-N 1 0 483.616 4.590 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cnn(-c3ccccc3Cl)c2C2CC[NH2+]CC2)cc1Cl ZINC000009639642 194843611 /nfs/dbraw/zinc/84/36/11/194843611.db2.gz KOEDKOIPFUXDAA-UHFFFAOYSA-N 1 0 475.376 4.916 50 0 JJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)[C@@H]2c2ccccc2)cc1 ZINC000009672462 194877550 /nfs/dbraw/zinc/87/75/50/194877550.db2.gz BNCMBOXWQNDJDK-IRPSRAIASA-N 1 0 498.627 4.570 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@@](=O)c2ccccc2)o1 ZINC000009731339 194930393 /nfs/dbraw/zinc/93/03/93/194930393.db2.gz HFQIAYGZQBSKNE-XIFFEERXSA-N 1 0 464.631 4.662 50 0 JJAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009910872 195021612 /nfs/dbraw/zinc/02/16/12/195021612.db2.gz LCOZJIFROSAGEX-UHFFFAOYSA-N 1 0 476.024 4.866 50 0 JJAARO Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@H](c4ccco4)[NH+]4CCCCC4)c(=O)c23)cc1 ZINC000009913294 195022350 /nfs/dbraw/zinc/02/23/50/195022350.db2.gz SRMPFMFGUGIILS-JOCHJYFZSA-N 1 0 490.629 4.760 50 0 JJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000009875064 195008076 /nfs/dbraw/zinc/00/80/76/195008076.db2.gz FPWDNHOTXIIOOJ-HSZRJFAPSA-N 1 0 455.002 4.537 50 0 JJAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000012685378 195085764 /nfs/dbraw/zinc/08/57/64/195085764.db2.gz UTUGWPSKTQMAEX-UXHICEINSA-N 1 0 465.619 4.590 50 0 JJAARO COc1ccc(C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)[C@@H](C)Cc2cccs2)cc1 ZINC000012768188 195115685 /nfs/dbraw/zinc/11/56/85/195115685.db2.gz XTIPOXSCHQGXIH-IBGZPJMESA-N 1 0 468.619 4.524 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2OCC[NH+](CC)CC)cc1 ZINC000012799754 195138519 /nfs/dbraw/zinc/13/85/19/195138519.db2.gz QAJIJQCAXDCGRT-UHFFFAOYSA-N 1 0 495.645 4.875 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012846633 195152705 /nfs/dbraw/zinc/15/27/05/195152705.db2.gz WDXCXHJGTHVUJU-XMMPIXPASA-N 1 0 466.585 4.611 50 0 JJAARO c1ccc(SCc2nc3sc4c(c3c(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)n2)CCC4)cc1 ZINC000012894224 195174601 /nfs/dbraw/zinc/17/46/01/195174601.db2.gz AWXMUJFNNCJKCY-WIYYLYMNSA-N 1 0 496.702 4.622 50 0 JJAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3n2C(C)C)CC1 ZINC000020608859 195182269 /nfs/dbraw/zinc/18/22/69/195182269.db2.gz WXGFWUQAVYSUDA-UHFFFAOYSA-N 1 0 484.044 4.734 50 0 JJAARO CCc1ccc2nc(N3CCC(C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)CC3)sc2c1 ZINC000020681158 195204115 /nfs/dbraw/zinc/20/41/15/195204115.db2.gz LSHGUSXRTDDHEC-UHFFFAOYSA-N 1 0 497.753 4.532 50 0 JJAARO CCOc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000020686907 195205154 /nfs/dbraw/zinc/20/51/54/195205154.db2.gz OGFUFAPTRXGLBA-ISJBWFOZSA-N 1 0 463.622 4.552 50 0 JJAARO O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000020727971 195208588 /nfs/dbraw/zinc/20/85/88/195208588.db2.gz DCGOIOHZSSHBPH-BWAHOGKJSA-N 1 0 479.621 4.782 50 0 JJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000020761895 195218336 /nfs/dbraw/zinc/21/83/36/195218336.db2.gz AJFJWQWWHGSNKL-RRPNLBNLSA-N 1 0 459.634 4.587 50 0 biogenic JJAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CC[NH+]1CCCCCC1 ZINC000020903411 195243312 /nfs/dbraw/zinc/24/33/12/195243312.db2.gz PIQXQDMZKKLHML-LJAQVGFWSA-N 1 0 478.681 4.961 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000020904350 195244371 /nfs/dbraw/zinc/24/43/71/195244371.db2.gz FOCFZJIGBFDPMI-KAYWLYCHSA-N 1 0 487.669 4.859 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000020904403 195244608 /nfs/dbraw/zinc/24/46/08/195244608.db2.gz LIGYPBGXMHTTCT-YNJKOYDBSA-N 1 0 467.679 4.923 50 0 JJAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)C2)cc1 ZINC000020978075 195258585 /nfs/dbraw/zinc/25/85/85/195258585.db2.gz VVMWVYCADZBQDZ-INIZCTEOSA-N 1 0 485.553 4.531 50 0 JJAARO COc1ccc(CC[N@H+](C)Cc2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)c(=O)[nH]2)cc1OC ZINC000020992990 195262717 /nfs/dbraw/zinc/26/27/17/195262717.db2.gz ITFXZADGEOIALO-FQEVSTJZSA-N 1 0 499.611 4.711 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000021095853 195275402 /nfs/dbraw/zinc/27/54/02/195275402.db2.gz KMVMYBWFSLRTQC-UHFFFAOYSA-N 1 0 475.814 4.907 50 0 JJAARO O=C(CSCc1nc2cccnc2n1C1CCCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000021109237 195277102 /nfs/dbraw/zinc/27/71/02/195277102.db2.gz MVGPZYYDZOETNB-UHFFFAOYSA-N 1 0 455.672 4.647 50 0 JJAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000021160353 195287202 /nfs/dbraw/zinc/28/72/02/195287202.db2.gz FQLDKWNTTOUHGH-UHFFFAOYSA-N 1 0 487.692 4.992 50 0 JJAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000021367931 195300091 /nfs/dbraw/zinc/30/00/91/195300091.db2.gz PSFGQFXWDLOIRE-LJQANCHMSA-N 1 0 467.953 4.561 50 0 JJAARO C[N@H+](CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526725 195305417 /nfs/dbraw/zinc/30/54/17/195305417.db2.gz OHXFAQDBVLANHY-MHZLTWQESA-N 1 0 468.642 4.552 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C)cc2)CC1 ZINC000021914275 195331712 /nfs/dbraw/zinc/33/17/12/195331712.db2.gz JIXMXVIPCUHPFG-UHFFFAOYSA-N 1 0 486.595 4.542 50 0 JJAARO Cc1cccc(C[N@H+]2CC=C(c3noc(CCC(=O)N4CCN(c5cccc(C)c5C)CC4)n3)CC2)c1 ZINC000021944978 195340187 /nfs/dbraw/zinc/34/01/87/195340187.db2.gz ZOSMXQGJVKWFGO-UHFFFAOYSA-N 1 0 499.659 4.566 50 0 JJAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 ZINC000057563034 195350820 /nfs/dbraw/zinc/35/08/20/195350820.db2.gz ZDUIKERSVMIHNC-FQEVSTJZSA-N 1 0 453.764 4.799 50 0 JJAARO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611538 195353622 /nfs/dbraw/zinc/35/36/22/195353622.db2.gz ALAJCMSTJNXVPA-CPJSRVTESA-N 1 0 462.638 4.997 50 0 JJAARO O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057622211 195353936 /nfs/dbraw/zinc/35/39/36/195353936.db2.gz IKEQBVYTYQPMDF-UHFFFAOYSA-N 1 0 458.587 4.881 50 0 JJAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058169855 195370696 /nfs/dbraw/zinc/37/06/96/195370696.db2.gz NWTASIGSKNZIDQ-LJAQVGFWSA-N 1 0 480.612 4.912 50 0 JJAARO CCn1c(SCC(=O)NCc2cccc(C[NH+](CC)CC)c2)nnc1-c1cccc(C)c1 ZINC000058218342 195374117 /nfs/dbraw/zinc/37/41/17/195374117.db2.gz OCORPXYMXZKJTL-UHFFFAOYSA-N 1 0 451.640 4.524 50 0 JJAARO CC(C)c1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000059989990 195414249 /nfs/dbraw/zinc/41/42/49/195414249.db2.gz BMWVZKBOMUEKQR-IAGOWNOFSA-N 1 0 465.564 4.896 50 0 JJAARO Cc1cc(-c2cc(S(=O)(=O)NCC3CC[NH+](Cc4cc(C)ccc4C)CC3)c(C)s2)n[nH]1 ZINC000096341465 130073645 /nfs/dbraw/zinc/07/36/45/130073645.db2.gz ILVGLGSFKYYSDY-UHFFFAOYSA-N 1 0 472.680 4.562 50 0 JJAARO Cc1ccc(OCC[NH+]2CCN(c3nc4ccccc4c(NCc4ccccc4)n3)CC2)cc1 ZINC000096503694 130111485 /nfs/dbraw/zinc/11/14/85/130111485.db2.gz WVKMVDQBWQQFOI-UHFFFAOYSA-N 1 0 453.590 4.751 50 0 JJAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4CCOCC4)cc3c2)CC1 ZINC000012245464 519417599 /nfs/dbraw/zinc/41/75/99/519417599.db2.gz ATDYGCNMCOZLDI-OAQYLSRUSA-N 1 0 454.611 4.571 50 0 JJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036309760 519635997 /nfs/dbraw/zinc/63/59/97/519635997.db2.gz WLYHIYICMQQRGF-OZXSUGGESA-N 1 0 496.648 4.706 50 0 JJAARO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@H](O)Cc1ccccc1 ZINC000036161462 519652350 /nfs/dbraw/zinc/65/23/50/519652350.db2.gz LYGLZGJXFZAWCO-UYAOXDASSA-N 1 0 453.652 4.561 50 0 JJAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014745534 519653035 /nfs/dbraw/zinc/65/30/35/519653035.db2.gz CKOQLUMQWHDAAA-UHFFFAOYSA-N 1 0 460.578 4.673 50 0 JJAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036149175 519717642 /nfs/dbraw/zinc/71/76/42/519717642.db2.gz DNCFBJSHZFZPON-RUZDIDTESA-N 1 0 463.622 4.978 50 0 JJAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1=O ZINC000014748909 519719497 /nfs/dbraw/zinc/71/94/97/519719497.db2.gz ABWWEGZTZTWLLT-UHFFFAOYSA-N 1 0 458.606 4.665 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308298 519771559 /nfs/dbraw/zinc/77/15/59/519771559.db2.gz RSYVSFBVHDATSC-ZCYQVOJMSA-N 1 0 479.621 4.646 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146073 519771578 /nfs/dbraw/zinc/77/15/78/519771578.db2.gz ZTJDULXERPKFLT-PMACEKPBSA-N 1 0 451.394 4.775 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146033 519773864 /nfs/dbraw/zinc/77/38/64/519773864.db2.gz PBUHDAYBEHVKPZ-UXHICEINSA-N 1 0 451.394 4.775 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307233 519773910 /nfs/dbraw/zinc/77/39/10/519773910.db2.gz ZOVBCGWOCXYJEF-NOZRDPDXSA-N 1 0 497.611 4.785 50 0 JJAARO CC(C)c1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012218745 519830629 /nfs/dbraw/zinc/83/06/29/519830629.db2.gz ISYZDPJTCIGUMB-OAQYLSRUSA-N 1 0 484.579 4.596 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccccc4Br)c(C)c32)CC1 ZINC000033048459 519860923 /nfs/dbraw/zinc/86/09/23/519860923.db2.gz LPOZZJUQBVVTDE-UHFFFAOYSA-N 1 0 474.428 4.547 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036248932 519880764 /nfs/dbraw/zinc/88/07/64/519880764.db2.gz BYTDJOSZRMBVFO-QFIPXVFZSA-N 1 0 459.631 4.740 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(CC)CC ZINC000036248931 519881421 /nfs/dbraw/zinc/88/14/21/519881421.db2.gz BYTDJOSZRMBVFO-JOCHJYFZSA-N 1 0 459.631 4.740 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302417 520093401 /nfs/dbraw/zinc/09/34/01/520093401.db2.gz CBHHFPGJVZUEPY-QHCPKHFHSA-N 1 0 467.610 4.837 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307822 520155923 /nfs/dbraw/zinc/15/59/23/520155923.db2.gz JXOPOUCCRWKCBZ-JOCHJYFZSA-N 1 0 453.558 4.628 50 0 JJAARO CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000016752106 520434353 /nfs/dbraw/zinc/43/43/53/520434353.db2.gz WOSAEXLIYVOECX-VWLOTQADSA-N 1 0 478.589 4.786 50 0 JJAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2 ZINC000014994850 520588742 /nfs/dbraw/zinc/58/87/42/520588742.db2.gz KPUUVCLHLYAKCD-RPBOFIJWSA-N 1 0 470.997 4.589 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005587 520618607 /nfs/dbraw/zinc/61/86/07/520618607.db2.gz GTWDGMCEMUWQBN-OAQYLSRUSA-N 1 0 490.648 4.831 50 0 JJAARO CCCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014748469 520664307 /nfs/dbraw/zinc/66/43/07/520664307.db2.gz NIBJVFRHJNVWAV-WIOPSUGQSA-N 1 0 480.649 4.626 50 0 JJAARO CCn1c2ccccc2c2sc(C(=O)Nc3ccc(C(=O)OCC[NH+](CC)CC)cc3)cc2c1=O ZINC000008599032 520692086 /nfs/dbraw/zinc/69/20/86/520692086.db2.gz PHYSTVRQRSKHIT-UHFFFAOYSA-N 1 0 491.613 4.987 50 0 JJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000016784171 520759364 /nfs/dbraw/zinc/75/93/64/520759364.db2.gz IGGNWMYBFAWFNF-AEYMSQMJSA-N 1 0 453.671 4.502 50 0 JJAARO CCOc1ccc(-c2csc3c2nc(N2CC[NH+](Cc4ccccc4)CC2)[nH]c3=O)cc1OCC ZINC000048989268 520814016 /nfs/dbraw/zinc/81/40/16/520814016.db2.gz GRJPKGIOLRRAPK-UHFFFAOYSA-N 1 0 490.629 4.771 50 0 JJAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428972 520895431 /nfs/dbraw/zinc/89/54/31/520895431.db2.gz CGWGCMAVZSROKA-XRKRLSELSA-N 1 0 450.586 4.651 50 0 JJAARO CCOC(=O)N1CCC([NH2+]C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)CC1 ZINC000012246882 520928638 /nfs/dbraw/zinc/92/86/38/520928638.db2.gz ISRSEFIQMYICDW-UHFFFAOYSA-N 1 0 492.664 4.827 50 0 JJAARO CCOc1ccc(CNC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033278802 520986006 /nfs/dbraw/zinc/98/60/06/520986006.db2.gz LFHXRWPKHKMYAU-UHFFFAOYSA-N 1 0 487.604 4.638 50 0 JJAARO CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)CC1 ZINC000095350448 521004169 /nfs/dbraw/zinc/00/41/69/521004169.db2.gz YVCZKNXALSLEIQ-QDSKXPNFSA-N 1 0 460.062 4.742 50 0 JJAARO CCOc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129368 521076403 /nfs/dbraw/zinc/07/64/03/521076403.db2.gz AIHZIHFKXHFYND-UHFFFAOYSA-N 1 0 473.577 4.961 50 0 JJAARO CCOc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCCCC4)o3)c3ccccc32)cc1 ZINC000033278781 521076430 /nfs/dbraw/zinc/07/64/30/521076430.db2.gz CWKYSEAOQLYQIR-UHFFFAOYSA-N 1 0 459.550 4.715 50 0 JJAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000014747764 521526885 /nfs/dbraw/zinc/52/68/85/521526885.db2.gz ABQVURHUEHSBMY-OAQYLSRUSA-N 1 0 488.632 4.817 50 0 JJAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1ccc(OC)cc1)CC2 ZINC000014746416 521527146 /nfs/dbraw/zinc/52/71/46/521527146.db2.gz JPUBVXCFVXSSSZ-UHFFFAOYSA-N 1 0 457.574 4.667 50 0 JJAARO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)[C@@H](C)C(C)(C)O ZINC000036310283 521534826 /nfs/dbraw/zinc/53/48/26/521534826.db2.gz QKKIBLLNTBFVAE-UNMCSNQZSA-N 1 0 458.668 4.741 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004147850 521656008 /nfs/dbraw/zinc/65/60/08/521656008.db2.gz QWAOVVDXYJPXGJ-HJANBMFISA-N 1 0 465.682 4.509 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036302826 521680215 /nfs/dbraw/zinc/68/02/15/521680215.db2.gz MVGRUZNVCYTVTA-QFIPXVFZSA-N 1 0 467.610 4.845 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036303386 521680622 /nfs/dbraw/zinc/68/06/22/521680622.db2.gz OZBRFWWTUKXIOF-QFIPXVFZSA-N 1 0 497.636 4.854 50 0 JJAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068987 521681784 /nfs/dbraw/zinc/68/17/84/521681784.db2.gz YLPLNVDANOVAMW-UHFFFAOYSA-N 1 0 479.602 4.861 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(-c4nc(-c5ccc(F)cc5)no4)c3)cc2)CC1 ZINC000033279082 521688691 /nfs/dbraw/zinc/68/86/91/521688691.db2.gz IXPFTSGITADDEM-UHFFFAOYSA-N 1 0 485.563 4.933 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(-c4nc(-c5ccccc5)no4)cc3)cc2)CC1 ZINC000033278938 521688849 /nfs/dbraw/zinc/68/88/49/521688849.db2.gz HRSWHJUQQKGPMD-UHFFFAOYSA-N 1 0 467.573 4.793 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cc2)CC1 ZINC000012352209 521699543 /nfs/dbraw/zinc/69/95/43/521699543.db2.gz UIVDJQZBHGTZJK-UHFFFAOYSA-N 1 0 453.542 4.854 50 0 JJAARO CC[NH+]1CCN(c2nc(SCc3cccc(C(=O)Nc4ccc(F)cc4)c3)nc(C)c2C)CC1 ZINC000036062962 521701024 /nfs/dbraw/zinc/70/10/24/521701024.db2.gz IMQWTEAZEZVTGH-UHFFFAOYSA-N 1 0 479.625 4.919 50 0 JJAARO COC(=O)c1sc2nc(C[N@H+](C)CCc3ccccn3)ccc2c1NC(=O)c1ccc(C)s1 ZINC000014985562 522433352 /nfs/dbraw/zinc/43/33/52/522433352.db2.gz LLFHPISAERANFR-UHFFFAOYSA-N 1 0 480.615 4.775 50 0 JJAARO CN(CCC1CCOCC1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012298774 522714338 /nfs/dbraw/zinc/71/43/38/522714338.db2.gz YVVJGZKCQVTGKQ-UHFFFAOYSA-N 1 0 450.623 4.661 50 0 JJAARO COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCC(C)C ZINC000016741921 522934004 /nfs/dbraw/zinc/93/40/04/522934004.db2.gz KDRUKAVOHGTGSA-AREMUKBSSA-N 1 0 492.616 4.950 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014743770 523289832 /nfs/dbraw/zinc/28/98/32/523289832.db2.gz XORNIAQRQTUBRK-UHFFFAOYSA-N 1 0 477.630 4.737 50 0 JJAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000014751233 523290175 /nfs/dbraw/zinc/29/01/75/523290175.db2.gz NIFRFTXJRCPIRJ-UHFFFAOYSA-N 1 0 477.630 4.737 50 0 JJAARO COCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000046055536 523313182 /nfs/dbraw/zinc/31/31/82/523313182.db2.gz SQZAZGPMQUTLND-UHFFFAOYSA-N 1 0 454.014 4.708 50 0 JJAARO COCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000008602118 523313411 /nfs/dbraw/zinc/31/34/11/523313411.db2.gz QCGLDQADWMGTHL-UHFFFAOYSA-N 1 0 454.014 4.708 50 0 JJAARO C[N@H+](Cc1[nH]nc2c1CCCCC2)C1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000012242607 523542306 /nfs/dbraw/zinc/54/23/06/523542306.db2.gz BLDIWPGZINZJQO-UHFFFAOYSA-N 1 0 489.639 4.849 50 0 JJAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000014745937 523714718 /nfs/dbraw/zinc/71/47/18/523714718.db2.gz UNWXJWHEGWDDKZ-UHFFFAOYSA-N 1 0 493.007 4.856 50 0 JJAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014748496 523717261 /nfs/dbraw/zinc/71/72/61/523717261.db2.gz MMJHCJQWOIUGDW-UHFFFAOYSA-N 1 0 452.558 4.750 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COC(C)C ZINC000036304953 523734769 /nfs/dbraw/zinc/73/47/69/523734769.db2.gz UFNSEYAARKUABD-NRFANRHFSA-N 1 0 488.028 4.767 50 0 JJAARO COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](C/C=C/c1ccccc1)CC2 ZINC000014743441 523801880 /nfs/dbraw/zinc/80/18/80/523801880.db2.gz XGLDCMBKFIAXAB-DHZHZOJOSA-N 1 0 483.612 4.798 50 0 JJAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)CC2)s1 ZINC000033078233 523848088 /nfs/dbraw/zinc/84/80/88/523848088.db2.gz ZXKHVWCDRMFZTC-UHFFFAOYSA-N 1 0 491.705 4.807 50 0 JJAARO CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000036309418 523873301 /nfs/dbraw/zinc/87/33/01/523873301.db2.gz CUNNTYHKLGTTOF-ZEYPLWLESA-N 1 0 458.668 4.599 50 0 JJAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)cc1 ZINC000014733125 523944778 /nfs/dbraw/zinc/94/47/78/523944778.db2.gz OTKCKJZXZWXWSI-UHFFFAOYSA-N 1 0 499.611 4.959 50 0 JJAARO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035564 523979383 /nfs/dbraw/zinc/97/93/83/523979383.db2.gz HQPCQTWVEPBZJS-XMMPIXPASA-N 1 0 450.627 4.732 50 0 JJAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4cccc(Oc5ccccc5)c4)CC3)C2=O)cc1 ZINC000014740990 524019129 /nfs/dbraw/zinc/01/91/29/524019129.db2.gz AXIWDJNPGLABCP-UHFFFAOYSA-N 1 0 485.584 4.916 50 0 JJAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+]([C@H](C)Cc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000014744050 524019521 /nfs/dbraw/zinc/01/95/21/524019521.db2.gz RUBWIXDKQXLVRW-GOSISDBHSA-N 1 0 489.538 4.574 50 0 JJAARO COc1ccccc1C(=O)N(CC[NH+](C)C)Cc1csc(COc2cccc(C)c2C)n1 ZINC000036114319 524337687 /nfs/dbraw/zinc/33/76/87/524337687.db2.gz DFPTZZFMDIEQEF-UHFFFAOYSA-N 1 0 453.608 4.552 50 0 JJAARO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4c3)CC2)c(C)c1 ZINC000012282752 524440918 /nfs/dbraw/zinc/44/09/18/524440918.db2.gz BILDVYVJYVQECA-SZPZYZBQSA-N 1 0 476.617 4.783 50 0 JJAARO C[C@H]1CCc2nc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)sc2C1 ZINC000022799237 524442566 /nfs/dbraw/zinc/44/25/66/524442566.db2.gz FGFIICWMBVSEEM-FQEVSTJZSA-N 1 0 460.647 4.614 50 0 JJAARO COc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1OC ZINC000033129352 524529727 /nfs/dbraw/zinc/52/97/27/524529727.db2.gz IOLOLHSHTIGNMQ-UHFFFAOYSA-N 1 0 489.576 4.579 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305829 524695575 /nfs/dbraw/zinc/69/55/75/524695575.db2.gz OSMJARFQOUIRQG-QFIPXVFZSA-N 1 0 465.594 4.638 50 0 JJAARO C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000014883397 524720636 /nfs/dbraw/zinc/72/06/36/524720636.db2.gz KZPYNMBURYZDBI-NRFANRHFSA-N 1 0 472.585 4.992 50 0 JJAARO COc1ccc(OC)c(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2cc(OC)ccc2OC)c1 ZINC000002916674 524801510 /nfs/dbraw/zinc/80/15/10/524801510.db2.gz KBFFWHMVJRPAQY-IMYWFDTISA-N 1 0 460.534 4.502 50 0 JJAARO COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046006663 524989849 /nfs/dbraw/zinc/98/98/49/524989849.db2.gz HLMKCQBINNNVJA-UHFFFAOYSA-N 1 0 497.643 4.759 50 0 JJAARO Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021654474 525012639 /nfs/dbraw/zinc/01/26/39/525012639.db2.gz CWLSLERXEKIYBS-UHFFFAOYSA-N 1 0 496.655 4.690 50 0 JJAARO Cc1ccccc1Cc1nc2cccnc2n1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012242605 525203301 /nfs/dbraw/zinc/20/33/01/525203301.db2.gz DUIGPYPPERSMCF-UHFFFAOYSA-N 1 0 454.574 4.939 50 0 JJAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016483708 525392039 /nfs/dbraw/zinc/39/20/39/525392039.db2.gz XSHFDOUPNILLEB-OAQYLSRUSA-N 1 0 477.630 4.567 50 0 JJAARO CSCCC[N@@H+]1C[C@H](Sc2ccccn2)C[C@H]1C(=O)Nc1ccc2sc(C)nc2c1 ZINC000014977176 525450456 /nfs/dbraw/zinc/45/04/56/525450456.db2.gz CLGHXEOPQLEZJW-MJGOQNOKSA-N 1 0 458.678 4.927 50 0 JJAARO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022502203 525657368 /nfs/dbraw/zinc/65/73/68/525657368.db2.gz NNZPDRJCFPRLJG-UHFFFAOYSA-N 1 0 457.500 4.512 50 0 JJAARO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)c1 ZINC000012371612 525705780 /nfs/dbraw/zinc/70/57/80/525705780.db2.gz DDTOXYXZWVFIFO-LAUBAEHRSA-N 1 0 488.510 4.845 50 0 JJAARO COc1cccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@H]3c2cccc(OC)c2OC)c1OC ZINC000002916651 525765497 /nfs/dbraw/zinc/76/54/97/525765497.db2.gz GVUHAWSWBCXULQ-LKVFMFGUSA-N 1 0 460.534 4.502 50 0 JJAARO C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021857233 525790679 /nfs/dbraw/zinc/79/06/79/525790679.db2.gz YPJBLSVPLKSOML-PMERELPUSA-N 1 0 484.644 4.579 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000021864569 525794008 /nfs/dbraw/zinc/79/40/08/525794008.db2.gz JGHVLOQMPKTXKU-NDEPHWFRSA-N 1 0 480.653 4.678 50 0 JJAARO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)CC3)c1 ZINC000014992502 525825869 /nfs/dbraw/zinc/82/58/69/525825869.db2.gz SUOLYEGGMFNHSH-NRFANRHFSA-N 1 0 481.600 4.503 50 0 JJAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000065010148 525968510 /nfs/dbraw/zinc/96/85/10/525968510.db2.gz GRPOUWNZEYYEMY-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO C[C@@H](Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3)C(=O)Nc1cccc(F)c1 ZINC000016796274 526005299 /nfs/dbraw/zinc/00/52/99/526005299.db2.gz MILWQLASCUUGAH-OAHLLOKOSA-N 1 0 488.654 4.547 50 0 JJAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc4nsnc4c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014994304 526071517 /nfs/dbraw/zinc/07/15/17/526071517.db2.gz HRZNOQJMOXUASE-VWLOTQADSA-N 1 0 490.629 4.888 50 0 JJAARO CSc1ccccc1C(=O)NCc1nc(-c2cccc(NC(=O)[C@H]3CCC[N@H+](C)C3)c2)oc1C ZINC000012245004 526151929 /nfs/dbraw/zinc/15/19/29/526151929.db2.gz UFARZPXSSMNQDK-IBGZPJMESA-N 1 0 478.618 4.582 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147161 526285003 /nfs/dbraw/zinc/28/50/03/526285003.db2.gz FCLDFVNKIDREPH-LADGPHEKSA-N 1 0 454.954 4.506 50 0 JJAARO Fc1cccc(CN2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c1F ZINC000014981793 526386492 /nfs/dbraw/zinc/38/64/92/526386492.db2.gz JWNBCDJDBJWTPY-UHFFFAOYSA-N 1 0 465.544 4.798 50 0 JJAARO O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033072861 526467144 /nfs/dbraw/zinc/46/71/44/526467144.db2.gz LRARLHGDQDNIMU-UHFFFAOYSA-N 1 0 485.607 4.722 50 0 JJAARO O=C(CCCc1nc2cccnc2n1Cc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033072563 526467635 /nfs/dbraw/zinc/46/76/35/526467635.db2.gz NGBRCFOMTPHXEF-UHFFFAOYSA-N 1 0 467.617 4.583 50 0 JJAARO O=C(C[N@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309649 526697599 /nfs/dbraw/zinc/69/75/99/526697599.db2.gz JWRVLCRQHWDRQV-UIOOFZCWSA-N 1 0 494.632 4.838 50 0 JJAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCCC[C@H]1CCCO ZINC000012464028 526706584 /nfs/dbraw/zinc/70/65/84/526706584.db2.gz DMDGSNNAESPBAH-VWLOTQADSA-N 1 0 450.623 4.540 50 0 JJAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000014990151 526802361 /nfs/dbraw/zinc/80/23/61/526802361.db2.gz KQEPUFOYSUCQFU-MUUNZHRXSA-N 1 0 494.607 4.694 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997616 527037142 /nfs/dbraw/zinc/03/71/42/527037142.db2.gz MYHCZWQXEFZLIJ-BXUZGUMPSA-N 1 0 490.576 4.897 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C4)cs1 ZINC000014988257 527037303 /nfs/dbraw/zinc/03/73/03/527037303.db2.gz FINUADFHLJLHCB-DOMZBBRYSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997611 527037319 /nfs/dbraw/zinc/03/73/19/527037319.db2.gz MYHCZWQXEFZLIJ-RISCZKNCSA-N 1 0 490.576 4.897 50 0 JJAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](Cc3ccccc3)CC2)N1Cc1ccccc1 ZINC000014745047 527038341 /nfs/dbraw/zinc/03/83/41/527038341.db2.gz REYKAINXYONUOL-UHFFFAOYSA-N 1 0 468.601 4.513 50 0 JJAARO Cn1c(CC[NH2+]C2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)nc2ccccc21 ZINC000012245556 527050704 /nfs/dbraw/zinc/05/07/04/527050704.db2.gz JAOYMMPFXBMWFA-UHFFFAOYSA-N 1 0 459.638 4.893 50 0 JJAARO O=C(Nc1ccc(N2CCC([N@@H+]3CCC[C@H](c4ccccc4)CC3)CC2)cc1)c1cnccn1 ZINC000039356555 527221236 /nfs/dbraw/zinc/22/12/36/527221236.db2.gz RYKGRNYJLHZBKH-QHCPKHFHSA-N 1 0 455.606 4.967 50 0 JJAARO O=C(Nc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000012332980 527290132 /nfs/dbraw/zinc/29/01/32/527290132.db2.gz QIPYRKOFGNFNBR-UHFFFAOYSA-N 1 0 470.525 4.897 50 0 JJAARO O=C(Nc1cccc(N2CCC([NH+]3CCC([C@H](O)c4cccs4)CC3)CC2)c1)c1cccnc1 ZINC000014880800 527356441 /nfs/dbraw/zinc/35/64/41/527356441.db2.gz BXHQWVFVNALXPX-SANMLTNESA-N 1 0 476.646 4.810 50 0 JJAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@H]([NH2+]Cc1ccc(F)cc1F)CC3 ZINC000019811929 527460141 /nfs/dbraw/zinc/46/01/41/527460141.db2.gz DQELRHQMJRWDRJ-LJQANCHMSA-N 1 0 463.553 4.723 50 0 JJAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@H]([NH2+]Cc1ccc(F)c(F)c1)CC3 ZINC000014883537 527460769 /nfs/dbraw/zinc/46/07/69/527460769.db2.gz BMMGLYYNHOFRPC-GOSISDBHSA-N 1 0 463.553 4.723 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515285 527531059 /nfs/dbraw/zinc/53/10/59/527531059.db2.gz BPRAABAQMWJFAU-YTTGMZPUSA-N 1 0 471.022 4.776 50 0 JJAARO O[C@@](c1ccccc1)(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440868 527680383 /nfs/dbraw/zinc/68/03/83/527680383.db2.gz GKWKQOZLNYGLLH-RPBOFIJWSA-N 1 0 452.392 4.801 50 0 JJAARO CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000002405439 554188327 /nfs/dbraw/zinc/18/83/27/554188327.db2.gz LQUSEIOQGXKOLG-RUZDIDTESA-N 1 0 478.589 4.868 50 0 JJAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(OC(F)(F)C(F)F)c1 ZINC000002760238 554331167 /nfs/dbraw/zinc/33/11/67/554331167.db2.gz UXWBXUWRDRMBDT-UHFFFAOYSA-N 1 0 452.452 4.867 50 0 JJAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000002791717 554347080 /nfs/dbraw/zinc/34/70/80/554347080.db2.gz QVRPVNOJLMTZRC-UHFFFAOYSA-N 1 0 477.466 4.548 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000002890259 554408712 /nfs/dbraw/zinc/40/87/12/554408712.db2.gz AFROGZLFPMZUBK-QFIPXVFZSA-N 1 0 499.405 4.841 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000002890289 554408717 /nfs/dbraw/zinc/40/87/17/554408717.db2.gz CQWNGDUNMGGXTN-JOCHJYFZSA-N 1 0 454.954 4.732 50 0 JJAARO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000006475578 554545038 /nfs/dbraw/zinc/54/50/38/554545038.db2.gz BDLYINSGUMXUTK-LJQANCHMSA-N 1 0 455.389 4.679 50 0 aggregator JJAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5c(c4)OCCO5)=NN23)cc1 ZINC000008838223 554739540 /nfs/dbraw/zinc/73/95/40/554739540.db2.gz JOUIYVNIHLAGFW-RUZDIDTESA-N 1 0 467.569 4.994 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000008912809 554803490 /nfs/dbraw/zinc/80/34/90/554803490.db2.gz IHYDDBVYUNOGKR-HDICACEKSA-N 1 0 483.657 4.969 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000008913474 554805674 /nfs/dbraw/zinc/80/56/74/554805674.db2.gz KYQGQFOZDFHXFD-UHFFFAOYSA-N 1 0 471.630 4.598 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008913493 554805851 /nfs/dbraw/zinc/80/58/51/554805851.db2.gz JBXXDOQVVFLSSA-UHFFFAOYSA-N 1 0 473.646 4.844 50 0 JJAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000008916625 554810980 /nfs/dbraw/zinc/81/09/80/554810980.db2.gz SUVBDWQXLWTGRI-MUUNZHRXSA-N 1 0 470.592 4.873 50 0 JJAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc(Br)c1OC ZINC000008923433 554820601 /nfs/dbraw/zinc/82/06/01/554820601.db2.gz WSUZAAXSJQWSDN-SFHVURJKSA-N 1 0 466.401 4.723 50 0 JJAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009050143 554871701 /nfs/dbraw/zinc/87/17/01/554871701.db2.gz VOLSNRPWHYFOJQ-FQEVSTJZSA-N 1 0 485.584 4.610 50 0 JJAARO CC1CC[NH+](CCc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2C)CC1 ZINC000009124287 554915238 /nfs/dbraw/zinc/91/52/38/554915238.db2.gz ZWEUBVKMSRDODW-UHFFFAOYSA-N 1 0 455.400 4.863 50 0 JJAARO Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)N(C)C3CC[NH+](C)CC3)c(=O)oc12 ZINC000009184305 554956480 /nfs/dbraw/zinc/95/64/80/554956480.db2.gz ZDMXDPIKSNKFPH-UHFFFAOYSA-N 1 0 458.558 4.918 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227203 555000076 /nfs/dbraw/zinc/00/00/76/555000076.db2.gz AHKWDSAXALTTQR-UHFFFAOYSA-N 1 0 468.985 4.879 50 0 JJAARO C[C@@H](CNC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1)c1ccccc1 ZINC000009251634 555026037 /nfs/dbraw/zinc/02/60/37/555026037.db2.gz XOXTYURKEAIKCH-QHCPKHFHSA-N 1 0 467.617 4.795 50 0 JJAARO C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265100 555040585 /nfs/dbraw/zinc/04/05/85/555040585.db2.gz YFXYVSMELLLBQH-HXUWFJFHSA-N 1 0 475.589 4.929 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)CC1 ZINC000009265181 555040868 /nfs/dbraw/zinc/04/08/68/555040868.db2.gz PUHHIIYKLUSLLJ-UHFFFAOYSA-N 1 0 481.568 4.787 50 0 JJAARO Cc1nn([C@H](C)C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2c3ccccc3sc21 ZINC000009288980 555062949 /nfs/dbraw/zinc/06/29/49/555062949.db2.gz UPBDGIIRYYVLTF-HXUWFJFHSA-N 1 0 476.646 4.898 50 0 JJAARO Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@@H](c4ccccc4)[NH+]4CCCC4)c(=O)c23)cc1 ZINC000009376499 555137281 /nfs/dbraw/zinc/13/72/81/555137281.db2.gz NRASDIGVQIUJPU-DEOSSOPVSA-N 1 0 486.641 4.777 50 0 JJAARO Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@H](c4ccccc4)[NH+]4CCCC4)c(=O)c23)cc1 ZINC000009376500 555137427 /nfs/dbraw/zinc/13/74/27/555137427.db2.gz NRASDIGVQIUJPU-XMMPIXPASA-N 1 0 486.641 4.777 50 0 JJAARO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009377048 555138348 /nfs/dbraw/zinc/13/83/48/555138348.db2.gz VEIFFEQIXICOIJ-UHFFFAOYSA-N 1 0 476.042 4.512 50 0 JJAARO O=C(c1cn(Cc2ccccc2Cl)nc1-c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000009411897 555178870 /nfs/dbraw/zinc/17/88/70/555178870.db2.gz NYHWBOCVKSPBHY-UHFFFAOYSA-N 1 0 457.965 4.609 50 0 JJAARO Cc1cc(N2CC[NH+](Cn3cc(CC(=O)N4CCCCC4)c4ccccc43)CC2)nc2ccccc12 ZINC000009423069 555187985 /nfs/dbraw/zinc/18/79/85/555187985.db2.gz VWIAYKUHLBNURD-UHFFFAOYSA-N 1 0 481.644 4.833 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)CC2)c1 ZINC000009432396 555201532 /nfs/dbraw/zinc/20/15/32/555201532.db2.gz KEVATEMXSRYOAY-SVBPBHIXSA-N 1 0 487.669 4.995 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCC(C)CC2)[C@H]1c1cccs1 ZINC000009433050 555202815 /nfs/dbraw/zinc/20/28/15/555202815.db2.gz IATKEGZGLZECIE-LOSJGSFVSA-N 1 0 467.679 4.923 50 0 JJAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000009434160 555205123 /nfs/dbraw/zinc/20/51/23/555205123.db2.gz BUMQYQRREJGPTD-QFIPXVFZSA-N 1 0 493.003 4.550 50 0 JJAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3OC)=NN12 ZINC000009462707 555231739 /nfs/dbraw/zinc/23/17/39/555231739.db2.gz PXPIZIZGRDFUOB-FQEVSTJZSA-N 1 0 456.384 4.813 50 0 JJAARO COC(=O)c1c(NC(=O)c2ccccc2I)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000009639733 555349112 /nfs/dbraw/zinc/34/91/12/555349112.db2.gz UWZRMFFNTPTYGZ-UHFFFAOYSA-N 1 0 498.386 4.551 50 0 JJAARO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCCC1)NCc1ccccc1 ZINC000009665102 555375484 /nfs/dbraw/zinc/37/54/84/555375484.db2.gz ZLGQAMFUISSXSL-UHFFFAOYSA-N 1 0 492.670 4.506 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1NC(=O)C1=CSCCO1 ZINC000009739269 555470883 /nfs/dbraw/zinc/47/08/83/555470883.db2.gz GGAHWWQSIHFURL-UHFFFAOYSA-N 1 0 486.037 4.525 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000009763422 555488877 /nfs/dbraw/zinc/48/88/77/555488877.db2.gz ONPLQMIDRVPOPZ-UHFFFAOYSA-N 1 0 453.630 4.910 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000009792902 555511363 /nfs/dbraw/zinc/51/13/63/555511363.db2.gz QXYHOMSJBKEVQE-UHFFFAOYSA-N 1 0 471.992 4.982 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cccc(OCc3c(C)noc3C)c2)[NH+]2CCCCC2)cc1 ZINC000009820679 555523524 /nfs/dbraw/zinc/52/35/24/555523524.db2.gz YUIPDFUXMSIITB-SANMLTNESA-N 1 0 463.578 4.836 50 0 JJAARO O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@@H]([NH2+]Cc1ccccc1Cl)CC3 ZINC000019885540 555528746 /nfs/dbraw/zinc/52/87/46/555528746.db2.gz HBFQIQGIPIXTQM-KRWDZBQOSA-N 1 0 453.970 4.946 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1 ZINC000009841111 555543856 /nfs/dbraw/zinc/54/38/56/555543856.db2.gz VMLMDIOVVBTYIN-HSZRJFAPSA-N 1 0 494.709 4.503 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@H+](CC)Cc4ccccc4)C3)sc2c1 ZINC000009848142 555549836 /nfs/dbraw/zinc/54/98/36/555549836.db2.gz NPRWQVHLSKVUNA-QFIPXVFZSA-N 1 0 480.678 4.940 50 0 JJAARO O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH+](C2CCCCC2)CC1 ZINC000019947049 555563468 /nfs/dbraw/zinc/56/34/68/555563468.db2.gz ZHIGFOFKDARGBJ-NRFANRHFSA-N 1 0 470.455 4.868 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C3CC(C)(C)[NH2+]C(C)(C)C3)CO4)c2=O)cc1OC ZINC000013692101 555586511 /nfs/dbraw/zinc/58/65/11/555586511.db2.gz WYMUZIMPRJOSAQ-UHFFFAOYSA-N 1 0 478.589 4.938 50 0 biogenic JJAARO CCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104170 555636204 /nfs/dbraw/zinc/63/62/04/555636204.db2.gz SRFRGBIIRYDEIG-WUFINQPMSA-N 1 0 489.660 4.863 50 0 JJAARO C[NH+]1CCN(CCCN(Cc2cccs2)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020107883 555642184 /nfs/dbraw/zinc/64/21/84/555642184.db2.gz VQPPZKQFBLBCCA-UHFFFAOYSA-N 1 0 456.603 4.603 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000013898360 555644887 /nfs/dbraw/zinc/64/48/87/555644887.db2.gz HCKILWKRQFZKBW-UHFFFAOYSA-N 1 0 456.586 4.899 50 0 JJAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(OCc4ccccc4)c(OC)c3)CC2)cc1 ZINC000013940337 555650876 /nfs/dbraw/zinc/65/08/76/555650876.db2.gz QXTDLYLECMZIMC-UHFFFAOYSA-N 1 0 474.601 4.811 50 0 JJAARO O=C1c2ccccc2[C@@H](OC2CC[NH+](Cc3ccccc3)CC2)N1Cc1ccc2c(c1)OCO2 ZINC000013942539 555653658 /nfs/dbraw/zinc/65/36/58/555653658.db2.gz KSOOGPDMMADJPE-MUUNZHRXSA-N 1 0 456.542 4.751 50 0 JJAARO Cc1ncsc1CCCNC(=O)CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000020119006 555655208 /nfs/dbraw/zinc/65/52/08/555655208.db2.gz PZBDIWGQYVQSOC-HSZRJFAPSA-N 1 0 453.583 4.665 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179296 555684620 /nfs/dbraw/zinc/68/46/20/555684620.db2.gz OKNJXNCEQOILIC-DIBXZPPDSA-N 1 0 485.559 4.618 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(OC)cc1)S2 ZINC000020179645 555685590 /nfs/dbraw/zinc/68/55/90/555685590.db2.gz WWBBVLDZRKXKTI-ULJHMMPZSA-N 1 0 467.635 4.657 50 0 JJAARO O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000020181082 555687591 /nfs/dbraw/zinc/68/75/91/555687591.db2.gz VOHSBMVACMBHAF-HAVVHWLPSA-N 1 0 470.038 4.812 50 0 JJAARO O=c1c2c(ncn1Cc1cccc(C(F)(F)F)c1)sc1c2CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000020235613 555728221 /nfs/dbraw/zinc/72/82/21/555728221.db2.gz ITLBQKRMVUNPQG-SFHVURJKSA-N 1 0 470.520 4.567 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000020240524 555735531 /nfs/dbraw/zinc/73/55/31/555735531.db2.gz HFQIAYGZQBSKNE-MGBGTMOVSA-N 1 0 464.631 4.662 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cc2)CC1 ZINC000010865538 555744209 /nfs/dbraw/zinc/74/42/09/555744209.db2.gz RQRJBYUAERZHFH-SANMLTNESA-N 1 0 455.558 4.535 50 0 JJAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000014248711 555751863 /nfs/dbraw/zinc/75/18/63/555751863.db2.gz QLHJVPXTKJUXBC-FQEVSTJZSA-N 1 0 465.619 4.820 50 0 JJAARO CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000011614742 555791624 /nfs/dbraw/zinc/79/16/24/555791624.db2.gz GQXSERKLPVTMOE-RUZDIDTESA-N 1 0 478.589 4.786 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000011652448 555794414 /nfs/dbraw/zinc/79/44/14/555794414.db2.gz YYNLZHXGEQJXFC-VXKWHMMOSA-N 1 0 462.421 4.701 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531112 555798520 /nfs/dbraw/zinc/79/85/20/555798520.db2.gz QYLXVULXXMQLLL-HHHXNRCGSA-N 1 0 471.576 4.551 50 0 JJAARO CC(C)C[C@@H](C(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O ZINC000020531413 555799060 /nfs/dbraw/zinc/79/90/60/555799060.db2.gz AIHRZVKQVYKQNF-VWLOTQADSA-N 1 0 468.041 4.739 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000020532229 555801307 /nfs/dbraw/zinc/80/13/07/555801307.db2.gz KXBYMPFDCKEDQN-MRXNPFEDSA-N 1 0 454.596 4.817 50 0 JJAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccccc2Br)CC1 ZINC000020532294 555801734 /nfs/dbraw/zinc/80/17/34/555801734.db2.gz RTQWDLHIAFZRAQ-UHFFFAOYSA-N 1 0 460.372 4.696 50 0 JJAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(C[C@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000011782308 555812702 /nfs/dbraw/zinc/81/27/02/555812702.db2.gz GWXRDQNDNHCOMQ-FQEVSTJZSA-N 1 0 456.608 4.675 50 0 JJAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](Cc3ccccc3Cl)CC2)N1CCc1ccccc1 ZINC000014530907 555817977 /nfs/dbraw/zinc/81/79/77/555817977.db2.gz YVVNSSHGYZLRAS-UHFFFAOYSA-N 1 0 489.019 4.777 50 0 JJAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014531417 555818683 /nfs/dbraw/zinc/81/86/83/555818683.db2.gz MSOYVCYUKVOMMQ-UHFFFAOYSA-N 1 0 470.617 4.590 50 0 JJAARO CC1(C)CCC[C@@H]([NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)C1 ZINC000014531910 555819368 /nfs/dbraw/zinc/81/93/68/555819368.db2.gz ZQJHKGRBNICRGV-RUZDIDTESA-N 1 0 474.649 4.892 50 0 JJAARO CCC(CC)[NH+]1CCN(c2ccc3nc(C(=O)NCc4cccc(Cl)c4)ccc3n2)CC1 ZINC000020565376 555819776 /nfs/dbraw/zinc/81/97/76/555819776.db2.gz NVXWRWOQYIVSTR-UHFFFAOYSA-N 1 0 452.002 4.524 50 0 JJAARO CC(=O)Nc1ccc(CN2CCOc3ccc(C[NH+]4CCN(c5ccc(F)cc5)CC4)cc3C2)cc1 ZINC000011790571 555826616 /nfs/dbraw/zinc/82/66/16/555826616.db2.gz IGDIKIJEQZICOM-UHFFFAOYSA-N 1 0 488.607 4.501 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014537567 555827076 /nfs/dbraw/zinc/82/70/76/555827076.db2.gz DGLXHOKHFYVWSG-HSZRJFAPSA-N 1 0 475.633 4.831 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)N1CCc1ccccc1 ZINC000014538629 555828312 /nfs/dbraw/zinc/82/83/12/555828312.db2.gz QNJSXZKTRLEEGY-UHFFFAOYSA-N 1 0 493.611 4.605 50 0 JJAARO O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000011815211 555830259 /nfs/dbraw/zinc/83/02/59/555830259.db2.gz LREWQXZWMDBFGX-RUZDIDTESA-N 1 0 469.629 4.758 50 0 JJAARO COc1ccc(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)cc1Cn1cccn1 ZINC000011817187 555831245 /nfs/dbraw/zinc/83/12/45/555831245.db2.gz DILDPTJMZQWOPK-UHFFFAOYSA-N 1 0 473.539 4.776 50 0 JJAARO COc1cccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccsc2)[C@@H]3OC)c1 ZINC000011838866 555832115 /nfs/dbraw/zinc/83/21/15/555832115.db2.gz KGBTZBAONXLPTF-RPBOFIJWSA-N 1 0 462.615 4.790 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cccc(OC(F)(F)F)c1 ZINC000015000395 555845143 /nfs/dbraw/zinc/84/51/43/555845143.db2.gz DLFFULXUPSAKET-MRXNPFEDSA-N 1 0 470.875 4.638 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCC2)cc1 ZINC000011905214 555853339 /nfs/dbraw/zinc/85/33/39/555853339.db2.gz WNZKFQLFCQBVJH-OAQYLSRUSA-N 1 0 470.367 4.680 50 0 JJAARO CC[C@@H](C)c1ccc(-c2csc(Cn3c(CN4CC[NH+](C)CC4)nc4ccccc4c3=O)n2)cc1 ZINC000022030292 555864553 /nfs/dbraw/zinc/86/45/53/555864553.db2.gz GILSLIZEYPBWAI-HXUWFJFHSA-N 1 0 487.673 4.829 50 0 JJAARO O[C@H](CO[C@H]1CCCc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022039049 555865571 /nfs/dbraw/zinc/86/55/71/555865571.db2.gz DIFYWVGMEXSQHY-YTMVLYRLSA-N 1 0 456.630 4.849 50 0 JJAARO COc1cc(OC)c(C2=CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c(OC)c1 ZINC000011918893 555869277 /nfs/dbraw/zinc/86/92/77/555869277.db2.gz XVZPRGMUOYNANZ-UHFFFAOYSA-N 1 0 450.579 4.628 50 0 JJAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012004661 555883402 /nfs/dbraw/zinc/88/34/02/555883402.db2.gz NNSGTUSDURZEGU-JOCHJYFZSA-N 1 0 459.512 4.582 50 0 JJAARO COc1ccccc1NC(=O)CC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022199758 555884192 /nfs/dbraw/zinc/88/41/92/555884192.db2.gz BLCJAWKCDVKNIN-UHFFFAOYSA-N 1 0 465.544 4.709 50 0 JJAARO C[C@H](NC(=O)c1ccc(N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1)c1ccccc1 ZINC000012036137 555889115 /nfs/dbraw/zinc/88/91/15/555889115.db2.gz ALWVMWDWWXUZAA-DEOSSOPVSA-N 1 0 468.645 4.969 50 0 JJAARO COc1cc(Cl)c(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1OC ZINC000012042480 555894817 /nfs/dbraw/zinc/89/48/17/555894817.db2.gz JCFNZRFRUDXPHJ-GOSISDBHSA-N 1 0 477.074 4.715 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319706 555897566 /nfs/dbraw/zinc/89/75/66/555897566.db2.gz NFAWVCDHKYVBKD-UTKZUKDTSA-N 1 0 488.510 4.845 50 0 JJAARO CC[NH+](CC)CCn1c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)nc2ccccc21 ZINC000022284898 555917624 /nfs/dbraw/zinc/91/76/24/555917624.db2.gz ZOJCJJBNKUNRME-UHFFFAOYSA-N 1 0 461.566 4.814 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2ccc(Br)cc2s1 ZINC000012140847 555919793 /nfs/dbraw/zinc/91/97/93/555919793.db2.gz MBWSAYGESSPILY-UHFFFAOYSA-N 1 0 490.423 4.834 50 0 JJAARO CC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000012140949 555920160 /nfs/dbraw/zinc/92/01/60/555920160.db2.gz ZMMQCMPOXHEWRI-UHFFFAOYSA-N 1 0 460.397 4.860 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCCC3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000012150723 555923147 /nfs/dbraw/zinc/92/31/47/555923147.db2.gz LACKEPSGQJTDMB-DEOSSOPVSA-N 1 0 475.677 4.602 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCCC3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000012150722 555923162 /nfs/dbraw/zinc/92/31/62/555923162.db2.gz LACKEPSGQJTDMB-XMMPIXPASA-N 1 0 475.677 4.602 50 0 JJAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012151313 555923826 /nfs/dbraw/zinc/92/38/26/555923826.db2.gz GIAKPWNDMCFGAJ-RUZDIDTESA-N 1 0 483.616 4.528 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015678194 555943018 /nfs/dbraw/zinc/94/30/18/555943018.db2.gz WIVDDMGHYVHVDT-NDEPHWFRSA-N 1 0 480.653 4.678 50 0 JJAARO c1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)nc1 ZINC000012247921 555947269 /nfs/dbraw/zinc/94/72/69/555947269.db2.gz RRHRYGZMAPGAJJ-QHCPKHFHSA-N 1 0 455.672 4.904 50 0 JJAARO C[NH+](C)CCN(C(=O)CSc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012342176 555954639 /nfs/dbraw/zinc/95/46/39/555954639.db2.gz UOHUIGDYSHQESY-UHFFFAOYSA-N 1 0 450.427 4.746 50 0 JJAARO CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c1 ZINC000015727067 555966316 /nfs/dbraw/zinc/96/63/16/555966316.db2.gz DZNQJXOPOVFSIE-UHFFFAOYSA-N 1 0 452.530 4.528 50 0 JJAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000022911974 555967583 /nfs/dbraw/zinc/96/75/83/555967583.db2.gz CNOVIYRIFQYVNT-UHFFFAOYSA-N 1 0 491.651 4.560 50 0 JJAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000012383491 555971628 /nfs/dbraw/zinc/97/16/28/555971628.db2.gz YCFSCTSMWHIZHJ-MRXNPFEDSA-N 1 0 453.384 4.664 50 0 JJAARO C[C@@H]1C[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@@H](C)O1 ZINC000012436520 555979893 /nfs/dbraw/zinc/97/98/93/555979893.db2.gz JYYUZJCGIJKDKE-CKEIUWERSA-N 1 0 496.243 4.790 50 0 JJAARO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)c1 ZINC000012536182 556009040 /nfs/dbraw/zinc/00/90/40/556009040.db2.gz CBBXMKIBCMXNSM-UHFFFAOYSA-N 1 0 469.651 4.714 50 0 JJAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)c2)on1 ZINC000015827733 556014893 /nfs/dbraw/zinc/01/48/93/556014893.db2.gz RMBJECGDJDQVQL-UHFFFAOYSA-N 1 0 474.026 4.802 50 0 JJAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)CC2)cc1 ZINC000023244786 556033730 /nfs/dbraw/zinc/03/37/30/556033730.db2.gz ZIEJZVLALYCLQM-UHFFFAOYSA-N 1 0 454.574 4.691 50 0 JJAARO C[N@H+](CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12)Cc1ccccc1 ZINC000015863492 556037823 /nfs/dbraw/zinc/03/78/23/556037823.db2.gz CIWWBAVOFHVNDK-UHFFFAOYSA-N 1 0 454.596 4.714 50 0 JJAARO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000012561505 556054746 /nfs/dbraw/zinc/05/47/46/556054746.db2.gz RFDWBDBJZPGSDV-HSZRJFAPSA-N 1 0 472.416 4.678 50 0 JJAARO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012567197 556066009 /nfs/dbraw/zinc/06/60/09/556066009.db2.gz MGTVUTWDETZWQY-GJZGRUSLSA-N 1 0 455.908 4.873 50 0 JJAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(Cl)c1 ZINC000012567199 556066029 /nfs/dbraw/zinc/06/60/29/556066029.db2.gz MGTVUTWDETZWQY-CABCVRRESA-N 1 0 455.908 4.873 50 0 JJAARO CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](CC)C5)o2)cc1 ZINC000015947303 556085260 /nfs/dbraw/zinc/08/52/60/556085260.db2.gz INKYTCOXKZMSMS-OAQYLSRUSA-N 1 0 451.548 4.992 50 0 JJAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000015971734 556096689 /nfs/dbraw/zinc/09/66/89/556096689.db2.gz NRKJPEUBGHBDRE-JTPXSGRQSA-N 1 0 475.976 4.664 50 0 JJAARO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2Br)C(C)C)cc1 ZINC000012928254 556146180 /nfs/dbraw/zinc/14/61/80/556146180.db2.gz XTLFHEACZSNJBW-JOCHJYFZSA-N 1 0 490.442 4.563 50 0 JJAARO CCCc1ccc([C@@H]([NH2+]Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C(C)C)cc1 ZINC000024746267 556147820 /nfs/dbraw/zinc/14/78/20/556147820.db2.gz LYKIDYPBRORONY-VWLOTQADSA-N 1 0 456.656 4.746 50 0 JJAARO O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000024976975 556167060 /nfs/dbraw/zinc/16/70/60/556167060.db2.gz QXXKLTVJIKLTRY-QHCPKHFHSA-N 1 0 451.954 4.859 50 0 JJAARO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000025154956 556195825 /nfs/dbraw/zinc/19/58/25/556195825.db2.gz ATCBETLRKMBXDP-UHFFFAOYSA-N 1 0 474.531 4.706 50 0 JJAARO O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000013010681 556202971 /nfs/dbraw/zinc/20/29/71/556202971.db2.gz IJRULZYFSHLOTI-FQEVSTJZSA-N 1 0 460.628 4.841 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nccn3-c3cc(C)cc(C)c3)c(C)c2)CC1 ZINC000025187283 556204875 /nfs/dbraw/zinc/20/48/75/556204875.db2.gz ZKWYBRSOSVPLGC-UHFFFAOYSA-N 1 0 463.651 4.670 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000017041112 556207668 /nfs/dbraw/zinc/20/76/68/556207668.db2.gz SYUBXJXJHWHKJD-LJAQVGFWSA-N 1 0 480.612 4.526 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017041151 556208025 /nfs/dbraw/zinc/20/80/25/556208025.db2.gz JHIKWAGKFGAYTF-NDEPHWFRSA-N 1 0 469.585 4.724 50 0 JJAARO 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 556277272 /nfs/dbraw/zinc/27/72/72/556277272.db2.gz KXPQUHHNPNEABT-LIONHTAISA-N 1 0 450.538 4.970 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)n1 ZINC000013076073 556277837 /nfs/dbraw/zinc/27/78/37/556277837.db2.gz ICQZVIZKOBZAHP-FPDOAZFCSA-N 1 0 470.602 4.556 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000013100429 556299948 /nfs/dbraw/zinc/29/99/48/556299948.db2.gz CLUMADVEDBOQBM-HHHXNRCGSA-N 1 0 482.628 4.598 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028290118 556328353 /nfs/dbraw/zinc/32/83/53/556328353.db2.gz OLUKORBEULFVKO-LJQANCHMSA-N 1 0 471.395 4.886 50 0 JJAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000013118088 556330771 /nfs/dbraw/zinc/33/07/71/556330771.db2.gz WHAJVCYLDHGSBY-UHFFFAOYSA-N 1 0 452.602 4.970 50 0 JJAARO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)CN1CC[NH+](C2CCCCC2)CC1 ZINC000019372308 556347475 /nfs/dbraw/zinc/34/74/75/556347475.db2.gz ZHIGFOFKDARGBJ-OAQYLSRUSA-N 1 0 470.455 4.868 50 0 JJAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1 ZINC000013129813 556354067 /nfs/dbraw/zinc/35/40/67/556354067.db2.gz DXRJINNRJBOBIZ-FQEVSTJZSA-N 1 0 453.892 4.641 50 0 JJAARO CCN(Cc1ccccc1)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000019744119 556365535 /nfs/dbraw/zinc/36/55/35/556365535.db2.gz APDYVONJNHRZCC-UHFFFAOYSA-N 1 0 475.608 4.668 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000032622875 556452744 /nfs/dbraw/zinc/45/27/44/556452744.db2.gz YZQQYWGRKQZWJZ-LJQANCHMSA-N 1 0 475.770 4.706 50 0 JJAARO Cc1c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(Br)cc1 ZINC000032762676 556488172 /nfs/dbraw/zinc/48/81/72/556488172.db2.gz GJTFDFGLYQTOCP-LJQANCHMSA-N 1 0 459.413 4.572 50 0 JJAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000032954091 556568966 /nfs/dbraw/zinc/56/89/66/556568966.db2.gz SQKSLQHCFFZEMU-UHFFFAOYSA-N 1 0 450.926 4.854 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000008590254 562942596 /nfs/dbraw/zinc/94/25/96/562942596.db2.gz LHPPYLHMMDGYTL-MRXNPFEDSA-N 1 0 452.580 4.586 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000008595253 562943698 /nfs/dbraw/zinc/94/36/98/562943698.db2.gz PHIUIBVLAOZPSB-UHFFFAOYSA-N 1 0 471.649 4.535 50 0 JJAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 ZINC000032969142 563109944 /nfs/dbraw/zinc/10/99/44/563109944.db2.gz NTFHALOPKOYXIS-HTAPYJJXSA-N 1 0 461.400 4.568 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000057222658 569594787 /nfs/dbraw/zinc/59/47/87/569594787.db2.gz CWIBUASIFKTKCU-UHFFFAOYSA-N 1 0 463.965 4.701 50 0 JJAARO O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057314336 569596982 /nfs/dbraw/zinc/59/69/82/569596982.db2.gz ROVMKYFCUGHLJP-UHFFFAOYSA-N 1 0 479.049 4.718 50 0 JJAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(C)cc2)[C@@]12c1ccccc1NC2=O ZINC000059485892 569605368 /nfs/dbraw/zinc/60/53/68/569605368.db2.gz VSTMDEBFCKYLRC-GLKSXAEWSA-N 1 0 491.591 4.572 50 0 biogenic JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983892 569607116 /nfs/dbraw/zinc/60/71/16/569607116.db2.gz OKKXZIVTTBLNFQ-HEQHKCQXSA-N 1 0 453.970 4.706 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983891 569607187 /nfs/dbraw/zinc/60/71/87/569607187.db2.gz OKKXZIVTTBLNFQ-CXJVOSNZSA-N 1 0 453.970 4.706 50 0 JJAARO CCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(C)cc1 ZINC000062491835 569610927 /nfs/dbraw/zinc/61/09/27/569610927.db2.gz HHGNSOXOICCZEV-UHFFFAOYSA-N 1 0 482.602 4.954 50 0 JJAARO Cc1nc2ccccc2n(Cc2ccc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)cc2)c1=O ZINC000033005947 569614635 /nfs/dbraw/zinc/61/46/35/569614635.db2.gz UEVVGVBPHOCDHO-UHFFFAOYSA-N 1 0 498.602 4.534 50 0 JJAARO Clc1ccc(OCC[NH+]2CCN(c3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)cc1 ZINC000063494560 569615330 /nfs/dbraw/zinc/61/53/30/569615330.db2.gz ZEEKKTLMABQVIL-UHFFFAOYSA-N 1 0 484.991 4.799 50 0 JJAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(Br)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746090 569625253 /nfs/dbraw/zinc/62/52/53/569625253.db2.gz NDFLMCPLYSFSTB-UHFFFAOYSA-N 1 0 477.476 4.963 50 0 JJAARO CC[C@@H]1Cn2c(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816632 569633638 /nfs/dbraw/zinc/63/36/38/569633638.db2.gz VHABDQVNQZAETR-HXUWFJFHSA-N 1 0 485.003 4.547 50 0 JJAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CCCC2)s1 ZINC000033783420 569634882 /nfs/dbraw/zinc/63/48/82/569634882.db2.gz AKIOPVDMTMOUTO-UHFFFAOYSA-N 1 0 485.669 4.839 50 0 JJAARO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](Cc3ccsc3)CC2)nc1 ZINC000034681710 569643506 /nfs/dbraw/zinc/64/35/06/569643506.db2.gz LQQSLHNZHXJXEG-UHFFFAOYSA-N 1 0 456.999 4.526 50 0 JJAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccccc3F)c3ccc(F)cc3)CC2)ccc1O ZINC000034683576 569644488 /nfs/dbraw/zinc/64/44/88/569644488.db2.gz CSGNKQYZDYXWEW-UHFFFAOYSA-N 1 0 452.501 4.990 50 0 JJAARO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccs2)CC1 ZINC000034683831 569644609 /nfs/dbraw/zinc/64/46/09/569644609.db2.gz MPLNOMRPDNFMFH-UHFFFAOYSA-N 1 0 491.034 4.990 50 0 JJAARO O=C(c1cccnc1Cl)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697727 569647692 /nfs/dbraw/zinc/64/76/92/569647692.db2.gz PKYLDHARQLDSSD-SQJMNOBHSA-N 1 0 478.999 4.552 50 0 JJAARO O=C(c1ccc(F)cc1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698305 569647707 /nfs/dbraw/zinc/64/77/07/569647707.db2.gz IRHZXGMRPWLBJW-CUNXSJBXSA-N 1 0 479.546 4.782 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)CC4CCCC4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698453 569647759 /nfs/dbraw/zinc/64/77/59/569647759.db2.gz NGGZOLVYOVXBIJ-UFHPHHKVSA-N 1 0 479.640 4.779 50 0 JJAARO COc1cccc(C(=O)N2C[C@@H](C[NH+]3CCN(c4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000034698412 569647841 /nfs/dbraw/zinc/64/78/41/569647841.db2.gz TXTJBSKVZDHKDV-UFHPHHKVSA-N 1 0 473.592 4.512 50 0 JJAARO O=C(CC1CCCC1)N1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698380 569647862 /nfs/dbraw/zinc/64/78/62/569647862.db2.gz LNWPODKRODJBLZ-YIXXDRMTSA-N 1 0 467.604 4.909 50 0 JJAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5)CC4)cc3)ccc21 ZINC000065026885 569651634 /nfs/dbraw/zinc/65/16/34/569651634.db2.gz UNCFROWELYJALM-UHFFFAOYSA-N 1 0 496.655 4.595 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)CC(C)(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034829520 569663023 /nfs/dbraw/zinc/66/30/23/569663023.db2.gz SANXOAYUFRXWKC-UHFFFAOYSA-N 1 0 453.675 4.743 50 0 JJAARO CC(C)(C)CC(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034830052 569663540 /nfs/dbraw/zinc/66/35/40/569663540.db2.gz MROAUEMLTCCGFS-SANMLTNESA-N 1 0 467.679 4.583 50 0 JJAARO Cc1ccccc1C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034830055 569663663 /nfs/dbraw/zinc/66/36/63/569663663.db2.gz KXURGNWIFLIUAC-MUUNZHRXSA-N 1 0 487.669 4.769 50 0 JJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830398 569663800 /nfs/dbraw/zinc/66/38/00/569663800.db2.gz IACWTMTVMHYQCM-HFZDXXHNSA-N 1 0 481.706 4.890 50 0 JJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000034830530 569663883 /nfs/dbraw/zinc/66/38/83/569663883.db2.gz DKEHJRCHZHMYBD-BCHFMIIMSA-N 1 0 485.669 4.720 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cccs3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831330 569664213 /nfs/dbraw/zinc/66/42/13/569664213.db2.gz LESDKPJIOADNKH-UHFFFAOYSA-N 1 0 483.657 4.822 50 0 JJAARO CCCCNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)[C@H](C)CC ZINC000034832182 569664467 /nfs/dbraw/zinc/66/44/67/569664467.db2.gz JRPUYHGGLNAAOK-HXUWFJFHSA-N 1 0 472.653 4.572 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)CC(C)C ZINC000034832072 569664489 /nfs/dbraw/zinc/66/44/89/569664489.db2.gz VOAKEBHOISKKHD-FQEVSTJZSA-N 1 0 457.638 4.635 50 0 JJAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nc2cc(C(C)(C)C)nn21 ZINC000034833614 569664630 /nfs/dbraw/zinc/66/46/30/569664630.db2.gz MEDGPLPMCCKFRY-LJQANCHMSA-N 1 0 465.642 4.943 50 0 JJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)Cc1cccs1 ZINC000034834457 569664813 /nfs/dbraw/zinc/66/48/13/569664813.db2.gz CSOIEVJVDJAIBP-UHFFFAOYSA-N 1 0 497.684 4.751 50 0 JJAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)C1CCC1 ZINC000034835344 569664893 /nfs/dbraw/zinc/66/48/93/569664893.db2.gz IBYXRHYYWAHBOF-UHFFFAOYSA-N 1 0 483.676 4.889 50 0 JJAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)Cc1ccoc1 ZINC000034836351 569665238 /nfs/dbraw/zinc/66/52/38/569665238.db2.gz SIAXBSLFPCYQFT-UHFFFAOYSA-N 1 0 467.633 4.967 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccc(F)c(F)c1 ZINC000034836470 569665554 /nfs/dbraw/zinc/66/55/54/569665554.db2.gz SLWQDVNIHZRCFU-UHFFFAOYSA-N 1 0 471.571 4.762 50 0 JJAARO COc1cc2c(cc1OC)C(/C=C1/SC(NC(=O)c3ccccc3)=NN1c1ccccc1)=[NH+]CC2 ZINC000034870971 569668301 /nfs/dbraw/zinc/66/83/01/569668301.db2.gz MFCQARBDZAFVJM-KOEQRZSOSA-N 1 0 484.581 4.845 50 0 JJAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000034872254 569668487 /nfs/dbraw/zinc/66/84/87/569668487.db2.gz FGXCTOGPMWLOIZ-CPJSRVTESA-N 1 0 474.022 4.944 50 0 JJAARO COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1OC ZINC000065298580 569670843 /nfs/dbraw/zinc/67/08/43/569670843.db2.gz GLLABBRZVZEAGH-FQEVSTJZSA-N 1 0 458.002 4.787 50 0 biogenic JJAARO COc1cccc(Nc2nc(-c3ccc(Cl)cc3)ncc2C(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000034921890 569672631 /nfs/dbraw/zinc/67/26/31/569672631.db2.gz FUOZCOZSVWZOKV-HXUWFJFHSA-N 1 0 465.985 4.763 50 0 JJAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Cl)cc2)c(C)c1 ZINC000035372629 569683090 /nfs/dbraw/zinc/68/30/90/569683090.db2.gz WXZHLXXJIHORLK-UHFFFAOYSA-N 1 0 455.027 4.952 50 0 JJAARO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000035399196 569689625 /nfs/dbraw/zinc/68/96/25/569689625.db2.gz AUUPFNDJOTUJBN-UHFFFAOYSA-N 1 0 482.713 4.592 50 0 JJAARO Cc1noc(C)c1CCC(=O)N(C[C@H]1CCC[N@@H+]1CC1CCCCC1)C(=O)CCc1c(C)noc1C ZINC000069841325 569693756 /nfs/dbraw/zinc/69/37/56/569693756.db2.gz WLLIUGDDQXABQA-XMMPIXPASA-N 1 0 498.668 4.862 50 0 JJAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000069950986 569694275 /nfs/dbraw/zinc/69/42/75/569694275.db2.gz NRGLZWVZNOCBPH-SFHVURJKSA-N 1 0 464.635 4.740 50 0 JJAARO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454165 569697385 /nfs/dbraw/zinc/69/73/85/569697385.db2.gz RDHGANXPSWXRPB-MOPGFXCFSA-N 1 0 473.061 4.690 50 0 JJAARO O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCC([NH+]2CCCCC2)CC1 ZINC000071775266 569698092 /nfs/dbraw/zinc/69/80/92/569698092.db2.gz XTRJMQURHAZJBA-UHFFFAOYSA-N 1 0 471.573 4.801 50 0 JJAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)cc32)c1 ZINC000035560029 569704008 /nfs/dbraw/zinc/70/40/08/569704008.db2.gz UACXDOYLFWPJSA-UHFFFAOYSA-N 1 0 486.591 4.874 50 0 JJAARO CCOc1ccc(OCc2ccc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)o2)cc1 ZINC000035657143 569705985 /nfs/dbraw/zinc/70/59/85/569705985.db2.gz HIDAOAUTUAXGQN-UHFFFAOYSA-N 1 0 464.606 4.984 50 0 JJAARO COc1cc(C(=O)N(CC[C@@H]2CCC[N@@H+]2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC ZINC000084615762 569709387 /nfs/dbraw/zinc/70/93/87/569709387.db2.gz JVRRRKAXHMGUHZ-SIWPHUPXSA-N 1 0 470.585 4.882 50 0 in-vitro JJAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](C)O ZINC000035842614 569714107 /nfs/dbraw/zinc/71/41/07/569714107.db2.gz DFSJDMWZYTUEFP-QHCPKHFHSA-N 1 0 493.692 4.756 50 0 JJAARO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)C(C)(C)CO ZINC000035842652 569714135 /nfs/dbraw/zinc/71/41/35/569714135.db2.gz LALJTYKRLSMLMF-UHFFFAOYSA-N 1 0 486.056 4.502 50 0 JJAARO CCOC(=O)CCC[N@H+](CCC(C)C)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844980 569715612 /nfs/dbraw/zinc/71/56/12/569715612.db2.gz OYTWHGFWAXMMQF-UHFFFAOYSA-N 1 0 456.627 4.851 50 0 JJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000085875103 569715717 /nfs/dbraw/zinc/71/57/17/569715717.db2.gz TYHDBHAXQKOIHF-QFBILLFUSA-N 1 0 461.393 4.635 50 0 biogenic JJAARO COc1ccc(N2C[C@](O)(c3ccc(Br)cc3)[N+]3=C2CCc2ccccc23)cc1 ZINC000089444216 569718387 /nfs/dbraw/zinc/71/83/87/569718387.db2.gz VPZMDKVEHYMZGJ-DEOSSOPVSA-N 1 0 450.356 4.812 50 0 JJAARO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@H]12 ZINC000035871543 569718727 /nfs/dbraw/zinc/71/87/27/569718727.db2.gz ILWGUXWWMDHOTC-JTHBVZDNSA-N 1 0 461.528 4.610 50 0 JJAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871507 569718748 /nfs/dbraw/zinc/71/87/48/569718748.db2.gz KXICAUUNWVOIRH-UKILVPOCSA-N 1 0 471.567 4.670 50 0 JJAARO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908048 569723642 /nfs/dbraw/zinc/72/36/42/569723642.db2.gz VJSJAAOSEDNDGH-ISKFKSNPSA-N 1 0 477.546 4.870 50 0 JJAARO CC(C)[NH+]1CCN(c2nc3nn(-c4ccc(Cl)c(Cl)c4)c(N)c3c(-c3ccccc3)n2)CC1 ZINC000035929556 569731381 /nfs/dbraw/zinc/73/13/81/569731381.db2.gz DZUHLNSVSVBOLJ-UHFFFAOYSA-N 1 0 482.419 4.902 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000096523419 569740745 /nfs/dbraw/zinc/74/07/45/569740745.db2.gz NEWLMRYINLSDJO-UHFFFAOYSA-N 1 0 467.617 4.935 50 0 JJAARO CCCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000100072753 569752461 /nfs/dbraw/zinc/75/24/61/569752461.db2.gz FYVSPGFEVWKOFT-MUUNZHRXSA-N 1 0 497.639 4.905 50 0 JJAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100115858 569753160 /nfs/dbraw/zinc/75/31/60/569753160.db2.gz DWFVYKKSQBKBJI-DEOSSOPVSA-N 1 0 493.529 4.745 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccccc1C ZINC000036313023 569760641 /nfs/dbraw/zinc/76/06/41/569760641.db2.gz MHZAPNXHUNMKSH-VWLOTQADSA-N 1 0 493.648 4.919 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccccc1C ZINC000036313022 569760678 /nfs/dbraw/zinc/76/06/78/569760678.db2.gz MHZAPNXHUNMKSH-RUZDIDTESA-N 1 0 493.648 4.919 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCC ZINC000036316481 569763053 /nfs/dbraw/zinc/76/30/53/569763053.db2.gz APRGMQIRNCHSDP-OAQYLSRUSA-N 1 0 455.574 4.976 50 0 JJAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@H](O)COCC(C)C)CC1 ZINC000036340146 569763539 /nfs/dbraw/zinc/76/35/39/569763539.db2.gz XUPDWULBKAYJCS-MHZLTWQESA-N 1 0 488.676 4.507 50 0 JJAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@@H](O)COCC(C)C)CC1 ZINC000036340147 569763552 /nfs/dbraw/zinc/76/35/52/569763552.db2.gz XUPDWULBKAYJCS-HHHXNRCGSA-N 1 0 488.676 4.507 50 0 JJAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341033 569764101 /nfs/dbraw/zinc/76/41/01/569764101.db2.gz MFHLALRIYKINJN-HSZRJFAPSA-N 1 0 455.986 4.767 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342037 569765232 /nfs/dbraw/zinc/76/52/32/569765232.db2.gz JEPNHJWGMWYHGQ-QHCPKHFHSA-N 1 0 455.574 4.968 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346441 569769960 /nfs/dbraw/zinc/76/99/60/569769960.db2.gz ZIYHCLAJQJCYMV-HSZRJFAPSA-N 1 0 453.558 4.722 50 0 JJAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036346560 569770126 /nfs/dbraw/zinc/77/01/26/569770126.db2.gz HZFRMNIPCQEKSQ-UWJYYQICSA-N 1 0 459.537 4.859 50 0 JJAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc4ncsc4c3)nc21 ZINC000036643785 569779600 /nfs/dbraw/zinc/77/96/00/569779600.db2.gz SFZGFBFJNJMNFB-UHFFFAOYSA-N 1 0 456.593 4.522 50 0 JJAARO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000037210656 569781775 /nfs/dbraw/zinc/78/17/75/569781775.db2.gz PEFBEEUTZQVFCX-AVRDEDQJSA-N 1 0 465.619 4.857 50 0 JJAARO CC(C)(C)CC(=O)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037277352 569782309 /nfs/dbraw/zinc/78/23/09/569782309.db2.gz MXBCGZGORPJMKP-UHFFFAOYSA-N 1 0 482.713 4.688 50 0 JJAARO COc1ccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037359023 569783766 /nfs/dbraw/zinc/78/37/66/569783766.db2.gz KRCBTKPBKLZLLV-UHFFFAOYSA-N 1 0 478.000 4.625 50 0 JJAARO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCC([NH+]3CCCCC3)CC1)nc2-c1cccc(F)c1 ZINC000037360561 569784012 /nfs/dbraw/zinc/78/40/12/569784012.db2.gz XFHQLLFPWBGVJU-UHFFFAOYSA-N 1 0 489.574 4.798 50 0 JJAARO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037360552 569784048 /nfs/dbraw/zinc/78/40/48/569784048.db2.gz UHLAVOXUWFYMLM-UHFFFAOYSA-N 1 0 497.553 4.665 50 0 JJAARO COc1ccc(N(C2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000037559892 569795599 /nfs/dbraw/zinc/79/55/99/569795599.db2.gz WRBXECJOKNNXSV-UHFFFAOYSA-N 1 0 484.593 4.703 50 0 JJAARO CCc1cc([C@@H](c2ccccc2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546529 569803269 /nfs/dbraw/zinc/80/32/69/569803269.db2.gz NVZCFBHEFKLEEC-HSZRJFAPSA-N 1 0 453.608 4.891 50 0 JJAARO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546590 569803433 /nfs/dbraw/zinc/80/34/33/569803433.db2.gz KNVDFAGINXKRSN-HSZRJFAPSA-N 1 0 450.608 4.594 50 0 JJAARO COc1cc(NC(=O)CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)cc1Cl ZINC000038729211 569806274 /nfs/dbraw/zinc/80/62/74/569806274.db2.gz LVXOLFUSYHHPAH-UHFFFAOYSA-N 1 0 485.934 4.522 50 0 JJAARO Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)[C@H]2c2cccs2)cc1 ZINC000039563898 569810807 /nfs/dbraw/zinc/81/08/07/569810807.db2.gz XEPAUBYDQBQTST-RDGATRHJSA-N 1 0 453.652 4.730 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995538 569813436 /nfs/dbraw/zinc/81/34/36/569813436.db2.gz JNMMCKMRMILIFO-IFMALSPDSA-N 1 0 454.640 4.581 50 0 JJAARO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000105780063 569853379 /nfs/dbraw/zinc/85/33/79/569853379.db2.gz VMRBFEVPGQPSCR-APWZRJJASA-N 1 0 461.400 4.764 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984355 569848475 /nfs/dbraw/zinc/84/84/75/569848475.db2.gz GPYJUVQIMRCONY-CLJLJLNGSA-N 1 0 464.993 4.913 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984377 569848492 /nfs/dbraw/zinc/84/84/92/569848492.db2.gz BIGGIJGOPQQQFP-FCHUYYIVSA-N 1 0 479.404 4.693 50 0 JJAARO O=C(C[N@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000105003967 569849499 /nfs/dbraw/zinc/84/94/99/569849499.db2.gz JWRVLCRQHWDRQV-FTJBHMTQSA-N 1 0 494.632 4.838 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677307 569868623 /nfs/dbraw/zinc/86/86/23/569868623.db2.gz GPYJUVQIMRCONY-FTJBHMTQSA-N 1 0 464.993 4.913 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000169677634 569868800 /nfs/dbraw/zinc/86/88/00/569868800.db2.gz QJGVQPAASSNLOY-RPLLCQBOSA-N 1 0 494.010 4.667 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000169677632 569868836 /nfs/dbraw/zinc/86/88/36/569868836.db2.gz BJBXHKUAPONEOC-AZGAKELHSA-N 1 0 496.076 4.632 50 0 JJAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677744 569868966 /nfs/dbraw/zinc/86/89/66/569868966.db2.gz JJZBCNJDHMORGL-GGAORHGYSA-N 1 0 477.596 4.731 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000169678856 569869314 /nfs/dbraw/zinc/86/93/14/569869314.db2.gz XBXRJYAQGONOTI-JYFHCDHNSA-N 1 0 496.648 4.708 50 0 JJAARO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C[C@@H](O)Cc1ccccc1 ZINC000169679027 569869365 /nfs/dbraw/zinc/86/93/65/569869365.db2.gz LYGLZGJXFZAWCO-QUCCMNQESA-N 1 0 453.652 4.561 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680119 569870228 /nfs/dbraw/zinc/87/02/28/569870228.db2.gz JFDGWYCSRWECLC-NZQKXSOJSA-N 1 0 467.610 4.980 50 0 JJAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CO4)cc1 ZINC000229704815 570040912 /nfs/dbraw/zinc/04/09/12/570040912.db2.gz DUNRUTJASQTNJK-BWKNWUBXSA-N 1 0 460.574 4.885 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)n1 ZINC000229864247 570041563 /nfs/dbraw/zinc/04/15/63/570041563.db2.gz YBEVJXKTFPXSJC-ATOKPLOQSA-N 1 0 482.660 4.679 50 0 JJAARO CCCC[N@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230075924 570044299 /nfs/dbraw/zinc/04/42/99/570044299.db2.gz XBGKNLSIKIWAAN-ZEQRLZLVSA-N 1 0 465.619 4.670 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245234904 570056994 /nfs/dbraw/zinc/05/69/94/570056994.db2.gz GANQGTIVFYPHNC-NFQMXDRXSA-N 1 0 468.642 4.552 50 0 JJAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000245281247 570062124 /nfs/dbraw/zinc/06/21/24/570062124.db2.gz WSLXXLUDWZREKZ-RPLLCQBOSA-N 1 0 459.634 4.934 50 0 JJAARO CCC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327487 570065322 /nfs/dbraw/zinc/06/53/22/570065322.db2.gz JQUYVJWCCSVASF-XUZZJYLKSA-N 1 0 476.658 4.901 50 0 JJAARO CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245328866 570066070 /nfs/dbraw/zinc/06/60/70/570066070.db2.gz QHUDANASTXZVHR-ILBGXUMGSA-N 1 0 497.611 4.745 50 0 JJAARO O=C(C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000247734658 570068931 /nfs/dbraw/zinc/06/89/31/570068931.db2.gz JWRVLCRQHWDRQV-CLJLJLNGSA-N 1 0 494.632 4.838 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000247903055 570070974 /nfs/dbraw/zinc/07/09/74/570070974.db2.gz JAAKVDVILGRSSK-VWLOTQADSA-N 1 0 482.628 4.930 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247922765 570071202 /nfs/dbraw/zinc/07/12/02/570071202.db2.gz YGFQKQVSLJASEJ-VWLOTQADSA-N 1 0 482.628 4.664 50 0 JJAARO CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247958889 570071720 /nfs/dbraw/zinc/07/17/20/570071720.db2.gz DRPNFWDWERFZKA-GOSISDBHSA-N 1 0 469.427 4.868 50 0 JJAARO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1C ZINC000248001995 570072433 /nfs/dbraw/zinc/07/24/33/570072433.db2.gz OETHCXYFEIHOOE-DEOSSOPVSA-N 1 0 473.665 4.795 50 0 JJAARO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248033196 570073115 /nfs/dbraw/zinc/07/31/15/570073115.db2.gz YFIQNTVWYPJEKX-DEOSSOPVSA-N 1 0 473.665 4.795 50 0 JJAARO CCN(CC)C(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248232334 570076392 /nfs/dbraw/zinc/07/63/92/570076392.db2.gz CCPIMFXUFHSOEY-UHFFFAOYSA-N 1 0 469.427 4.868 50 0 JJAARO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248268453 570077288 /nfs/dbraw/zinc/07/72/88/570077288.db2.gz YQYIWBRRLBETBL-SFHVURJKSA-N 1 0 469.427 4.916 50 0 JJAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](Cc3ccccc3)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000248335813 570077923 /nfs/dbraw/zinc/07/79/23/570077923.db2.gz NRKJPEUBGHBDRE-SWGGMNADSA-N 1 0 475.976 4.664 50 0 JJAARO Cc1oc2cc3oc(=O)c(CC(=O)N(C)C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(C)c3cc2c1C ZINC000253407390 570097233 /nfs/dbraw/zinc/09/72/33/570097233.db2.gz JVMVWVXRFNTOQS-WMZHIEFXSA-N 1 0 450.579 4.730 50 0 JJAARO 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 570107376 /nfs/dbraw/zinc/10/73/76/570107376.db2.gz GOWOSOWXNODCBF-VDCVCMFOSA-N 1 0 483.008 4.555 50 0 JJAARO O=C(Nc1cccc(N2CCC([NH2+]C[C@H](c3ccc(F)cc3)N3CCCC3)CC2)c1)c1cccnc1 ZINC000299762865 570174897 /nfs/dbraw/zinc/17/48/97/570174897.db2.gz CKYUZGQIFZEWLR-MUUNZHRXSA-N 1 0 487.623 4.869 50 0 JJAARO Cc1cc(=O)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2n1-c1ccccc1S[C@H](c1ccc(F)c(F)c1)C2 ZINC000299782111 570176537 /nfs/dbraw/zinc/17/65/37/570176537.db2.gz XXMSNVHGOYAGTN-CJAUYULYSA-N 1 0 495.595 4.590 50 0 JJAARO Cc1cc(=O)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c2n1-c1ccccc1S[C@@H](c1ccc(F)c(F)c1)C2 ZINC000299782143 570176548 /nfs/dbraw/zinc/17/65/48/570176548.db2.gz XXMSNVHGOYAGTN-IQGLISFBSA-N 1 0 495.595 4.590 50 0 JJAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+][C@H](c4ccncc4)c4ccccc4C)CC3)cc2)CC1 ZINC000299784051 570176701 /nfs/dbraw/zinc/17/67/01/570176701.db2.gz WHTOLAPCADRDIE-SSEXGKCCSA-N 1 0 497.687 4.516 50 0 JJAARO Cc1ccc2[nH]c([C@H](C)[NH2+]C3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)nc2c1 ZINC000299802307 570177539 /nfs/dbraw/zinc/17/75/39/570177539.db2.gz YRFXKSAVVKKHLO-IBGZPJMESA-N 1 0 454.578 4.838 50 0 JJAARO CCCS(=O)(=O)c1oc(-c2ccc(C)cc2C)c(-[n+]2cccc(C)c2)c1S(=O)(=O)CCC ZINC000001430548 194119713 /nfs/dbraw/zinc/11/97/13/194119713.db2.gz ZGAJCGYYCLNTQB-UHFFFAOYSA-N 1 0 476.640 4.516 50 0 JJAARO Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NCCC[NH+](C)C)cc1 ZINC000001812689 194145197 /nfs/dbraw/zinc/14/51/97/194145197.db2.gz MXXPOBMGINPDNZ-HAVVHWLPSA-N 1 0 465.981 4.747 50 0 JJAARO Cc1nnc(Sc2cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)s1 ZINC000003027433 194211637 /nfs/dbraw/zinc/21/16/37/194211637.db2.gz CVDACWAPOJYXLM-HZPDHXFCSA-N 1 0 455.653 4.644 50 0 JJAARO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCCC1 ZINC000003053214 194219880 /nfs/dbraw/zinc/21/98/80/194219880.db2.gz QOELAVKQVQSDMH-JWGURIENSA-N 1 0 489.563 4.787 50 0 JJAARO COc1ccc(Nc2cc(C(=O)NCC[N@H+](C)CCc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000003056872 194221264 /nfs/dbraw/zinc/22/12/64/194221264.db2.gz WTDFQNHKFALAHW-UHFFFAOYSA-N 1 0 484.600 4.900 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000003635843 194345363 /nfs/dbraw/zinc/34/53/63/194345363.db2.gz NFYWDHWHSCOMRN-RUZDIDTESA-N 1 0 486.612 4.996 50 0 JJAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3c(F)cc(F)cc3Br)c3ccccc32)CC1 ZINC000004077826 194375223 /nfs/dbraw/zinc/37/52/23/194375223.db2.gz UQLXYFJZNJEABU-UHFFFAOYSA-N 1 0 475.337 4.670 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757264 194394837 /nfs/dbraw/zinc/39/48/37/194394837.db2.gz YVYMPKBXSAUQME-AOYPEHQESA-N 1 0 469.601 4.557 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000009151289 194567506 /nfs/dbraw/zinc/56/75/06/194567506.db2.gz GSIHCQXUDJDKCH-UHFFFAOYSA-N 1 0 491.636 4.983 50 0 JJAARO CC(C)C[NH+](CCCNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)CC(C)C ZINC000009882080 195009630 /nfs/dbraw/zinc/00/96/30/195009630.db2.gz URKMPWXTJIFCHG-UHFFFAOYSA-N 1 0 453.656 4.984 50 0 JJAARO COc1cccc([C@H](C[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000009951200 195033765 /nfs/dbraw/zinc/03/37/65/195033765.db2.gz QYTIKQHKVYCSDU-CYFREDJKSA-N 1 0 469.585 4.884 50 0 JJAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c2)cc1F ZINC000012760960 195110621 /nfs/dbraw/zinc/11/06/21/195110621.db2.gz APRHQCQAAPRTIJ-VWLOTQADSA-N 1 0 481.593 4.502 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012788218 195129648 /nfs/dbraw/zinc/12/96/48/195129648.db2.gz KVNLPLLRASZGIH-YADHBBJMSA-N 1 0 462.421 4.701 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+]1CCCC1 ZINC000012801424 195139219 /nfs/dbraw/zinc/13/92/19/195139219.db2.gz FSCMVUFEMZIDSB-GMAHTHKFSA-N 1 0 492.447 4.710 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012846641 195152624 /nfs/dbraw/zinc/15/26/24/195152624.db2.gz WDXCXHJGTHVUJU-DEOSSOPVSA-N 1 0 466.585 4.611 50 0 JJAARO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC23CCCCC3)cc1 ZINC000020687985 195205474 /nfs/dbraw/zinc/20/54/74/195205474.db2.gz HTTKUAUQGQVBGE-VDKIKQQVSA-N 1 0 484.754 4.631 50 0 JJAARO CCC[NH+]1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)CC1 ZINC000020728221 195208489 /nfs/dbraw/zinc/20/84/89/195208489.db2.gz ZOTYWVVKKMYPIT-JWGURIENSA-N 1 0 489.563 4.739 50 0 JJAARO O=c1c2c(ncn1CCCc1ccncc1)sc1c2CC[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000020774334 195223752 /nfs/dbraw/zinc/22/37/52/195223752.db2.gz FSRXQKVUEOBESW-KRWDZBQOSA-N 1 0 484.547 4.550 50 0 JJAARO O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020900718 195241513 /nfs/dbraw/zinc/24/15/13/195241513.db2.gz GXBYQFXTPHCLQA-UHFFFAOYSA-N 1 0 477.678 4.763 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902844 195241947 /nfs/dbraw/zinc/24/19/47/195241947.db2.gz UVCLAYHRSLJRSQ-GIGWZHCTSA-N 1 0 478.681 4.959 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000020902854 195242251 /nfs/dbraw/zinc/24/22/51/195242251.db2.gz ZKCJKRTWSPWVTD-LJAQVGFWSA-N 1 0 478.681 4.959 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902858 195242328 /nfs/dbraw/zinc/24/23/28/195242328.db2.gz WOCXAGNYWXPBCP-KERYWQKISA-N 1 0 478.681 4.958 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CCC[NH+]1CCCCC1)C3=O ZINC000020903213 195242827 /nfs/dbraw/zinc/24/28/27/195242827.db2.gz XJZRVAPPCXTCLO-LJAQVGFWSA-N 1 0 494.680 4.579 50 0 JJAARO O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000020940953 195255261 /nfs/dbraw/zinc/25/52/61/195255261.db2.gz ZBYWQXZPJJXKIA-UHFFFAOYSA-N 1 0 450.411 4.889 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c1 ZINC000020941455 195255635 /nfs/dbraw/zinc/25/56/35/195255635.db2.gz SXOBPFMCLLEVLL-UHFFFAOYSA-N 1 0 460.622 5.000 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCN(c2nc3cccnc3s2)CC1 ZINC000020996268 195264495 /nfs/dbraw/zinc/26/44/95/195264495.db2.gz TXYYWPKBVAVBPS-UHFFFAOYSA-N 1 0 484.069 4.590 50 0 JJAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc(F)c(F)c1 ZINC000020998760 195265426 /nfs/dbraw/zinc/26/54/26/195265426.db2.gz ASKXAZRFZMKJQQ-YADARESESA-N 1 0 477.983 4.560 50 0 JJAARO CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1 ZINC000021018084 195267054 /nfs/dbraw/zinc/26/70/54/195267054.db2.gz BQRLIPLGLUWJHH-UHFFFAOYSA-N 1 0 451.958 4.512 50 0 JJAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1 ZINC000021102723 195276562 /nfs/dbraw/zinc/27/65/62/195276562.db2.gz RYIRLSOCRLWCRO-UHFFFAOYSA-N 1 0 490.696 4.653 50 0 JJAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000021138585 195281141 /nfs/dbraw/zinc/28/11/41/195281141.db2.gz QOHCIISULPDPMO-UHFFFAOYSA-N 1 0 492.567 4.878 50 0 JJAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000021160357 195287208 /nfs/dbraw/zinc/28/72/08/195287208.db2.gz SZNZWSLOCOHPAQ-XMMPIXPASA-N 1 0 487.692 4.990 50 0 JJAARO CC[NH+](CC)CCCn1c(C)c(C)c2c3nc(-c4ccccc4Br)nn3cnc21 ZINC000021801535 195323121 /nfs/dbraw/zinc/32/31/21/195323121.db2.gz RRCZXADDRJOFED-UHFFFAOYSA-N 1 0 455.404 4.857 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CC[N@H+](C)C2CCCCC2)CC1 ZINC000021808733 195324190 /nfs/dbraw/zinc/32/41/90/195324190.db2.gz UYOHYYXUXABTDA-HRYTWTRCSA-N 1 0 484.710 4.877 50 0 JJAARO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(-n2cncn2)nc1)[NH+](C)C ZINC000058005009 195361851 /nfs/dbraw/zinc/36/18/51/195361851.db2.gz CWEDHVBWRPNDMB-HXUWFJFHSA-N 1 0 476.412 4.589 50 0 JJAARO Cc1cc(C)n(-c2nc3cc(C)ccc3nc2NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000058022673 195362804 /nfs/dbraw/zinc/36/28/04/195362804.db2.gz KTRPUJWKHMDUMK-UHFFFAOYSA-N 1 0 476.028 4.628 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccco1 ZINC000058022960 195363001 /nfs/dbraw/zinc/36/30/01/195363001.db2.gz IYLQZWBYKXAPLK-SDNYCIMKSA-N 1 0 467.566 4.685 50 0 JJAARO COc1ccc(-c2csc3ncnc(NCCC[NH+]4CCN(c5ccccc5OC)CC4)c23)cc1 ZINC000021643252 195319026 /nfs/dbraw/zinc/31/90/26/195319026.db2.gz HPBUKFKGFCSXHY-UHFFFAOYSA-N 1 0 489.645 5.000 50 0 JJAARO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000058962912 195386598 /nfs/dbraw/zinc/38/65/98/195386598.db2.gz JWBGYHXTVTWVIB-UHFFFAOYSA-N 1 0 453.377 4.504 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C1 ZINC000059057625 195387054 /nfs/dbraw/zinc/38/70/54/195387054.db2.gz MDATUSGUSNMDKP-FGZHOGPDSA-N 1 0 479.690 4.809 50 0 JJAARO CC(=O)Nc1cc(C[NH2+]Cc2ccc(N(C)c3ccccc3)cc2)cc(C(=O)N2CCCC2)c1 ZINC000014993402 519703802 /nfs/dbraw/zinc/70/38/02/519703802.db2.gz QHIDPOJMHVWENG-UHFFFAOYSA-N 1 0 456.590 4.939 50 0 JJAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)s1 ZINC000014986777 519715596 /nfs/dbraw/zinc/71/55/96/519715596.db2.gz OUUZOMQBDRCHHV-QHCPKHFHSA-N 1 0 465.663 4.937 50 0 JJAARO CC(C)c1ccc(-c2noc(N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)n2)cc1 ZINC000021714302 519833990 /nfs/dbraw/zinc/83/39/90/519833990.db2.gz FAJQMEGWVYKUNY-UHFFFAOYSA-N 1 0 465.642 4.553 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(Br)cc4)c(C)c32)CC1 ZINC000033048469 519861242 /nfs/dbraw/zinc/86/12/42/519861242.db2.gz BVAHXBKOSDXJKO-UHFFFAOYSA-N 1 0 474.428 4.547 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307812 519881478 /nfs/dbraw/zinc/88/14/78/519881478.db2.gz JNTLSKWNYWFSLN-HSZRJFAPSA-N 1 0 495.595 4.935 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305313 520091477 /nfs/dbraw/zinc/09/14/77/520091477.db2.gz AFVKQNIELBXATK-QFIPXVFZSA-N 1 0 467.610 4.743 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306690 520093585 /nfs/dbraw/zinc/09/35/85/520093585.db2.gz ZKEAWRPXUYHGPJ-NRFANRHFSA-N 1 0 455.574 4.874 50 0 JJAARO CCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000016752552 520433688 /nfs/dbraw/zinc/43/36/88/520433688.db2.gz NTGJDFUSHIQWPB-DEOSSOPVSA-N 1 0 482.552 4.617 50 0 JJAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000012412373 520473093 /nfs/dbraw/zinc/47/30/93/520473093.db2.gz NPUJAUBPYSKYMQ-UHFFFAOYSA-N 1 0 480.939 4.780 50 0 JJAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(Cc2cccc4cccnc42)CCO3)C1 ZINC000014991562 520539676 /nfs/dbraw/zinc/53/96/76/520539676.db2.gz PWAASNKCAHDZNL-SANMLTNESA-N 1 0 486.660 4.710 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065006936 520615575 /nfs/dbraw/zinc/61/55/75/520615575.db2.gz HYDKOJNZKKWIIE-SFHVURJKSA-N 1 0 488.673 4.594 50 0 JJAARO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006203 520668931 /nfs/dbraw/zinc/66/89/31/520668931.db2.gz ZRBJTEJZESOVID-UHFFFAOYSA-N 1 0 476.621 4.504 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035356 520685340 /nfs/dbraw/zinc/68/53/40/520685340.db2.gz XKHZNONGWMBLDE-OAQYLSRUSA-N 1 0 457.018 4.823 50 0 JJAARO CCOc1ccc(-c2nc(CSc3nc4c(c(=O)[nH]3)C[N@@H+](C(C)C)CC4)c(C)o2)cc1OC ZINC000033287199 520816864 /nfs/dbraw/zinc/81/68/64/520816864.db2.gz DMNZHHVYDDOJQI-UHFFFAOYSA-N 1 0 470.595 4.612 50 0 JJAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4C(F)(F)F)n3)c2C2CC2)C1 ZINC000014988873 520872443 /nfs/dbraw/zinc/87/24/43/520872443.db2.gz CUTJKNHNKOBWTO-SFHVURJKSA-N 1 0 498.553 4.782 50 0 JJAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000012413711 521371677 /nfs/dbraw/zinc/37/16/77/521371677.db2.gz YXHXTYDOJBOMSX-OAQYLSRUSA-N 1 0 464.587 4.966 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCC(C)CC3)cc21 ZINC000006144611 521393346 /nfs/dbraw/zinc/39/33/46/521393346.db2.gz RGZMWRAGGBERSC-HSZRJFAPSA-N 1 0 464.606 4.896 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc21 ZINC000006144608 521394124 /nfs/dbraw/zinc/39/41/24/521394124.db2.gz WFYNEFXAACEXDS-DEOSSOPVSA-N 1 0 472.585 4.954 50 0 JJAARO CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000022655252 521447588 /nfs/dbraw/zinc/44/75/88/521447588.db2.gz PLOUZUIYBVZJEL-PMACEKPBSA-N 1 0 456.631 4.803 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)CC ZINC000036309238 521534669 /nfs/dbraw/zinc/53/46/69/521534669.db2.gz FHYRAIYUBUFYMA-URXFXBBRSA-N 1 0 458.668 4.859 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000036309615 521537256 /nfs/dbraw/zinc/53/72/56/521537256.db2.gz XBXRJYAQGONOTI-BVAGGSTKSA-N 1 0 496.648 4.708 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000065008767 521641584 /nfs/dbraw/zinc/64/15/84/521641584.db2.gz GXPKVPPDKBQFJI-GOSISDBHSA-N 1 0 479.071 4.540 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036306231 521678302 /nfs/dbraw/zinc/67/83/02/521678302.db2.gz MQHSDKJMMCLRBC-QFIPXVFZSA-N 1 0 467.610 4.886 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036304529 521679364 /nfs/dbraw/zinc/67/93/64/521679364.db2.gz MGJGAOOBAJMSRY-HSZRJFAPSA-N 1 0 467.610 4.980 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036249857 521679621 /nfs/dbraw/zinc/67/96/21/521679621.db2.gz KEVKTXGSNIFCST-HSZRJFAPSA-N 1 0 479.621 4.992 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036303383 521680547 /nfs/dbraw/zinc/68/05/47/521680547.db2.gz XDTWSEDQOIKYNM-IBGZPJMESA-N 1 0 453.583 4.837 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831324 521696798 /nfs/dbraw/zinc/69/67/98/521696798.db2.gz JWKDFQPZELKLNQ-UHFFFAOYSA-N 1 0 491.655 4.689 50 0 JJAARO COc1cc(CN(Cc2ccncc2)C(=O)[C@@H]2CCCC[N@@H+]2C)ccc1OC1Cc2ccccc2C1 ZINC000012248052 522361415 /nfs/dbraw/zinc/36/14/15/522361415.db2.gz WBRFOKOTDJENMR-MHZLTWQESA-N 1 0 485.628 4.650 50 0 JJAARO C[N@H+](CCCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)C1CCCCC1 ZINC000065002517 522769180 /nfs/dbraw/zinc/76/91/80/522769180.db2.gz LHVDWCTZZOOBNV-UHFFFAOYSA-N 1 0 485.676 4.946 50 0 JJAARO CC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036308897 522807138 /nfs/dbraw/zinc/80/71/38/522807138.db2.gz ISENYQZDMULMJQ-UGKGYDQZSA-N 1 0 465.059 4.635 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461449 523018918 /nfs/dbraw/zinc/01/89/18/523018918.db2.gz UZYXYRPASISCEP-QFIPXVFZSA-N 1 0 467.683 4.615 50 0 JJAARO COc1ccc(-c2ccccc2)cc1NC(=O)COc1ccc(-c2cnccn2)cc1C[NH+](C)C ZINC000012454816 523138176 /nfs/dbraw/zinc/13/81/76/523138176.db2.gz MCTGPQJUXHYVPQ-UHFFFAOYSA-N 1 0 468.557 4.898 50 0 JJAARO CN(Cc1ccc2nccnc2c1)C(=O)CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014990236 523284071 /nfs/dbraw/zinc/28/40/71/523284071.db2.gz CXNODHDRGKRMTF-HHHXNRCGSA-N 1 0 452.558 4.614 50 0 JJAARO COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000034697657 523670522 /nfs/dbraw/zinc/67/05/22/523670522.db2.gz XWPJUDQLQBSVMU-YWEHKCAJSA-N 1 0 473.592 4.512 50 0 JJAARO COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000014750299 523799521 /nfs/dbraw/zinc/79/95/21/523799521.db2.gz FGLNJQSWJCTTJS-UHFFFAOYSA-N 1 0 496.696 4.676 50 0 JJAARO CCc1ccc(CNC(=O)Cn2cc(-c3nnc(C[NH+]4CCCCC4)o3)c3ccccc32)cc1 ZINC000033278790 523934132 /nfs/dbraw/zinc/93/41/32/523934132.db2.gz DIHMLSPHFUQILP-UHFFFAOYSA-N 1 0 457.578 4.556 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccccc1OC ZINC000034835097 523940975 /nfs/dbraw/zinc/94/09/75/523940975.db2.gz YBROWFOWDUJDLK-QFIPXVFZSA-N 1 0 489.664 4.772 50 0 JJAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000014996336 523952014 /nfs/dbraw/zinc/95/20/14/523952014.db2.gz AXOWNVYLGZSKDR-SANMLTNESA-N 1 0 497.035 4.900 50 0 JJAARO COc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)cc1 ZINC000012247665 523973908 /nfs/dbraw/zinc/97/39/08/523973908.db2.gz XALZZBVSBDDOQS-JOCHJYFZSA-N 1 0 457.618 4.987 50 0 JJAARO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCCC4)c3)C2)cc1 ZINC000033035622 523979216 /nfs/dbraw/zinc/97/92/16/523979216.db2.gz RAMXBVSZEOZMDN-RUZDIDTESA-N 1 0 462.638 4.876 50 0 JJAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096032 524015088 /nfs/dbraw/zinc/01/50/88/524015088.db2.gz YVBNSINDDSRMFD-QFIPXVFZSA-N 1 0 459.945 4.938 50 0 JJAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000014970415 524022768 /nfs/dbraw/zinc/02/27/68/524022768.db2.gz LKBVLBPTJSZCHZ-IZLXSDGUSA-N 1 0 488.653 4.645 50 0 JJAARO COc1ccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2C[NH+](C)C)cc1OC ZINC000014956529 524052543 /nfs/dbraw/zinc/05/25/43/524052543.db2.gz AMTKDNZWLPBIRG-UHFFFAOYSA-N 1 0 491.613 4.737 50 0 JJAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NC2CCCC2)C1 ZINC000012279369 524093194 /nfs/dbraw/zinc/09/31/94/524093194.db2.gz FZDXBKOBMXIKQM-IBGZPJMESA-N 1 0 450.579 4.752 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115984 524107156 /nfs/dbraw/zinc/10/71/56/524107156.db2.gz UFUFTQYDBKMXNG-OAQYLSRUSA-N 1 0 488.632 4.728 50 0 JJAARO C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@H+](C)Cc1ccccc1 ZINC000021811410 524170332 /nfs/dbraw/zinc/17/03/32/524170332.db2.gz WCLOMZOYASIYID-OHIRSEEMSA-N 1 0 490.648 4.666 50 0 JJAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020384895 524266169 /nfs/dbraw/zinc/26/61/69/524266169.db2.gz ZWKOWSDZHLSEGL-KDURUIRLSA-N 1 0 495.693 4.598 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000021880362 524348317 /nfs/dbraw/zinc/34/83/17/524348317.db2.gz GKYBJMYHANPYCX-SFHVURJKSA-N 1 0 481.666 4.694 50 0 JJAARO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](CC(C)C)C2)c1 ZINC000014744657 524383825 /nfs/dbraw/zinc/38/38/25/524383825.db2.gz DSDQPALBZJSPAX-IZZNHLLZSA-N 1 0 461.650 4.641 50 0 JJAARO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([NH2+][C@@H](C)Cc3ccsc3)CC2)cc1 ZINC000014985175 524413783 /nfs/dbraw/zinc/41/37/83/524413783.db2.gz ZZZVLFQEJYHFJA-QFIPXVFZSA-N 1 0 491.701 4.848 50 0 JJAARO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)cc1 ZINC000014985178 524414292 /nfs/dbraw/zinc/41/42/92/524414292.db2.gz ZZZVLFQEJYHFJA-JOCHJYFZSA-N 1 0 491.701 4.848 50 0 JJAARO COc1ccccc1C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1ccsc1)[C@@H]2OC ZINC000012282677 524450265 /nfs/dbraw/zinc/45/02/65/524450265.db2.gz GDMMRYYSHCKEQG-RPBOFIJWSA-N 1 0 462.615 4.790 50 0 JJAARO C[C@H](CNS(=O)(=O)c1cccc2cccnc21)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012281420 524492595 /nfs/dbraw/zinc/49/25/95/524492595.db2.gz KWPGROOJRGOTSE-LJQANCHMSA-N 1 0 481.643 4.674 50 0 JJAARO C[C@@H](CCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)[NH+]1CCCCCC1 ZINC000065002555 524496199 /nfs/dbraw/zinc/49/61/99/524496199.db2.gz XMLLJHQEAGMAFH-DEOSSOPVSA-N 1 0 485.676 4.946 50 0 JJAARO C[C@@H](C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccccc2F)C3=O)CC1)c1ccccc1 ZINC000012217597 524619659 /nfs/dbraw/zinc/61/96/59/524619659.db2.gz PJXXROGNKODJOL-FQEVSTJZSA-N 1 0 457.549 4.548 50 0 JJAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014972921 524940166 /nfs/dbraw/zinc/94/01/66/524940166.db2.gz ZEKYIJQKWJEPPC-QFIPXVFZSA-N 1 0 491.639 4.718 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306196 524990894 /nfs/dbraw/zinc/99/08/94/524990894.db2.gz LMFMQGWZYSCVEO-HSZRJFAPSA-N 1 0 479.621 4.886 50 0 JJAARO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698345 525325199 /nfs/dbraw/zinc/32/51/99/525325199.db2.gz RBHHXDXSEJMALU-NDEPHWFRSA-N 1 0 469.585 4.943 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)[NH+]2CCCC2)cc1 ZINC000009127356 525358558 /nfs/dbraw/zinc/35/85/58/525358558.db2.gz QUJDAVAAUNDBTJ-SANMLTNESA-N 1 0 467.573 4.510 50 0 JJAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](CCC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310130 525433382 /nfs/dbraw/zinc/43/33/82/525433382.db2.gz XHBHCFTYTJAZIQ-FYYLOGMGSA-N 1 0 458.668 4.599 50 0 JJAARO CSCCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000014980042 525483723 /nfs/dbraw/zinc/48/37/23/525483723.db2.gz CCBHGJIFOLWXLV-INIZCTEOSA-N 1 0 467.582 4.725 50 0 JJAARO C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)ccc2N1C(=O)C1CCC1 ZINC000021871154 525522395 /nfs/dbraw/zinc/52/23/95/525522395.db2.gz QHGHXYCKFXMNRO-LJQANCHMSA-N 1 0 467.635 4.551 50 0 JJAARO COc1ccc2c(c1)c(CC(=O)NCCC[NH+]1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000008815616 525601454 /nfs/dbraw/zinc/60/14/54/525601454.db2.gz NJXNGTJLEUQWSF-UHFFFAOYSA-N 1 0 482.024 4.835 50 0 biogenic,in-vitro JJAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490101 525608988 /nfs/dbraw/zinc/60/89/88/525608988.db2.gz IRSKHJHQADMZNZ-UHFFFAOYSA-N 1 0 467.013 4.858 50 0 JJAARO COc1ccc2cc(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C3CC3)c(N(C)Cc3csc(C)n3)nc2c1 ZINC000012510312 525623608 /nfs/dbraw/zinc/62/36/08/525623608.db2.gz ZMSTXPPQHVXLST-VWLOTQADSA-N 1 0 493.677 4.620 50 0 JJAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3CC(C)C)o1 ZINC000014747546 525680836 /nfs/dbraw/zinc/68/08/36/525680836.db2.gz MXRYLGQIYKSYNU-QFIPXVFZSA-N 1 0 480.653 4.864 50 0 JJAARO Cc1cc2sc(N3CCC(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)CC3)nc2c(C)c1 ZINC000020383758 525701044 /nfs/dbraw/zinc/70/10/44/525701044.db2.gz ICWJYEZUGMQSJU-UHFFFAOYSA-N 1 0 497.753 4.586 50 0 JJAARO COc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3cccc(OCCO)c3)CC2)c1 ZINC000012279476 525715194 /nfs/dbraw/zinc/71/51/94/525715194.db2.gz NVWSVATXIVNXSG-UHFFFAOYSA-N 1 0 496.611 4.965 50 0 JJAARO COc1cccc(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2cccc(OC)c2OC)c1OC ZINC000002916654 525766300 /nfs/dbraw/zinc/76/63/00/525766300.db2.gz GVUHAWSWBCXULQ-INJZMFEXSA-N 1 0 460.534 4.502 50 0 JJAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)s3)no2)cc1 ZINC000035459905 525795169 /nfs/dbraw/zinc/79/51/69/525795169.db2.gz AVPZHGIQRMIXOY-UHFFFAOYSA-N 1 0 493.677 4.844 50 0 JJAARO COc1cccc(C[C@H](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014963817 526078939 /nfs/dbraw/zinc/07/89/39/526078939.db2.gz ORYQDTHKAHGYMJ-AREMUKBSSA-N 1 0 474.601 4.819 50 0 JJAARO Cc1cc(=O)c(C(=O)NCC(C)(C)C[NH+](C)C)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000014985714 526128981 /nfs/dbraw/zinc/12/89/81/526128981.db2.gz HQDIWWDUYYWJPW-QHCPKHFHSA-N 1 0 481.687 4.915 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305474 526241809 /nfs/dbraw/zinc/24/18/09/526241809.db2.gz LWOKHKWJQBYRPS-QFIPXVFZSA-N 1 0 465.594 4.638 50 0 JJAARO O[C@H](COc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150903 526290788 /nfs/dbraw/zinc/29/07/88/526290788.db2.gz MEIVMTOPDVRYDJ-SANMLTNESA-N 1 0 499.611 4.620 50 0 JJAARO O=C(NCCc1cccc(F)c1)c1cc2cc(C3(O)CC[NH+](Cc4ccco4)CC3)ccc2o1 ZINC000014987256 526417637 /nfs/dbraw/zinc/41/76/37/526417637.db2.gz DAGGPECVAKUVHI-UHFFFAOYSA-N 1 0 462.521 4.621 50 0 JJAARO O=C(NCCc1ccccn1)[C@H]1CC12CC[NH+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000012455372 526433353 /nfs/dbraw/zinc/43/33/53/526433353.db2.gz RENJNBSBZKZBPF-HHHXNRCGSA-N 1 0 455.602 4.622 50 0 JJAARO c1ccc(Cn2c(SCCN3CCOCC3)nnc2C2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000014963102 526478266 /nfs/dbraw/zinc/47/82/66/526478266.db2.gz IWTIVQBJELBIMX-UHFFFAOYSA-N 1 0 483.726 4.510 50 0 JJAARO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000014881651 526564583 /nfs/dbraw/zinc/56/45/83/526564583.db2.gz CFMHPEIECOBCCU-YZNIXAGQSA-N 1 0 469.629 4.592 50 0 JJAARO O=C(CCn1c(=O)oc2ccccc21)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000026404062 526669041 /nfs/dbraw/zinc/66/90/41/526669041.db2.gz GCRPRSVEGCRCJZ-UHFFFAOYSA-N 1 0 455.558 4.564 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)cc1)N1CCc2ccccc2C1 ZINC000012456805 526697354 /nfs/dbraw/zinc/69/73/54/526697354.db2.gz WNMQDECQKCGGHI-PMERELPUSA-N 1 0 481.640 4.758 50 0 JJAARO O=C(C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309077 526698016 /nfs/dbraw/zinc/69/80/16/526698016.db2.gz SAYMTBLKFDWUPX-IGKIAQTJSA-N 1 0 490.669 4.569 50 0 JJAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000020479091 526767633 /nfs/dbraw/zinc/76/76/33/526767633.db2.gz VTKHEBFKOLAQFF-UHFFFAOYSA-N 1 0 471.070 4.988 50 0 JJAARO Cc1nc(N2CCC[C@@H]([NH2+]CCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000014995374 526966490 /nfs/dbraw/zinc/96/64/90/526966490.db2.gz RNZNYEFCOOVGIZ-IMSXRSKXSA-N 1 0 482.694 4.673 50 0 JJAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]CCn3ccc4ccccc43)CC2)cc1 ZINC000014886523 526985292 /nfs/dbraw/zinc/98/52/92/526985292.db2.gz AESZWFVSAHAUIB-UHFFFAOYSA-N 1 0 468.601 4.917 50 0 JJAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+]Cc3cccc(-n4cccn4)c3)CC2)cc1 ZINC000014988394 526985781 /nfs/dbraw/zinc/98/57/81/526985781.db2.gz HPXFKOFYSQZJNM-UHFFFAOYSA-N 1 0 481.600 4.648 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000012246486 526989079 /nfs/dbraw/zinc/98/90/79/526989079.db2.gz SDQJFYCIWSKRNG-KRWDZBQOSA-N 1 0 450.892 4.906 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](C3Cc4ccccc4C3)CC2)N1CCc1ccccc1 ZINC000014746203 527037918 /nfs/dbraw/zinc/03/79/18/527037918.db2.gz LIPCCFGVLQQEGK-UHFFFAOYSA-N 1 0 479.624 4.696 50 0 JJAARO Cn1c(SCC[NH+]2CCCCC2)nnc1C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000014995026 527084931 /nfs/dbraw/zinc/08/49/31/527084931.db2.gz AKMIHWKRZMALGC-UHFFFAOYSA-N 1 0 452.043 4.565 50 0 JJAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)C(=O)N1C1CCCC1 ZINC000014988642 527086291 /nfs/dbraw/zinc/08/62/91/527086291.db2.gz PIDMGFKVKQHMEX-GDLZYMKVSA-N 1 0 488.607 4.995 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000014888510 527456937 /nfs/dbraw/zinc/45/69/37/527456937.db2.gz AAHXTXLNJVREQF-INIZCTEOSA-N 1 0 470.520 4.567 50 0 JJAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014742642 527507590 /nfs/dbraw/zinc/50/75/90/527507590.db2.gz RZAZTFZAWJNCBO-VQTJNVASSA-N 1 0 461.528 4.676 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000013986973 527530774 /nfs/dbraw/zinc/53/07/74/527530774.db2.gz CJSDRAWGXKAPLU-UHFFFAOYSA-N 1 0 461.631 4.646 50 0 JJAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)c12 ZINC000020282848 527554637 /nfs/dbraw/zinc/55/46/37/527554637.db2.gz FTEKKSJIXCQWDB-UHFFFAOYSA-N 1 0 459.638 4.755 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033269081 527611741 /nfs/dbraw/zinc/61/17/41/527611741.db2.gz ROTRGESUNJSSSW-HXUWFJFHSA-N 1 0 484.019 4.600 50 0 JJAARO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC(C)=NC2=N3)cc1 ZINC000000638079 553722164 /nfs/dbraw/zinc/72/21/64/553722164.db2.gz VOXLWZDTUPMREE-UIOOFZCWSA-N 1 0 452.514 4.898 50 0 JJAARO O[C@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(c2ccccn2)CC1 ZINC000000828003 553789285 /nfs/dbraw/zinc/78/92/85/553789285.db2.gz BDLYINSGUMXUTK-IBGZPJMESA-N 1 0 455.389 4.679 50 0 aggregator JJAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002314165 554144654 /nfs/dbraw/zinc/14/46/54/554144654.db2.gz AZMVECJNVIQIKU-MRXNPFEDSA-N 1 0 453.970 4.890 50 0 JJAARO O[C@@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)COCc1ccc2c(c1)OCO2 ZINC000002664067 554277091 /nfs/dbraw/zinc/27/70/91/554277091.db2.gz YRYBDWLKRUCDRP-SIKLNZKXSA-N 1 0 478.976 4.849 50 0 JJAARO C[NH+](C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NC(=O)c1ccccc1 ZINC000002668053 554279050 /nfs/dbraw/zinc/27/90/50/554279050.db2.gz XXCIUPFKOOHBTN-QNGOZBTKSA-N 1 0 472.372 4.702 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000002890274 554408750 /nfs/dbraw/zinc/40/87/50/554408750.db2.gz HLACSDZGTZKRBA-NRFANRHFSA-N 1 0 487.369 4.972 50 0 JJAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(OC)c(OCC(C)C)c3)C2)cc1OC ZINC000006134878 554506724 /nfs/dbraw/zinc/50/67/24/554506724.db2.gz ITCQFZZVZPVGGY-FQEVSTJZSA-N 1 0 456.583 4.598 50 0 JJAARO COc1cc2c(cc1OC)C(/C=C1\SC(NC(=O)c3ccccc3)=NN1c1ccccc1)=[NH+]CC2 ZINC000008438101 554588999 /nfs/dbraw/zinc/58/89/99/554588999.db2.gz MFCQARBDZAFVJM-UQQQWYQISA-N 1 0 484.581 4.845 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913609 554806345 /nfs/dbraw/zinc/80/63/45/554806345.db2.gz LWSGGPVKYQYYEN-UHFFFAOYSA-N 1 0 489.620 4.737 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008933592 554827794 /nfs/dbraw/zinc/82/77/94/554827794.db2.gz BZQFZRABWMJZIH-UHFFFAOYSA-N 1 0 467.617 4.738 50 0 JJAARO Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000008965819 554841023 /nfs/dbraw/zinc/84/10/23/554841023.db2.gz HQGGWXHKMSADHA-UHFFFAOYSA-N 1 0 451.574 4.852 50 0 JJAARO CC(C)[N@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000009115783 554902897 /nfs/dbraw/zinc/90/28/97/554902897.db2.gz QKFLSYIDYDZHLE-YTTGMZPUSA-N 1 0 456.583 4.757 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009119973 554912054 /nfs/dbraw/zinc/91/20/54/554912054.db2.gz RFCBYLFDHUHVOA-JOCHJYFZSA-N 1 0 451.567 4.589 50 0 JJAARO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(C)cc3)CC1)n2C ZINC000009123778 554914458 /nfs/dbraw/zinc/91/44/58/554914458.db2.gz UUXSAYZPKXIIQP-UHFFFAOYSA-N 1 0 483.616 4.507 50 0 JJAARO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1 ZINC000009251643 555026015 /nfs/dbraw/zinc/02/60/15/555026015.db2.gz SSJQPUCRMSCABD-UHFFFAOYSA-N 1 0 497.643 4.979 50 0 JJAARO O=C(CC[NH+]1CCCCC1)Nc1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000009309925 555085320 /nfs/dbraw/zinc/08/53/20/555085320.db2.gz DVYYOBRLSHFAOI-UHFFFAOYSA-N 1 0 454.368 4.772 50 0 JJAARO Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)c12 ZINC000009408539 555171343 /nfs/dbraw/zinc/17/13/43/555171343.db2.gz ZGFVYNYZXBUVIP-UHFFFAOYSA-N 1 0 461.654 4.825 50 0 JJAARO CCCC[N@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009432489 555201567 /nfs/dbraw/zinc/20/15/67/555201567.db2.gz XBGKNLSIKIWAAN-DNQXCXABSA-N 1 0 465.619 4.670 50 0 JJAARO CCCC[N@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009432490 555201584 /nfs/dbraw/zinc/20/15/84/555201584.db2.gz XBGKNLSIKIWAAN-BJKOFHAPSA-N 1 0 465.619 4.670 50 0 JJAARO CC[C@H](C)[N@H+](CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433779 555204038 /nfs/dbraw/zinc/20/40/38/555204038.db2.gz FJESBMXAQHQHLY-FQEVSTJZSA-N 1 0 473.573 4.623 50 0 JJAARO O=c1c(Cl)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000009471103 555254552 /nfs/dbraw/zinc/25/45/52/555254552.db2.gz VVUCCBINIWLZGW-SFHVURJKSA-N 1 0 463.891 4.549 50 0 JJAARO O[C@@H](COc1ccccc1)C[NH+](CCc1ccc(Cl)cc1Cl)C[C@@H](O)COc1ccccc1 ZINC000013149386 555352250 /nfs/dbraw/zinc/35/22/50/555352250.db2.gz SUWIQHPKSBUVAQ-DHIUTWEWSA-N 1 0 490.427 4.718 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000013366393 555389142 /nfs/dbraw/zinc/38/91/42/555389142.db2.gz BIVCLUGIRLPGFT-NDEPHWFRSA-N 1 0 499.680 4.725 50 0 JJAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1 ZINC000009671256 555390249 /nfs/dbraw/zinc/39/02/49/555390249.db2.gz JOFPDDLZMPABHV-UHFFFAOYSA-N 1 0 487.622 4.521 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674013 555398578 /nfs/dbraw/zinc/39/85/78/555398578.db2.gz JDOPEHPYFZIOCK-BGYRXZFFSA-N 1 0 462.638 4.706 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000009680660 555408543 /nfs/dbraw/zinc/40/85/43/555408543.db2.gz LUPJMYLIQQHUIP-UHFFFAOYSA-N 1 0 450.583 4.847 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000009686370 555414911 /nfs/dbraw/zinc/41/49/11/555414911.db2.gz LNEZFEAKWQYLGZ-UHFFFAOYSA-N 1 0 493.652 4.589 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009712224 555436065 /nfs/dbraw/zinc/43/60/65/555436065.db2.gz MHJFEMQLVCJCDR-QHCPKHFHSA-N 1 0 456.546 4.708 50 0 JJAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000009731648 555468752 /nfs/dbraw/zinc/46/87/52/555468752.db2.gz UNJOLXQCSPNXPR-UHFFFAOYSA-N 1 0 475.438 4.802 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000009835768 555541118 /nfs/dbraw/zinc/54/11/18/555541118.db2.gz ZONPMJINROAUIX-VSGBNLITSA-N 1 0 485.628 4.634 50 0 JJAARO Cc1cccc2c1-c1sc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc1CO2 ZINC000009970088 555567490 /nfs/dbraw/zinc/56/74/90/555567490.db2.gz QOWRHCZNEJPUDV-UHFFFAOYSA-N 1 0 465.594 4.697 50 0 JJAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1ccc(COc2ccc(Br)cc2)o1 ZINC000020028600 555604225 /nfs/dbraw/zinc/60/42/25/555604225.db2.gz WPTMPUIMAIOHMQ-UHFFFAOYSA-N 1 0 465.417 4.900 50 0 JJAARO CCC[NH+]1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104174 555636264 /nfs/dbraw/zinc/63/62/64/555636264.db2.gz SRFRGBIIRYDEIG-NSOVKSMOSA-N 1 0 489.660 4.863 50 0 JJAARO Cc1ncsc1CCCNC(=O)CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000020119004 555655222 /nfs/dbraw/zinc/65/52/22/555655222.db2.gz PZBDIWGQYVQSOC-QHCPKHFHSA-N 1 0 453.583 4.665 50 0 JJAARO COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)c2ccccc12 ZINC000014075092 555679465 /nfs/dbraw/zinc/67/94/65/555679465.db2.gz DUVAVSUPUBQTBZ-XMMPIXPASA-N 1 0 485.628 4.613 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000014079265 555681183 /nfs/dbraw/zinc/68/11/83/555681183.db2.gz QWEKDOQGZOYXAY-HHHXNRCGSA-N 1 0 481.600 4.900 50 0 JJAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21 ZINC000020181011 555687601 /nfs/dbraw/zinc/68/76/01/555687601.db2.gz VYFXFPWEGWMCIT-CJLVFECKSA-N 1 0 458.027 4.668 50 0 JJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181216 555687912 /nfs/dbraw/zinc/68/79/12/555687912.db2.gz HBISQAVZEBSZAE-VKINRBECSA-N 1 0 467.610 4.544 50 0 JJAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000020181670 555689213 /nfs/dbraw/zinc/68/92/13/555689213.db2.gz SBYGSVPKRWBLAW-MSPRMREJSA-N 1 0 477.674 4.967 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2c(F)cccc2F)C4)cs1 ZINC000020210329 555703102 /nfs/dbraw/zinc/70/31/02/555703102.db2.gz SAGLBTIJVXPDJN-GXTWGEPZSA-N 1 0 472.586 4.758 50 0 JJAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000014199475 555731009 /nfs/dbraw/zinc/73/10/09/555731009.db2.gz OOWAZRKIWXXXBM-OYRHEFFESA-N 1 0 499.677 4.501 50 0 JJAARO Cc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1NC(=O)c1ccco1 ZINC000014240660 555741635 /nfs/dbraw/zinc/74/16/35/555741635.db2.gz VGNUCSIXXBOBRC-QFIPXVFZSA-N 1 0 459.546 4.558 50 0 JJAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014242389 555744327 /nfs/dbraw/zinc/74/43/27/555744327.db2.gz CDHCBXCZTHDYAG-QHCPKHFHSA-N 1 0 459.615 4.730 50 0 JJAARO CCc1ccc(Nc2nnc(SCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000011539597 555786340 /nfs/dbraw/zinc/78/63/40/555786340.db2.gz ZNZPBNKPXMXJAX-UHFFFAOYSA-N 1 0 467.664 4.717 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000011652459 555794264 /nfs/dbraw/zinc/79/42/64/555794264.db2.gz YYNLZHXGEQJXFC-YADHBBJMSA-N 1 0 462.421 4.701 50 0 JJAARO CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)c1 ZINC000020532233 555801326 /nfs/dbraw/zinc/80/13/26/555801326.db2.gz GHFHJOYZGDZIJJ-KRWDZBQOSA-N 1 0 466.607 4.976 50 0 JJAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)N(C)C(=O)c2ccco2)c1 ZINC000011782748 555813417 /nfs/dbraw/zinc/81/34/17/555813417.db2.gz KMCBOSNJJBOJPD-SANMLTNESA-N 1 0 492.616 4.901 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CC[NH+](Cc1cc(C(C)C)n[nH]1)CC2 ZINC000011784884 555816515 /nfs/dbraw/zinc/81/65/15/555816515.db2.gz DIJANJWHFYSNIR-FTJBHMTQSA-N 1 0 476.596 4.706 50 0 JJAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccc(F)cc1F)CC2 ZINC000014531207 555818356 /nfs/dbraw/zinc/81/83/56/555818356.db2.gz VGVUSIKIVFBDDX-UHFFFAOYSA-N 1 0 484.591 4.638 50 0 JJAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN(CC[NH+](C)C)C(=O)[C@H]2CCCO2)CCC4)c1 ZINC000011785978 555819004 /nfs/dbraw/zinc/81/90/04/555819004.db2.gz QHIAQWFISKXIJJ-HHHXNRCGSA-N 1 0 457.618 4.768 50 0 JJAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cccc3ncccc13)CC2 ZINC000014531986 555819555 /nfs/dbraw/zinc/81/95/55/555819555.db2.gz KSTCPDLXEOTRNH-UHFFFAOYSA-N 1 0 464.569 4.817 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000014532155 555819614 /nfs/dbraw/zinc/81/96/14/555819614.db2.gz CRLICCGVAVSTHM-RUDMXATFSA-N 1 0 487.600 4.782 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccc4cccnc4c3)CC2)N1Cc1ccccc1 ZINC000014532461 555820240 /nfs/dbraw/zinc/82/02/40/555820240.db2.gz ONMPISNDBZWUIV-UHFFFAOYSA-N 1 0 491.595 4.629 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+]([C@@H](C)Cc4cccc(OC)c4)CC3)C2=O)cc1 ZINC000014535109 555823995 /nfs/dbraw/zinc/82/39/95/555823995.db2.gz UIPWBAHAXFYLKJ-QFIPXVFZSA-N 1 0 493.648 4.590 50 0 JJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](CC3CCCCC3)C2)cc1 ZINC000011789884 555825350 /nfs/dbraw/zinc/82/53/50/555825350.db2.gz HDGPZUQMGOFGDW-RPBOFIJWSA-N 1 0 478.662 4.775 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CCCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014538886 555828679 /nfs/dbraw/zinc/82/86/79/555828679.db2.gz AZLLABRAMCTLLB-IZZNHLLZSA-N 1 0 473.661 4.744 50 0 JJAARO COc1ccccc1C[NH+]1CCC([C@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000011813571 555829120 /nfs/dbraw/zinc/82/91/20/555829120.db2.gz MBJXLGCXWFFLLT-MHZLTWQESA-N 1 0 482.024 4.504 50 0 JJAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c12 ZINC000020579134 555833910 /nfs/dbraw/zinc/83/39/10/555833910.db2.gz IJXLXWAQNVXAFU-QGZVFWFLSA-N 1 0 454.018 4.993 50 0 JJAARO COc1ccc(CCNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2C[NH+](C)C)cc1 ZINC000011841411 555834281 /nfs/dbraw/zinc/83/42/81/555834281.db2.gz VTZCMRNPBYJFCP-UHFFFAOYSA-N 1 0 475.614 4.771 50 0 JJAARO COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CC[NH+](Cc4ccccc4)CC3)cc2O)cc1 ZINC000020590768 555837962 /nfs/dbraw/zinc/83/79/62/555837962.db2.gz DVYWTKNBPSAARQ-UHFFFAOYSA-N 1 0 484.600 4.655 50 0 JJAARO CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3cc4ccccc4o3)n2)c1C1CC1 ZINC000014999154 555843689 /nfs/dbraw/zinc/84/36/89/555843689.db2.gz ORXVFOOOXQTKSK-UHFFFAOYSA-N 1 0 472.593 4.757 50 0 JJAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000020776164 555848012 /nfs/dbraw/zinc/84/80/12/555848012.db2.gz ZONFHCPKJJEKHH-RPLLCQBOSA-N 1 0 482.068 4.770 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(C(F)(F)F)cc1F ZINC000015006816 555851227 /nfs/dbraw/zinc/85/12/27/555851227.db2.gz DEZGWRVABUKHQT-MRXNPFEDSA-N 1 0 472.866 4.898 50 0 JJAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CCC2=CCCCC2)C4)n1 ZINC000015006904 555851595 /nfs/dbraw/zinc/85/15/95/555851595.db2.gz DDSFZUHXLMWVTH-OAQYLSRUSA-N 1 0 465.667 4.699 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)C[C@H]2C)c1 ZINC000021934650 555857556 /nfs/dbraw/zinc/85/75/56/555857556.db2.gz DNAOJOAECSRQIU-HSZRJFAPSA-N 1 0 479.628 4.936 50 0 JJAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cc(CC(C)C)n[nH]1)CC2 ZINC000011911619 555859529 /nfs/dbraw/zinc/85/95/29/555859529.db2.gz PQQYCXFBDRKGMU-SXOMAYOGSA-N 1 0 492.689 4.632 50 0 JJAARO Cc1ccc([C@H](C)CC[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000015065775 555866809 /nfs/dbraw/zinc/86/68/09/555866809.db2.gz YXUBFYDHFSJCCL-QGZVFWFLSA-N 1 0 450.539 4.596 50 0 JJAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000015066853 555867142 /nfs/dbraw/zinc/86/71/42/555867142.db2.gz FHAPJGUZXGZTLU-IRLDBZIGSA-N 1 0 460.496 4.505 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000011968732 555873036 /nfs/dbraw/zinc/87/30/36/555873036.db2.gz WEKOLDYXSFIGNK-GOSISDBHSA-N 1 0 460.525 4.629 50 0 JJAARO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cn2cccn2)c1)Cc1cccc2cccnc21 ZINC000011978252 555875876 /nfs/dbraw/zinc/87/58/76/555875876.db2.gz LZWGPSNSVGZSFI-MHZLTWQESA-N 1 0 497.643 4.914 50 0 JJAARO CCCCN(C)C(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000012036107 555889151 /nfs/dbraw/zinc/88/91/51/555889151.db2.gz CIZIGGXXQOFIOO-HXUWFJFHSA-N 1 0 452.595 4.952 50 0 JJAARO Cc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)c(C)c1 ZINC000012037578 555890761 /nfs/dbraw/zinc/89/07/61/555890761.db2.gz DUVFLBJIFIVXEY-UHFFFAOYSA-N 1 0 464.631 4.722 50 0 JJAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]CCCOc3cccnc3)CC2)cc1 ZINC000012038258 555891378 /nfs/dbraw/zinc/89/13/78/555891378.db2.gz ORRLOUMNKTYYLY-UHFFFAOYSA-N 1 0 458.606 4.680 50 0 JJAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041105 555893766 /nfs/dbraw/zinc/89/37/66/555893766.db2.gz GXTLJHFHZIEEMN-HSZRJFAPSA-N 1 0 479.628 4.813 50 0 JJAARO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](C/C=C/c2ccccc2)CC3)c1 ZINC000012041550 555894080 /nfs/dbraw/zinc/89/40/80/555894080.db2.gz LZGITJZZKNWHHW-MUNMYPBESA-N 1 0 471.649 4.984 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2C2CC2)nc1-c1cccs1 ZINC000012047569 555895437 /nfs/dbraw/zinc/89/54/37/555895437.db2.gz XQXSQHWUCYZIQU-PZJWPPBQSA-N 1 0 476.650 4.571 50 0 JJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000015318877 555896922 /nfs/dbraw/zinc/89/69/22/555896922.db2.gz MEMMJGXLTRSCSG-UWJYYQICSA-N 1 0 484.522 4.935 50 0 JJAARO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)ccc1OC ZINC000012129088 555911084 /nfs/dbraw/zinc/91/10/84/555911084.db2.gz SPIKRYZWSCQMHO-IBGZPJMESA-N 1 0 458.986 4.997 50 0 JJAARO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000015581169 555916657 /nfs/dbraw/zinc/91/66/57/555916657.db2.gz LPLTVWZNGZJCHE-UHFFFAOYSA-N 1 0 468.189 4.637 50 0 JJAARO CC(C)[NH+](CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O)C(C)C ZINC000022299886 555918802 /nfs/dbraw/zinc/91/88/02/555918802.db2.gz DQMXDFMGSTWCRO-IBGZPJMESA-N 1 0 452.624 4.635 50 0 JJAARO c1cc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)co1 ZINC000012148847 555920758 /nfs/dbraw/zinc/92/07/58/555920758.db2.gz DYQKFAXVVBKDSY-QHCPKHFHSA-N 1 0 452.624 4.765 50 0 JJAARO COc1ccc(OC)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)c1 ZINC000012166262 555933114 /nfs/dbraw/zinc/93/31/14/555933114.db2.gz QNWUCMVBWGQJNV-OAQYLSRUSA-N 1 0 462.512 4.641 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000015675637 555934193 /nfs/dbraw/zinc/93/41/93/555934193.db2.gz CUDWGKSZWNMFKZ-MHZLTWQESA-N 1 0 468.642 4.554 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000015675639 555934286 /nfs/dbraw/zinc/93/42/86/555934286.db2.gz CUDWGKSZWNMFKZ-HHHXNRCGSA-N 1 0 468.642 4.554 50 0 JJAARO CCn1cc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c(C)n1 ZINC000012196379 555942360 /nfs/dbraw/zinc/94/23/60/555942360.db2.gz YEAZICLEKMRYSV-XMMPIXPASA-N 1 0 450.652 4.868 50 0 JJAARO COc1cc(C[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)cc(OC)c1 ZINC000012247821 555946960 /nfs/dbraw/zinc/94/69/60/555946960.db2.gz NLITVGPEEIZQAI-NRFANRHFSA-N 1 0 473.617 4.953 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681540 555950599 /nfs/dbraw/zinc/95/05/99/555950599.db2.gz IPJCCJMYUIQGOW-UHFFFAOYSA-N 1 0 485.607 4.877 50 0 JJAARO COc1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1OC ZINC000015727080 555966225 /nfs/dbraw/zinc/96/62/25/555966225.db2.gz AYMALCDREOUFDU-UHFFFAOYSA-N 1 0 454.958 4.571 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C[C@@H]2C)c1 ZINC000015727127 555966307 /nfs/dbraw/zinc/96/63/07/555966307.db2.gz HCGHITBZEOLBQC-QHCPKHFHSA-N 1 0 489.664 4.688 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[NH+]3CCC(Cc4ccccc4)CC3)c21 ZINC000015727452 555966822 /nfs/dbraw/zinc/96/68/22/555966822.db2.gz SMWUUWRFULOKAH-UHFFFAOYSA-N 1 0 450.583 4.773 50 0 JJAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 ZINC000015727907 555967167 /nfs/dbraw/zinc/96/71/67/555967167.db2.gz YMEWEKWBLFAUIO-UHFFFAOYSA-N 1 0 463.509 4.550 50 0 JJAARO O[C@H](COc1ccc(Br)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022916689 555970620 /nfs/dbraw/zinc/97/06/20/555970620.db2.gz RYONDBYZEQRKML-DEOSSOPVSA-N 1 0 481.434 4.596 50 0 JJAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc21 ZINC000012383490 555971463 /nfs/dbraw/zinc/97/14/63/555971463.db2.gz YCFSCTSMWHIZHJ-INIZCTEOSA-N 1 0 453.384 4.664 50 0 JJAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000012383489 555971582 /nfs/dbraw/zinc/97/15/82/555971582.db2.gz HZSSVFWHQZPVCS-MRXNPFEDSA-N 1 0 453.384 4.664 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000012456123 555981548 /nfs/dbraw/zinc/98/15/48/555981548.db2.gz KGRBWKKPSZLAPT-OAQYLSRUSA-N 1 0 484.629 4.581 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3csc(-c4cccc(OC)c4OC)n3)c(C)c2)CC1 ZINC000012527891 555996388 /nfs/dbraw/zinc/99/63/88/555996388.db2.gz LVLNPLPHNNPXJX-UHFFFAOYSA-N 1 0 466.607 4.530 50 0 JJAARO COc1ccc(C[N@H+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000023074286 556004638 /nfs/dbraw/zinc/00/46/38/556004638.db2.gz ZAOIMWQOKOOKGC-HXUWFJFHSA-N 1 0 477.630 4.955 50 0 JJAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012537788 556010936 /nfs/dbraw/zinc/01/09/36/556010936.db2.gz ZDSCBOKOOZPOGC-VWLOTQADSA-N 1 0 470.535 4.995 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccco1 ZINC000012538364 556011778 /nfs/dbraw/zinc/01/17/78/556011778.db2.gz DJPGBNDYZLWSGG-NRFANRHFSA-N 1 0 495.674 4.804 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334412 556043985 /nfs/dbraw/zinc/04/39/85/556043985.db2.gz YDOZLNRDTHNSKY-VWLOTQADSA-N 1 0 457.622 4.948 50 0 JJAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)c1 ZINC000023334698 556044045 /nfs/dbraw/zinc/04/40/45/556044045.db2.gz RQCQCXIIKGFKNF-SFHVURJKSA-N 1 0 452.603 4.594 50 0 JJAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023359063 556048862 /nfs/dbraw/zinc/04/88/62/556048862.db2.gz AWURNCGPDKFJDL-UHFFFAOYSA-N 1 0 491.651 4.704 50 0 JJAARO CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000012564294 556060106 /nfs/dbraw/zinc/06/01/06/556060106.db2.gz UIUKWCWHBJLKKF-UHFFFAOYSA-N 1 0 464.031 4.607 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)[NH+]2CCCCC2)cc1 ZINC000012569671 556072756 /nfs/dbraw/zinc/07/27/56/556072756.db2.gz NMQDLTPGPKPQQB-SANMLTNESA-N 1 0 463.578 4.836 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccccc1C(F)(F)F ZINC000012572486 556073914 /nfs/dbraw/zinc/07/39/14/556073914.db2.gz BAMPKPFGOJQBMY-INIZCTEOSA-N 1 0 454.876 4.758 50 0 JJAARO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1I ZINC000015946349 556082902 /nfs/dbraw/zinc/08/29/02/556082902.db2.gz UFLVCKIGSJEZAU-KRWDZBQOSA-N 1 0 483.375 4.557 50 0 JJAARO CC[N@H+](CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1)Cc1ccccc1 ZINC000015951898 556086814 /nfs/dbraw/zinc/08/68/14/556086814.db2.gz KHRRAJSWMKPZAS-UHFFFAOYSA-N 1 0 462.619 4.952 50 0 JJAARO 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 556094166 /nfs/dbraw/zinc/09/41/66/556094166.db2.gz NWZOJQQDEHLRJJ-JITMLBNLSA-N 1 0 491.591 4.626 50 0 JJAARO CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000012804810 556114569 /nfs/dbraw/zinc/11/45/69/556114569.db2.gz QFSPVXJODDPWPL-UHFFFAOYSA-N 1 0 464.635 4.907 50 0 JJAARO Cc1csc(SCc2c3ccccc3oc2C(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000024086875 556120972 /nfs/dbraw/zinc/12/09/72/556120972.db2.gz KMZGMNCLGNAIOU-UHFFFAOYSA-N 1 0 450.589 4.847 50 0 JJAARO Cc1csc2nc(CN3CC[NH+](Cc4ccc(-c5ccccc5Cl)s4)CC3)cc(=O)n12 ZINC000024831451 556158033 /nfs/dbraw/zinc/15/80/33/556158033.db2.gz LBDSWGWNDFNJKP-UHFFFAOYSA-N 1 0 471.051 4.764 50 0 JJAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012973811 556165453 /nfs/dbraw/zinc/16/54/53/556165453.db2.gz CWJIGILYGQCCKP-NRFANRHFSA-N 1 0 463.603 4.611 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c2cccs2)CC1 ZINC000012997928 556190607 /nfs/dbraw/zinc/19/06/07/556190607.db2.gz ZKHQGCMKKLFRCS-GOSISDBHSA-N 1 0 498.699 4.837 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017041149 556208018 /nfs/dbraw/zinc/20/80/18/556208018.db2.gz JHIKWAGKFGAYTF-MUUNZHRXSA-N 1 0 469.585 4.724 50 0 JJAARO COc1cc(C[NH2+][C@@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000025358967 556210486 /nfs/dbraw/zinc/21/04/86/556210486.db2.gz KBXRCKQYGRZMIM-INIZCTEOSA-N 1 0 459.468 4.977 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3sc(NC(=O)c4ccco4)cc3C)c(C)c2)CC1 ZINC000026073312 556240598 /nfs/dbraw/zinc/24/05/98/556240598.db2.gz LATPBKFTMLFBJH-UHFFFAOYSA-N 1 0 452.580 4.604 50 0 JJAARO COc1cccc([C@@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)[NH+]2CCCC2)c1 ZINC000027341466 556276481 /nfs/dbraw/zinc/27/64/81/556276481.db2.gz NCGHNLSXDWYMOU-HSZRJFAPSA-N 1 0 472.676 4.896 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018019214 556277207 /nfs/dbraw/zinc/27/72/07/556277207.db2.gz VQDFGVYMOGRAHB-HHHXNRCGSA-N 1 0 457.618 4.891 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)n1 ZINC000013076077 556277845 /nfs/dbraw/zinc/27/78/45/556277845.db2.gz ICQZVIZKOBZAHP-FFPFKGOPSA-N 1 0 470.602 4.556 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)[NH+]1CCCC1 ZINC000027569995 556297899 /nfs/dbraw/zinc/29/78/99/556297899.db2.gz QMRWCEZPOXFXEK-FQEVSTJZSA-N 1 0 456.949 4.549 50 0 JJAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCC([NH+]6CCCCC6)CC5)C4=O)cc3)sc2c1 ZINC000018195633 556302807 /nfs/dbraw/zinc/30/28/07/556302807.db2.gz GLPAQLSXOCDVQI-DEOSSOPVSA-N 1 0 488.657 4.854 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000013113463 556318125 /nfs/dbraw/zinc/31/81/25/556318125.db2.gz JIKLBHWDBDGWQL-UHFFFAOYSA-N 1 0 468.601 4.670 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289677 556328028 /nfs/dbraw/zinc/32/80/28/556328028.db2.gz SBCJYQHFFGBGAZ-LJQANCHMSA-N 1 0 471.395 4.886 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)[NH+]2CCCCC2)cc1 ZINC000013120608 556333120 /nfs/dbraw/zinc/33/31/20/556333120.db2.gz GMDATYLXKQSNLD-MHZLTWQESA-N 1 0 454.574 4.991 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000013127742 556344418 /nfs/dbraw/zinc/34/44/18/556344418.db2.gz GHJLDHVNGGAWQY-RUZDIDTESA-N 1 0 454.574 4.640 50 0 JJAARO C[C@H]([NH2+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(=O)N1CCOCC1 ZINC000019623115 556358007 /nfs/dbraw/zinc/35/80/07/556358007.db2.gz PVSGVBDLYFHFGB-SQJMNOBHSA-N 1 0 453.586 4.804 50 0 JJAARO COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@H](c2cccs2)[NH+](C)C)C1=O ZINC000019820043 556388893 /nfs/dbraw/zinc/38/88/93/556388893.db2.gz FXXGCUDXHXOTAF-LUDQZLGDSA-N 1 0 482.005 4.831 50 0 JJAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]C[C@@H](c3ccccc3)N3CCCCCC3)CC2)c1 ZINC000032590490 556447184 /nfs/dbraw/zinc/44/71/84/556447184.db2.gz JIAOVKJJCCBATO-MHZLTWQESA-N 1 0 484.710 4.624 50 0 JJAARO CCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)ccc1O ZINC000032623767 556453656 /nfs/dbraw/zinc/45/36/56/556453656.db2.gz DMJPLGQFWKGZDH-QHCPKHFHSA-N 1 0 484.980 4.828 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c(C)c2)CC1 ZINC000032719536 556474279 /nfs/dbraw/zinc/47/42/79/556474279.db2.gz FZFDSTFXLWTNHB-MHZLTWQESA-N 1 0 469.585 4.843 50 0 JJAARO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@@H](C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000032916674 556541031 /nfs/dbraw/zinc/54/10/31/556541031.db2.gz BIPSHZIKKUNOEN-NRFANRHFSA-N 1 0 486.620 4.603 50 0 JJAARO Brc1ccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000008613468 562948076 /nfs/dbraw/zinc/94/80/76/562948076.db2.gz MPKOXFXDJKNRDT-UHFFFAOYSA-N 1 0 456.369 4.567 50 0 JJAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@H](CC(C)C)N3Cc4ccccc4C3=O)CC2)c1 ZINC000008619057 562948283 /nfs/dbraw/zinc/94/82/83/562948283.db2.gz NCUBCPJLYPUURA-MHZLTWQESA-N 1 0 461.650 4.702 50 0 JJAARO COc1cc(CN2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)ccc1F ZINC000012024354 562958510 /nfs/dbraw/zinc/95/85/10/562958510.db2.gz MPZWASYRYXPSOF-UHFFFAOYSA-N 1 0 477.580 4.667 50 0 JJAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 ZINC000032969140 563109907 /nfs/dbraw/zinc/10/99/07/563109907.db2.gz NTFHALOPKOYXIS-VGSWGCGISA-N 1 0 461.400 4.568 50 0 JJAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 ZINC000032969138 563109949 /nfs/dbraw/zinc/10/99/49/563109949.db2.gz NTFHALOPKOYXIS-VGOFRKELSA-N 1 0 461.400 4.568 50 0 JJAARO CCc1ccccc1NC(=O)CN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000052996421 563204897 /nfs/dbraw/zinc/20/48/97/563204897.db2.gz NIIRHXLLCVTEGD-UHFFFAOYSA-N 1 0 475.593 4.821 50 0 JJAARO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431533 569589467 /nfs/dbraw/zinc/58/94/67/569589467.db2.gz QNYKNOXEGLLUAM-ZTCOLXNVSA-N 1 0 492.660 4.740 50 0 JJAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCCCNC(=O)[C@@H]4CCOC(C)(C)C4)c3)CC2)c1C ZINC000055042198 569590561 /nfs/dbraw/zinc/59/05/61/569590561.db2.gz FEXHSILWBMMGFT-AREMUKBSSA-N 1 0 493.692 4.716 50 0 JJAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1I ZINC000055529413 569592089 /nfs/dbraw/zinc/59/20/89/569592089.db2.gz BOWDBMZLEJJNQG-UHFFFAOYSA-N 1 0 497.380 4.866 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)cc2)c1 ZINC000057222915 569594797 /nfs/dbraw/zinc/59/47/97/569594797.db2.gz DZXVTCNIXNXSIK-UHFFFAOYSA-N 1 0 457.574 4.746 50 0 JJAARO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000057254357 569594958 /nfs/dbraw/zinc/59/49/58/569594958.db2.gz MTIDZJASUDQVFA-UHFFFAOYSA-N 1 0 495.048 4.798 50 0 JJAARO Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1C ZINC000057251261 569595009 /nfs/dbraw/zinc/59/50/09/569595009.db2.gz XDDGBVVJSAGZSQ-UHFFFAOYSA-N 1 0 458.631 4.752 50 0 JJAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057256205 569595013 /nfs/dbraw/zinc/59/50/13/569595013.db2.gz YLRMWGSKFXWGGQ-NDEPHWFRSA-N 1 0 470.592 4.873 50 0 biogenic JJAARO O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057296841 569596118 /nfs/dbraw/zinc/59/61/18/569596118.db2.gz KCLXCLUSSPXQHQ-UHFFFAOYSA-N 1 0 467.573 4.630 50 0 JJAARO C[C@H]1CCc2c(sc3nc(CC[N@@H+]4CCCN(c5ccc(C(F)(F)F)cn5)CC4)nc(N)c23)C1 ZINC000008718764 569597172 /nfs/dbraw/zinc/59/71/72/569597172.db2.gz PYKAOOMXPZGHBA-HNNXBMFYSA-N 1 0 490.599 4.567 50 0 JJAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)C1 ZINC000032983621 569606836 /nfs/dbraw/zinc/60/68/36/569606836.db2.gz CZGSQJHYYDYXRJ-PGECNJAHSA-N 1 0 453.970 4.564 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983890 569607180 /nfs/dbraw/zinc/60/71/80/569607180.db2.gz SEOQWVGYYJUUEW-QJOMJCCJSA-N 1 0 453.970 4.708 50 0 JJAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000060207263 569608507 /nfs/dbraw/zinc/60/85/07/569608507.db2.gz JALYRGWJFKKHLB-AWEZNQCLSA-N 1 0 462.438 4.760 50 0 JJAARO O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000060355298 569608779 /nfs/dbraw/zinc/60/87/79/569608779.db2.gz ZXVMNUFYKOVGMC-UHFFFAOYSA-N 1 0 456.512 4.672 50 0 JJAARO O=C(c1ccc2c(c1)NC(=O)CS2)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000062580655 569611706 /nfs/dbraw/zinc/61/17/06/569611706.db2.gz ORZLLLUSKJLTHH-UHFFFAOYSA-N 1 0 464.418 4.776 50 0 JJAARO COc1cc(C[N@H+](C)Cn2ccc(=O)c3cccc(OC(F)(F)F)c32)ccc1OC(F)F ZINC000062582569 569612008 /nfs/dbraw/zinc/61/20/08/569612008.db2.gz MXVXYPOUEPBXDC-UHFFFAOYSA-N 1 0 458.383 4.600 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cccc(NC(=O)c4nnc(C5CC5)s4)c3)CC2)cc1 ZINC000033023060 569619448 /nfs/dbraw/zinc/61/94/48/569619448.db2.gz AERRTNBSOSDWMS-UHFFFAOYSA-N 1 0 489.645 4.618 50 0 JJAARO Cc1ccc(-c2nnc(SCC(=O)N3CC[NH+](C4CCCCC4)CC3)n2-c2ccccc2)cc1 ZINC000033025705 569620690 /nfs/dbraw/zinc/62/06/90/569620690.db2.gz OENXLGDRANRYMW-UHFFFAOYSA-N 1 0 475.662 4.812 50 0 JJAARO C[C@@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000033331708 569624235 /nfs/dbraw/zinc/62/42/35/569624235.db2.gz VSHKJGLVEWLCJJ-NDEPHWFRSA-N 1 0 490.673 4.641 50 0 JJAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(OCC)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746073 569625240 /nfs/dbraw/zinc/62/52/40/569625240.db2.gz FLDWUOTWOWKXOG-UHFFFAOYSA-N 1 0 454.644 4.743 50 0 JJAARO Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679776 569642785 /nfs/dbraw/zinc/64/27/85/569642785.db2.gz VNOPTKCLKJNSPD-UHFFFAOYSA-N 1 0 469.629 4.987 50 0 JJAARO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683839 569644643 /nfs/dbraw/zinc/64/46/43/569644643.db2.gz MWMKUZFQHSEBTF-UHFFFAOYSA-N 1 0 470.616 4.645 50 0 JJAARO Cc1ccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697670 569647542 /nfs/dbraw/zinc/64/75/42/569647542.db2.gz BIBQDEBNNDMLLW-LBNVMWSVSA-N 1 0 457.593 4.812 50 0 JJAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000034724714 569652686 /nfs/dbraw/zinc/65/26/86/569652686.db2.gz CKQLXPOPTKLZQJ-UHFFFAOYSA-N 1 0 474.649 4.500 50 0 JJAARO Cc1ccc(C(=O)NC[C@H]2CCCO2)c(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034725701 569652768 /nfs/dbraw/zinc/65/27/68/569652768.db2.gz ZHJOEGCJBPQNKP-HXUWFJFHSA-N 1 0 461.528 4.697 50 0 JJAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000034725501 569652789 /nfs/dbraw/zinc/65/27/89/569652789.db2.gz UPBULJBZFRZSGD-UHFFFAOYSA-N 1 0 473.617 4.759 50 0 JJAARO Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034725697 569652802 /nfs/dbraw/zinc/65/28/02/569652802.db2.gz ZHJOEGCJBPQNKP-FQEVSTJZSA-N 1 0 461.528 4.697 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063032 569656323 /nfs/dbraw/zinc/65/63/23/569656323.db2.gz DUHFWQFRIAVEJB-UHFFFAOYSA-N 1 0 491.592 4.546 50 0 JJAARO COc1ccc(-c2nc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)s3)no2)cc1 ZINC000065062882 569656346 /nfs/dbraw/zinc/65/63/46/569656346.db2.gz DYMSHFPLESVXHE-UHFFFAOYSA-N 1 0 474.586 4.868 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)C3CCCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034814890 569662877 /nfs/dbraw/zinc/66/28/77/569662877.db2.gz XBXVLLQJVUBHRI-UHFFFAOYSA-N 1 0 465.686 4.888 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(CC)cc1 ZINC000034831217 569664070 /nfs/dbraw/zinc/66/40/70/569664070.db2.gz KNNYRFIODFKDFV-UHFFFAOYSA-N 1 0 459.638 4.547 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)c3cccs3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831298 569664193 /nfs/dbraw/zinc/66/41/93/569664193.db2.gz FXUAKNPFBQSCOO-UHFFFAOYSA-N 1 0 469.630 4.574 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccccc1 ZINC000034832058 569664487 /nfs/dbraw/zinc/66/44/87/569664487.db2.gz XNPTUEGDABWFAR-QFIPXVFZSA-N 1 0 491.655 4.832 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835024 569664870 /nfs/dbraw/zinc/66/48/70/569664870.db2.gz VWVQTQHXCFOICQ-JOCHJYFZSA-N 1 0 491.655 4.832 50 0 JJAARO CCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034835202 569664896 /nfs/dbraw/zinc/66/48/96/569664896.db2.gz MWDUUOSJGVRXJH-UHFFFAOYSA-N 1 0 483.701 4.658 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccccc1OC ZINC000034835094 569664910 /nfs/dbraw/zinc/66/49/10/569664910.db2.gz YBROWFOWDUJDLK-JOCHJYFZSA-N 1 0 489.664 4.772 50 0 JJAARO CCCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)CC(C)C ZINC000034835293 569664928 /nfs/dbraw/zinc/66/49/28/569664928.db2.gz FANBRKOOBZVADS-UHFFFAOYSA-N 1 0 471.665 4.889 50 0 JJAARO CCCC[C@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034835157 569664978 /nfs/dbraw/zinc/66/49/78/569664978.db2.gz VAWWHYGNXIDBTG-VWLOTQADSA-N 1 0 497.728 4.904 50 0 JJAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](CC)CC2)c1CN(CC)Cc1cccc(OC)c1 ZINC000034836362 569665317 /nfs/dbraw/zinc/66/53/17/569665317.db2.gz PWYQFBHEWSTXDC-UHFFFAOYSA-N 1 0 479.644 4.746 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1)Cc1ccccc1F ZINC000034836463 569665739 /nfs/dbraw/zinc/66/57/39/569665739.db2.gz YVVXFODVCMJYNO-UHFFFAOYSA-N 1 0 453.581 4.623 50 0 JJAARO CCCC[C@H](CC)C(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921489 569672412 /nfs/dbraw/zinc/67/24/12/569672412.db2.gz TYVWPNTZWAGDOP-NRFANRHFSA-N 1 0 478.630 4.700 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](Cc2ccccc2)[NH2+][C@]12C(=O)Nc1c2cc(C)cc1C ZINC000035365941 569682652 /nfs/dbraw/zinc/68/26/52/569682652.db2.gz ACYBQSBJXJYONJ-PGKWVRKKSA-N 1 0 490.003 4.972 50 0 biogenic JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(F)cc1)=N2 ZINC000035372615 569683096 /nfs/dbraw/zinc/68/30/96/569683096.db2.gz PLGDKPAKJBWKQF-UHFFFAOYSA-N 1 0 452.599 4.828 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccccc1)=N2 ZINC000035372852 569683384 /nfs/dbraw/zinc/68/33/84/569683384.db2.gz ZDEGGDICEZFHGO-UHFFFAOYSA-N 1 0 471.026 4.734 50 0 JJAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)c1 ZINC000035397182 569687811 /nfs/dbraw/zinc/68/78/11/569687811.db2.gz JTCLWYWJRXDCMF-UHFFFAOYSA-N 1 0 485.451 4.753 50 0 JJAARO CC[N@H+](CCCNC(=O)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1)Cc1ccccc1 ZINC000035398629 569689054 /nfs/dbraw/zinc/68/90/54/569689054.db2.gz PHRYOOMQNSPFQK-UHFFFAOYSA-N 1 0 475.612 4.528 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCCc4c[nH]c5ccc(Cl)cc45)c(C)c32)CC1 ZINC000035428630 569694734 /nfs/dbraw/zinc/69/47/34/569694734.db2.gz LLOYSXUQNDUJFX-UHFFFAOYSA-N 1 0 497.068 4.639 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000035454010 569697431 /nfs/dbraw/zinc/69/74/31/569697431.db2.gz PCYHAGZLQZDANN-UHFFFAOYSA-N 1 0 455.606 4.528 50 0 JJAARO Cc1c(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000035454792 569697525 /nfs/dbraw/zinc/69/75/25/569697525.db2.gz DJVJRKRGLKXSOP-UHFFFAOYSA-N 1 0 484.691 4.763 50 0 JJAARO O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000071775275 569698164 /nfs/dbraw/zinc/69/81/64/569698164.db2.gz MYAGXTYSBVHMGG-UHFFFAOYSA-N 1 0 471.573 4.658 50 0 JJAARO CCOc1c(Br)cc(CNc2cnn(CC[NH+](CC)CC)c2)cc1Br ZINC000078564562 569706447 /nfs/dbraw/zinc/70/64/47/569706447.db2.gz JYEUOBBUJBZCCW-UHFFFAOYSA-N 1 0 474.241 4.761 50 0 JJAARO C[N@@H+]1CCCN(C(=O)c2cccc(-c3ccc(/C=C4/C(=O)Nc5ccc(Cl)cc54)o3)c2)CC1 ZINC000084727591 569709595 /nfs/dbraw/zinc/70/95/95/569709595.db2.gz KGBPLKOPSFDBOX-CJLVFECKSA-N 1 0 461.949 4.870 50 0 in-vitro JJAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651197 569713071 /nfs/dbraw/zinc/71/30/71/569713071.db2.gz XOBAVOHXMIFMAM-UHFFFAOYSA-N 1 0 491.542 4.792 50 0 JJAARO COCC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000035840678 569713709 /nfs/dbraw/zinc/71/37/09/569713709.db2.gz BUEAYCXWXJEIFH-NDEPHWFRSA-N 1 0 464.650 4.860 50 0 JJAARO COc1ccc(OC[C@@H](O)C[N@H+](CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000035840563 569713785 /nfs/dbraw/zinc/71/37/85/569713785.db2.gz ZBMDOOLBSXAQMX-VWLOTQADSA-N 1 0 454.586 4.972 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000035872066 569719120 /nfs/dbraw/zinc/71/91/20/569719120.db2.gz ZUOSWMRSYAMCFH-XNMGPUDCSA-N 1 0 494.010 4.667 50 0 JJAARO CCN1CCc2c(sc3nc(Cc4ccccc4)nc(N4CC[NH+](C5CCCC5)CC4)c23)C1 ZINC000035892927 569722496 /nfs/dbraw/zinc/72/24/96/569722496.db2.gz DZHCIEASEUBIHZ-UHFFFAOYSA-N 1 0 461.679 4.725 50 0 JJAARO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035907821 569723481 /nfs/dbraw/zinc/72/34/81/569723481.db2.gz FJFFUYYYIDLHJM-ISKFKSNPSA-N 1 0 459.556 4.731 50 0 JJAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908088 569723781 /nfs/dbraw/zinc/72/37/81/569723781.db2.gz JJZBCNJDHMORGL-JTHBVZDNSA-N 1 0 477.596 4.731 50 0 JJAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908081 569723860 /nfs/dbraw/zinc/72/38/60/569723860.db2.gz BFKXPQQAJYTDHD-ISKFKSNPSA-N 1 0 475.530 4.766 50 0 JJAARO COc1ccc(C[N@@H+]2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925693 569728985 /nfs/dbraw/zinc/72/89/85/569728985.db2.gz RYOUWKUDYWUTRD-UHFFFAOYSA-N 1 0 470.621 4.735 50 0 JJAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](CC(C)C)CC3)n2)cc1 ZINC000035927819 569730678 /nfs/dbraw/zinc/73/06/78/569730678.db2.gz IAIVWEAWDPAXPL-UHFFFAOYSA-N 1 0 454.622 4.883 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036301499 569759005 /nfs/dbraw/zinc/75/90/05/569759005.db2.gz RGGDDBLDOGHKIX-RUZDIDTESA-N 1 0 471.601 4.931 50 0 JJAARO COc1cccc(C(=O)N(CC[NH+](C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)c1 ZINC000036312679 569760223 /nfs/dbraw/zinc/76/02/23/569760223.db2.gz UNJVRHRGVKVZEH-UHFFFAOYSA-N 1 0 462.594 4.545 50 0 JJAARO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313801 569761252 /nfs/dbraw/zinc/76/12/52/569761252.db2.gz CJKYUTHMVSGJPQ-HSZRJFAPSA-N 1 0 497.636 4.514 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340273 569763844 /nfs/dbraw/zinc/76/38/44/569763844.db2.gz JSHRFHIWPVFEHS-RUZDIDTESA-N 1 0 465.041 4.835 50 0 JJAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340600 569763960 /nfs/dbraw/zinc/76/39/60/569763960.db2.gz NYMVXPZALGNTJM-MHZLTWQESA-N 1 0 488.676 4.651 50 0 JJAARO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341032 569764207 /nfs/dbraw/zinc/76/42/07/569764207.db2.gz MFHLALRIYKINJN-QHCPKHFHSA-N 1 0 455.986 4.767 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346237 569769193 /nfs/dbraw/zinc/76/91/93/569769193.db2.gz GPRGZWPODRIBEO-HSZRJFAPSA-N 1 0 455.574 4.968 50 0 JJAARO COc1ccccc1-c1nc(NCC[NH+]2CCCCC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037357873 569783622 /nfs/dbraw/zinc/78/36/22/569783622.db2.gz XEIGUFTYOYHTIT-UHFFFAOYSA-N 1 0 478.000 4.625 50 0 JJAARO Nc1c2c(nn1-c1ccc(F)cc1)nc(NCC[NH+]1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037359052 569783776 /nfs/dbraw/zinc/78/37/76/569783776.db2.gz STCXGLCPZVNJJC-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO Nc1c2c(nn1-c1ccc(F)cc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376750 569784313 /nfs/dbraw/zinc/78/43/13/569784313.db2.gz RSDUMLFHQDNMJV-UHFFFAOYSA-N 1 0 483.954 4.894 50 0 JJAARO CC(C)c1ccc(-c2nc(NCC[NH+]3CCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037376117 569784354 /nfs/dbraw/zinc/78/43/54/569784354.db2.gz UYCJVNJXTSAASI-UHFFFAOYSA-N 1 0 459.573 4.835 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2cccs2)C1 ZINC000037443821 569791172 /nfs/dbraw/zinc/79/11/72/569791172.db2.gz VFOOVPBBHGNPRT-GTNJKRJXSA-N 1 0 492.689 4.602 50 0 JJAARO O=c1occ(C[NH+]2CCCCCC2)c([O-])c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101408123 569796921 /nfs/dbraw/zinc/79/69/21/569796921.db2.gz HFNDRSCDTGRHFB-UHFFFAOYSA-N 1 0 487.644 4.629 50 0 JJAARO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)NCC[NH+]1CCCC1 ZINC000037600865 569797000 /nfs/dbraw/zinc/79/70/00/569797000.db2.gz JQDRFBHINORMFR-UHFFFAOYSA-N 1 0 477.555 4.566 50 0 JJAARO CCc1cc([C@@H](c2ccc(OC)c(OC)c2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546551 569803170 /nfs/dbraw/zinc/80/31/70/569803170.db2.gz JXSYCTXUTZSNGJ-XMMPIXPASA-N 1 0 483.634 4.900 50 0 JJAARO CCc1cc([C@H](c2ccc(OC)cc2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546554 569803181 /nfs/dbraw/zinc/80/31/81/569803181.db2.gz VJYUKCUZSWELPX-DEOSSOPVSA-N 1 0 483.634 4.900 50 0 JJAARO Cc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCCCC4)N32)c1 ZINC000101919989 569807901 /nfs/dbraw/zinc/80/79/01/569807901.db2.gz OUACGPOZZTZXDW-VWLOTQADSA-N 1 0 496.677 4.514 50 0 JJAARO Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCCCC4)N32)cc1 ZINC000101920222 569807922 /nfs/dbraw/zinc/80/79/22/569807922.db2.gz NWTYMXREERMLSA-VWLOTQADSA-N 1 0 496.677 4.514 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995539 569813403 /nfs/dbraw/zinc/81/34/03/569813403.db2.gz JNMMCKMRMILIFO-UNMCSNQZSA-N 1 0 454.640 4.581 50 0 JJAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000040059530 569815204 /nfs/dbraw/zinc/81/52/04/569815204.db2.gz NOPHRONXYFZSRV-QHCPKHFHSA-N 1 0 461.631 4.645 50 0 JJAARO CN1CCN(CC(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)CC1 ZINC000102697466 569816080 /nfs/dbraw/zinc/81/60/80/569816080.db2.gz AXNFEMWTHXCMJJ-RUZDIDTESA-N 1 0 464.635 4.788 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581784 569836412 /nfs/dbraw/zinc/83/64/12/569836412.db2.gz JAPLKVOECNCFET-GYCJOSAFSA-N 1 0 491.419 4.571 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)C1 ZINC000103722965 569837439 /nfs/dbraw/zinc/83/74/39/569837439.db2.gz VCEBYYHMPKPPLO-IEOSBIPESA-N 1 0 478.681 4.673 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983604 569848152 /nfs/dbraw/zinc/84/81/52/569848152.db2.gz OBJCWMGQDYCHLO-WOJBJXKFSA-N 1 0 479.404 4.693 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984502 569848456 /nfs/dbraw/zinc/84/84/56/569848456.db2.gz QHKWLNBGJNTFPS-FGZHOGPDSA-N 1 0 468.491 4.626 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983891 569848519 /nfs/dbraw/zinc/84/85/19/569848519.db2.gz XHCHISBQRNPHCJ-ISKFKSNPSA-N 1 0 472.944 4.645 50 0 JJAARO CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000105001981 569849043 /nfs/dbraw/zinc/84/90/43/569849043.db2.gz QHUDANASTXZVHR-NOZRDPDXSA-N 1 0 497.611 4.745 50 0 JJAARO COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@H]2C1=O ZINC000108521997 569859518 /nfs/dbraw/zinc/85/95/18/569859518.db2.gz SJKMJYHPFIFAPZ-WBADGQHESA-N 1 0 478.976 4.788 50 0 JJAARO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677269 569868620 /nfs/dbraw/zinc/86/86/20/569868620.db2.gz VSMLTCWYMIJBLE-NOZRDPDXSA-N 1 0 489.582 4.610 50 0 JJAARO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677580 569868746 /nfs/dbraw/zinc/86/87/46/569868746.db2.gz VJSJAAOSEDNDGH-UPVQGACJSA-N 1 0 477.546 4.870 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677622 569868761 /nfs/dbraw/zinc/86/87/61/569868761.db2.gz RKFUDVIFDIWMRZ-BVAGGSTKSA-N 1 0 480.992 4.784 50 0 JJAARO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)cc1 ZINC000169679074 569869461 /nfs/dbraw/zinc/86/94/61/569869461.db2.gz QDCRGHAUGJHLJS-VWNXMTODSA-N 1 0 473.539 4.958 50 0 JJAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@@H](O)COCc1ccco1 ZINC000169679469 569869790 /nfs/dbraw/zinc/86/97/90/569869790.db2.gz SEOVLNBHXLYQKU-IFMALSPDSA-N 1 0 455.599 4.957 50 0 JJAARO COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000169679663 569869809 /nfs/dbraw/zinc/86/98/09/569869809.db2.gz JZGMICWSAZNANE-IFMALSPDSA-N 1 0 461.002 4.520 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129860 570045458 /nfs/dbraw/zinc/04/54/58/570045458.db2.gz ZUOSWMRSYAMCFH-VPUSJEBWSA-N 1 0 494.010 4.667 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245257982 570060794 /nfs/dbraw/zinc/06/07/94/570060794.db2.gz JFHDDFHUZBUMGE-RBTNQOKQSA-N 1 0 480.653 4.676 50 0 JJAARO CC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327086 570065170 /nfs/dbraw/zinc/06/51/70/570065170.db2.gz ISENYQZDMULMJQ-SIKLNZKXSA-N 1 0 465.059 4.635 50 0 JJAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327463 570065315 /nfs/dbraw/zinc/06/53/15/570065315.db2.gz JJSZOWJOKYPELU-VWNXMTODSA-N 1 0 454.586 4.911 50 0 JJAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)cc1 ZINC000247711327 570068780 /nfs/dbraw/zinc/06/87/80/570068780.db2.gz JSHZKSMRJCUDTO-UHFFFAOYSA-N 1 0 488.440 4.976 50 0 JJAARO O=C(C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247747049 570069088 /nfs/dbraw/zinc/06/90/88/570069088.db2.gz SAYMTBLKFDWUPX-RPLLCQBOSA-N 1 0 490.669 4.569 50 0 JJAARO O=C(C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247747051 570069204 /nfs/dbraw/zinc/06/92/04/570069204.db2.gz SAYMTBLKFDWUPX-SHQCIBLASA-N 1 0 490.669 4.569 50 0 JJAARO CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)CC1 ZINC000247858713 570070216 /nfs/dbraw/zinc/07/02/16/570070216.db2.gz YVCZKNXALSLEIQ-ZTCOLXNVSA-N 1 0 460.062 4.742 50 0 JJAARO COc1ccc(Cn2c(CN3CCC(C(=O)NC4CCCCC4)CC3)nc3ccccc32)cc1 ZINC000247885291 570070563 /nfs/dbraw/zinc/07/05/63/570070563.db2.gz KNAOQZGXWNFEME-UHFFFAOYSA-N 1 0 460.622 4.754 50 0 JJAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000247887721 570070654 /nfs/dbraw/zinc/07/06/54/570070654.db2.gz DZAAESPYYUEWME-FZTAYZORSA-N 1 0 497.982 4.663 50 0 JJAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)cc1 ZINC000247910032 570070950 /nfs/dbraw/zinc/07/09/50/570070950.db2.gz UEJPOJZNVUVWIU-DEOSSOPVSA-N 1 0 498.627 4.630 50 0 JJAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000247992978 570072239 /nfs/dbraw/zinc/07/22/39/570072239.db2.gz LIFAAPZSWYHDRU-FQEVSTJZSA-N 1 0 498.046 4.971 50 0 JJAARO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1C ZINC000248001998 570072379 /nfs/dbraw/zinc/07/23/79/570072379.db2.gz OETHCXYFEIHOOE-XMMPIXPASA-N 1 0 473.665 4.795 50 0 JJAARO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248033199 570073038 /nfs/dbraw/zinc/07/30/38/570073038.db2.gz YFIQNTVWYPJEKX-XMMPIXPASA-N 1 0 473.665 4.795 50 0 JJAARO COc1ccc([C@@H](CNC(=O)CN2CCC[C@H]2c2cccn2C)c2c[nH]c3ccccc32)cc1 ZINC000248161788 570075760 /nfs/dbraw/zinc/07/57/60/570075760.db2.gz XVLNEXVONDMJHI-KCWPFWIISA-N 1 0 456.590 4.600 50 0 JJAARO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248163903 570075864 /nfs/dbraw/zinc/07/58/64/570075864.db2.gz NFQSQMGKUXEMMV-XMMPIXPASA-N 1 0 473.665 4.740 50 0 JJAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(c4ccccc4C(C)C)CC3)C2)nc2ccccc21 ZINC000253607486 570104334 /nfs/dbraw/zinc/10/43/34/570104334.db2.gz VCEOWCRVODJWQQ-HSZRJFAPSA-N 1 0 473.665 4.740 50 0 JJAARO Cn1nnnc1SCCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000261491946 570169998 /nfs/dbraw/zinc/16/99/98/570169998.db2.gz MAZYMMNPDVMDPY-UHFFFAOYSA-N 1 0 461.422 4.792 50 0 JJAARO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 ZINC000263586357 570171785 /nfs/dbraw/zinc/17/17/85/570171785.db2.gz SWUSAVNHNHUGGN-YGPDHOBYSA-N 1 0 452.595 4.627 50 0 JJAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000299758761 570174317 /nfs/dbraw/zinc/17/43/17/570174317.db2.gz LNBGCGJNVPHPKW-UHFFFAOYSA-N 1 0 464.009 4.796 50 0 JJAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H]([NH2+]Cc1cccc2ccccc21)CC3 ZINC000299764126 570175070 /nfs/dbraw/zinc/17/50/70/570175070.db2.gz SWULNGQSIJNEBZ-HXUWFJFHSA-N 1 0 452.583 4.702 50 0 JJAARO COc1cccc(NC(=O)CC[C@H]2C[N@H+](CC(C)C)CC[C@H]2N2CCN(c3ccccc3F)CC2)c1 ZINC000299767292 570175335 /nfs/dbraw/zinc/17/53/35/570175335.db2.gz QNWFABNBLOZBIB-WNCULLNHSA-N 1 0 496.671 4.722 50 0 JJAARO Cc1cccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)c1 ZINC000299784840 570176640 /nfs/dbraw/zinc/17/66/40/570176640.db2.gz ISLAQSRZCBMPEB-WIOPSUGQSA-N 1 0 456.030 4.590 50 0 JJAARO C[C@@H]([NH2+]C1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cnn(-c2ccccc2)c1 ZINC000299798625 570177410 /nfs/dbraw/zinc/17/74/10/570177410.db2.gz TWIGJIGGIWYLDI-OAQYLSRUSA-N 1 0 466.589 4.839 50 0 JJAARO Cc1cc(F)ccc1NC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000002960475 194181650 /nfs/dbraw/zinc/18/16/50/194181650.db2.gz CMNQDWKQHLSJCT-UHFFFAOYSA-N 1 0 457.553 4.961 50 0 JJAARO Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCCCC2)cc1C ZINC000002973601 194189794 /nfs/dbraw/zinc/18/97/94/194189794.db2.gz NFTHRRMLFWIHQO-UHFFFAOYSA-N 1 0 464.635 4.620 50 0 JJAARO Cc1nnc(Sc2cc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)c3ccccc3n2)s1 ZINC000003027403 194211664 /nfs/dbraw/zinc/21/16/64/194211664.db2.gz YMRQJQQOGHFIDE-UHFFFAOYSA-N 1 0 463.632 4.798 50 0 JJAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[NH+]4CCCCCC4)cc32)c1 ZINC000003638735 194346594 /nfs/dbraw/zinc/34/65/94/194346594.db2.gz GJFMINLAPYJGTJ-UHFFFAOYSA-N 1 0 465.663 4.938 50 0 JJAARO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1 ZINC000003810247 194361614 /nfs/dbraw/zinc/36/16/14/194361614.db2.gz JARNORYOPMINDY-UHFFFAOYSA-N 1 0 485.628 4.897 50 0 in-vitro JJAARO Cc1c(C(=O)NCCC[NH+]2CCCCCC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000009406322 194746757 /nfs/dbraw/zinc/74/67/57/194746757.db2.gz ZORZGZPBNNBFTA-UHFFFAOYSA-N 1 0 460.622 4.903 50 0 JJAARO Cc1c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405703 194745438 /nfs/dbraw/zinc/74/54/38/194745438.db2.gz NVXFUBYYRVGIPT-UHFFFAOYSA-N 1 0 464.635 4.977 50 0 JJAARO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)cc2)CC1 ZINC000009738322 194932105 /nfs/dbraw/zinc/93/21/05/194932105.db2.gz QNBYSXCVTSUKOM-UHFFFAOYSA-N 1 0 451.592 4.714 50 0 JJAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000009909700 195020707 /nfs/dbraw/zinc/02/07/07/195020707.db2.gz XXQWFDLBRBXEHK-UHFFFAOYSA-N 1 0 460.559 4.642 50 0 JJAARO Cc1ccc(-c2csc3ncn(CCC(=O)NC[C@@H](c4ccco4)[NH+]4CCCCC4)c(=O)c23)cc1 ZINC000009913291 195022386 /nfs/dbraw/zinc/02/23/86/195022386.db2.gz SRMPFMFGUGIILS-QFIPXVFZSA-N 1 0 490.629 4.760 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2C[NH+](C)C)cc1OC ZINC000009917297 195023114 /nfs/dbraw/zinc/02/31/14/195023114.db2.gz KVTAMDSFOVTMLE-UHFFFAOYSA-N 1 0 470.573 4.548 50 0 JJAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000009942082 195029702 /nfs/dbraw/zinc/02/97/02/195029702.db2.gz RWGITMMMROXTCC-UHFFFAOYSA-N 1 0 466.582 4.710 50 0 JJAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000012703518 195091841 /nfs/dbraw/zinc/09/18/41/195091841.db2.gz YBXLUHQTGIENPG-UHFFFAOYSA-N 1 0 451.533 4.927 50 0 JJAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012797809 195137170 /nfs/dbraw/zinc/13/71/70/195137170.db2.gz ODLXTEFVUCMDTB-JYFHCDHNSA-N 1 0 486.682 4.524 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+]1CCCC1 ZINC000012801418 195139285 /nfs/dbraw/zinc/13/92/85/195139285.db2.gz FSCMVUFEMZIDSB-GGAORHGYSA-N 1 0 492.447 4.710 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)[NH+]1CCCC1 ZINC000012820354 195149126 /nfs/dbraw/zinc/14/91/26/195149126.db2.gz NUIBUIUTTYPYHC-JOCHJYFZSA-N 1 0 472.676 4.896 50 0 JJAARO Cc1cc(=O)c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882774 195169500 /nfs/dbraw/zinc/16/95/00/195169500.db2.gz ZMCLAKRFLJWBKS-HOYKHHGWSA-N 1 0 484.522 4.515 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)[NH2+][C@]12C(=O)Nc1c2cc(C)cc1C ZINC000012890202 195172279 /nfs/dbraw/zinc/17/22/79/195172279.db2.gz YPDTVIRAQMJPKU-MVIPISOYSA-N 1 0 455.986 4.776 50 0 biogenic JJAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2C(C)C)CC1 ZINC000020608870 195182295 /nfs/dbraw/zinc/18/22/95/195182295.db2.gz XDMJHVWFUGGLSS-UHFFFAOYSA-N 1 0 484.442 4.770 50 0 JJAARO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NC3CCCCCCC3)CC23CCCCC3)cc1 ZINC000020688014 195205463 /nfs/dbraw/zinc/20/54/63/195205463.db2.gz UIOLFMLOPQHRCX-UHFFFAOYSA-N 1 0 484.754 4.919 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)C1 ZINC000020726765 195207777 /nfs/dbraw/zinc/20/77/77/195207777.db2.gz OFVOCCGLUVDJGB-REWPVUQQSA-N 1 0 463.647 4.651 50 0 JJAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CO4)cc1 ZINC000020762875 195218777 /nfs/dbraw/zinc/21/87/77/195218777.db2.gz DUNRUTJASQTNJK-SQJMNOBHSA-N 1 0 460.574 4.885 50 0 biogenic JJAARO C[N@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000020902842 195242030 /nfs/dbraw/zinc/24/20/30/195242030.db2.gz PKOJSLXHXFNGRH-SSEXGKCCSA-N 1 0 486.660 4.827 50 0 JJAARO Cn1cnnc1[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000020906418 195245296 /nfs/dbraw/zinc/24/52/96/195245296.db2.gz QOLHAUPJNMDBOZ-KRWDZBQOSA-N 1 0 450.949 4.840 50 0 JJAARO CC[C@H](C)[N@H+](CCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1)Cc1cccs1 ZINC000020919621 195247154 /nfs/dbraw/zinc/24/71/54/195247154.db2.gz XBLMAVRBTWSZMV-KRWDZBQOSA-N 1 0 473.664 4.712 50 0 JJAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)CC1 ZINC000020941525 195256144 /nfs/dbraw/zinc/25/61/44/195256144.db2.gz SNSWWFRJXTWNAQ-UHFFFAOYSA-N 1 0 460.622 5.000 50 0 JJAARO CCCC[N@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000020925787 195248974 /nfs/dbraw/zinc/24/89/74/195248974.db2.gz LQMNBWPNCOQIMT-UHFFFAOYSA-N 1 0 453.558 4.806 50 0 JJAARO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C/C=C/c3ccccc3)C2)cc1 ZINC000020999626 195265411 /nfs/dbraw/zinc/26/54/11/195265411.db2.gz UUBDXTPEPMLQCS-PJLXGWBQSA-N 1 0 468.645 4.767 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021364677 195299879 /nfs/dbraw/zinc/29/98/79/195299879.db2.gz PGDOBGSTLBMSLB-HHHXNRCGSA-N 1 0 468.642 4.534 50 0 JJAARO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)c(C)c3)c[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000021522493 195303621 /nfs/dbraw/zinc/30/36/21/195303621.db2.gz WWJQGBHWGFXLCD-UHFFFAOYSA-N 1 0 476.573 4.879 50 0 JJAARO CCOC(=O)c1cc(NC(=O)N(Cc2ccccc2Cl)C2CC[NH+](C)CC2)c(C)nc1C ZINC000021523103 195303698 /nfs/dbraw/zinc/30/36/98/195303698.db2.gz FIDWTDYNLBMSHG-UHFFFAOYSA-N 1 0 458.990 4.657 50 0 JJAARO CCC[NH+](CCC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526000 195304672 /nfs/dbraw/zinc/30/46/72/195304672.db2.gz FWWPZXONHJJACF-AREMUKBSSA-N 1 0 472.699 4.878 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526712 195305060 /nfs/dbraw/zinc/30/50/60/195305060.db2.gz LDQYQRSSPKCHRS-MUUNZHRXSA-N 1 0 482.669 4.942 50 0 JJAARO C[N@H+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526727 195305509 /nfs/dbraw/zinc/30/55/09/195305509.db2.gz OHXFAQDBVLANHY-HHHXNRCGSA-N 1 0 468.642 4.552 50 0 JJAARO CC(C)C[NH+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)CC(C)C ZINC000021526732 195305555 /nfs/dbraw/zinc/30/55/55/195305555.db2.gz DKCKCQAFFBXNEY-MUUNZHRXSA-N 1 0 484.685 4.902 50 0 JJAARO Cc1nn2c(ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1cccc(C)c1 ZINC000021914486 195331822 /nfs/dbraw/zinc/33/18/22/195331822.db2.gz PLDMYMYSSIRCLF-UHFFFAOYSA-N 1 0 453.590 4.716 50 0 JJAARO COc1ccc(Nc2nc(NCCC[N@H+](Cc3ccccc3)C(C)C)nc3c2cnn3C)cc1 ZINC000021928743 195334998 /nfs/dbraw/zinc/33/49/98/195334998.db2.gz WUKXUCVZRYDEHW-UHFFFAOYSA-N 1 0 459.598 4.828 50 0 JJAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058169937 195370649 /nfs/dbraw/zinc/37/06/49/195370649.db2.gz FBRQONSYJHAWGY-UHFFFAOYSA-N 1 0 479.628 4.993 50 0 JJAARO Cc1ccc2oc(C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)cc(=O)c2c1 ZINC000058176672 195372008 /nfs/dbraw/zinc/37/20/08/195372008.db2.gz WQNNPGLJLBCPBV-UHFFFAOYSA-N 1 0 453.542 4.676 50 0 JJAARO CC[NH+]1CCC(N(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)c2ccccc2)CC1 ZINC000058202629 195373515 /nfs/dbraw/zinc/37/35/15/195373515.db2.gz UKIDARSTQRQMBH-LJQANCHMSA-N 1 0 460.544 4.834 50 0 JJAARO CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000058280465 195375875 /nfs/dbraw/zinc/37/58/75/195375875.db2.gz OPOVXDHKYBKFHI-UHFFFAOYSA-N 1 0 455.002 4.859 50 0 JJAARO COc1ccccc1C[NH+]1CCC(c2nc(C)ccc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000096280769 130026282 /nfs/dbraw/zinc/02/62/82/130026282.db2.gz HMBCFEDXZOZIPF-UHFFFAOYSA-N 1 0 455.602 4.977 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000103581787 130646804 /nfs/dbraw/zinc/64/68/04/130646804.db2.gz JAPLKVOECNCFET-FYSMJZIKSA-N 1 0 491.419 4.571 50 0 JJAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H](O)COCc1ccco1 ZINC000036149182 519717679 /nfs/dbraw/zinc/71/76/79/519717679.db2.gz UFFDCPSPFKPSSE-JOCHJYFZSA-N 1 0 453.583 4.571 50 0 JJAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000014538965 519719571 /nfs/dbraw/zinc/71/95/71/519719571.db2.gz QCPPRRKAPWZPAL-QFIPXVFZSA-N 1 0 487.648 4.839 50 0 JJAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307085 519773855 /nfs/dbraw/zinc/77/38/55/519773855.db2.gz VMTAMEVBMHPTFF-JOCHJYFZSA-N 1 0 453.558 4.769 50 0 JJAARO CC(C)c1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014990872 519830739 /nfs/dbraw/zinc/83/07/39/519830739.db2.gz BLJMIIBEUGFJON-UHFFFAOYSA-N 1 0 464.639 4.605 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(Br)cc4F)c(C)c32)CC1 ZINC000033048440 519861285 /nfs/dbraw/zinc/86/12/85/519861285.db2.gz AEDKALLJAYOCNJ-UHFFFAOYSA-N 1 0 492.418 4.686 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146087 519881204 /nfs/dbraw/zinc/88/12/04/519881204.db2.gz OBJCWMGQDYCHLO-UXHICEINSA-N 1 0 479.404 4.693 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036304289 520154362 /nfs/dbraw/zinc/15/43/62/520154362.db2.gz FGXWTJJYGOUOOT-JOCHJYFZSA-N 1 0 471.548 4.861 50 0 JJAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)NCCCc4ccccc4)c4ccccc34)o2)CC1 ZINC000033129369 521026990 /nfs/dbraw/zinc/02/69/90/521026990.db2.gz PEHCMKXLHYUTPC-UHFFFAOYSA-N 1 0 471.605 4.672 50 0 JJAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)Nc4ccc(F)c(F)c4)c4ccccc34)o2)CC1 ZINC000033129388 521028407 /nfs/dbraw/zinc/02/84/07/521028407.db2.gz GOZYCGBVKVQGSA-UHFFFAOYSA-N 1 0 465.504 4.840 50 0 JJAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014733329 521527303 /nfs/dbraw/zinc/52/73/03/521527303.db2.gz PDRXJAPPQYSTRM-UHFFFAOYSA-N 1 0 478.980 4.814 50 0 JJAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3C(F)(F)F)CC2)C1=O ZINC000014732602 521527640 /nfs/dbraw/zinc/52/76/40/521527640.db2.gz JCNHNXNSSQHAMI-UHFFFAOYSA-N 1 0 459.512 4.567 50 0 JJAARO CCCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c2)s1 ZINC000033022785 521558626 /nfs/dbraw/zinc/55/86/26/521558626.db2.gz UGYWRNHPGKIKNM-UHFFFAOYSA-N 1 0 491.661 4.693 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000065008771 521658679 /nfs/dbraw/zinc/65/86/79/521658679.db2.gz GXPKVPPDKBQFJI-SFHVURJKSA-N 1 0 479.071 4.540 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036305872 521678467 /nfs/dbraw/zinc/67/84/67/521678467.db2.gz QRBZJDYISNHMDO-QFIPXVFZSA-N 1 0 467.610 4.886 50 0 JJAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NCC(C)C)c3)n2)CC1 ZINC000036065153 521696382 /nfs/dbraw/zinc/69/63/82/521696382.db2.gz YZZHLQNNCSLTDF-UHFFFAOYSA-N 1 0 469.699 4.594 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)c(C)c2)CC1 ZINC000022760459 521698389 /nfs/dbraw/zinc/69/83/89/521698389.db2.gz AXBOVZMWKWLLNI-UHFFFAOYSA-N 1 0 451.640 4.626 50 0 JJAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(Cl)cc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000036068898 521788942 /nfs/dbraw/zinc/78/89/42/521788942.db2.gz YCIZPYBGRBBDMT-UHFFFAOYSA-N 1 0 494.945 4.841 50 0 JJAARO COc1cc(/C=C/C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ccc1OCc1c(C)noc1C ZINC000040090766 521932717 /nfs/dbraw/zinc/93/27/17/521932717.db2.gz PDXBTUJUELDPRJ-PVOYRIJTSA-N 1 0 469.626 4.765 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)c1ccccc1 ZINC000016599785 522080683 /nfs/dbraw/zinc/08/06/83/522080683.db2.gz DMJDCABDUOKTTL-HHHXNRCGSA-N 1 0 476.584 4.574 50 0 JJAARO COC(=O)c1ccccc1NC(=O)c1c(NC(=O)C[NH2+][C@H](C)c2ccccc2)sc2c1CCC2 ZINC000016192946 522282313 /nfs/dbraw/zinc/28/23/13/522282313.db2.gz LWCYEDGSFOEPEM-MRXNPFEDSA-N 1 0 477.586 4.565 50 0 JJAARO COc1cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH+](C)C)cc(OC)c1OC ZINC000048302760 522314038 /nfs/dbraw/zinc/31/40/38/522314038.db2.gz UHXUJQYTKRJHLD-UHFFFAOYSA-N 1 0 483.436 4.931 50 0 JJAARO COc1cc(Cl)ccc1NC(=S)NCCC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000004791890 522557040 /nfs/dbraw/zinc/55/70/40/522557040.db2.gz JHPLLTUMFAKUHD-UHFFFAOYSA-N 1 0 467.466 4.809 50 0 JJAARO COc1cc(NC(=O)c2cccs2)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000008965917 522727369 /nfs/dbraw/zinc/72/73/69/522727369.db2.gz BBKUZBXYJOCUNF-UHFFFAOYSA-N 1 0 493.629 4.934 50 0 JJAARO CC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310122 522807695 /nfs/dbraw/zinc/80/76/95/522807695.db2.gz YLXDLMZVCJHGDX-UPVQGACJSA-N 1 0 472.695 4.989 50 0 JJAARO COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCC(C)C ZINC000016741920 522969709 /nfs/dbraw/zinc/96/97/09/522969709.db2.gz KDRUKAVOHGTGSA-SANMLTNESA-N 1 0 492.616 4.950 50 0 JJAARO COc1cc2c(c(OCc3ccccc3)c1OC)CC[N@H+](C)[C@H]2Cc1ccc(OC(C)=O)cc1 ZINC000004566004 522992680 /nfs/dbraw/zinc/99/26/80/522992680.db2.gz OETZPYPBIYXPFK-VWLOTQADSA-N 1 0 461.558 4.980 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168860 523170762 /nfs/dbraw/zinc/17/07/62/523170762.db2.gz YNUDKDOMOIZYGL-FGZHOGPDSA-N 1 0 467.683 4.615 50 0 JJAARO COc1ccc(-c2nc(CN3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)c(C)o2)cc1OC ZINC000020255191 523203940 /nfs/dbraw/zinc/20/39/40/523203940.db2.gz QAPRBIHGJLGHPJ-UHFFFAOYSA-N 1 0 451.611 4.610 50 0 JJAARO COc1ccc(-c2nn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=S)n2C)cc1 ZINC000019596664 523248222 /nfs/dbraw/zinc/24/82/22/523248222.db2.gz ADNLEOSIQSMVKA-UHFFFAOYSA-N 1 0 485.657 4.991 50 0 JJAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([N@H+](C)Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014744122 523345023 /nfs/dbraw/zinc/34/50/23/523345023.db2.gz BCGNMVLVASCJLL-JOCHJYFZSA-N 1 0 485.657 4.805 50 0 JJAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@H]([N@H+](C)Cc1nc(-c3ccccc3)cs1)C2 ZINC000014749786 523547060 /nfs/dbraw/zinc/54/70/60/523547060.db2.gz MJLZXXHPAWRIOD-QHCPKHFHSA-N 1 0 497.668 4.731 50 0 JJAARO CN(c1ccccc1)c1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000014883059 523653741 /nfs/dbraw/zinc/65/37/41/523653741.db2.gz MRHLIWDEJIBGFB-VWLOTQADSA-N 1 0 459.590 4.991 50 0 JJAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O ZINC000014746292 523801110 /nfs/dbraw/zinc/80/11/10/523801110.db2.gz KMBRNQSSBUPYOG-UHFFFAOYSA-N 1 0 495.623 4.703 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)C2)s1 ZINC000033078457 523848634 /nfs/dbraw/zinc/84/86/34/523848634.db2.gz YKYXMOHPTZTCKW-OAQYLSRUSA-N 1 0 495.668 4.638 50 0 JJAARO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccco3)C2)cc1 ZINC000036146649 523880056 /nfs/dbraw/zinc/88/00/56/523880056.db2.gz DGCCVKRRKORTGX-WIOPSUGQSA-N 1 0 484.980 4.515 50 0 JJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2c[nH]c4ccccc24)CC3)cc1 ZINC000014732569 523945436 /nfs/dbraw/zinc/94/54/36/523945436.db2.gz FJARWGRNZSFOQH-UHFFFAOYSA-N 1 0 488.632 4.674 50 0 JJAARO CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012202531 523949744 /nfs/dbraw/zinc/94/97/44/523949744.db2.gz KHGILFYXTCKREI-HHHXNRCGSA-N 1 0 455.602 4.612 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037571138 524023918 /nfs/dbraw/zinc/02/39/18/524023918.db2.gz IPYXXNGSNNASEX-UHFFFAOYSA-N 1 0 472.557 4.833 50 0 JJAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NC2CCCC2)C1 ZINC000012279368 524228809 /nfs/dbraw/zinc/22/88/09/524228809.db2.gz FZDXBKOBMXIKQM-LJQANCHMSA-N 1 0 450.579 4.752 50 0 JJAARO C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccco2)C1 ZINC000014994529 524230863 /nfs/dbraw/zinc/23/08/63/524230863.db2.gz CQIGFPWGNLYHHF-HXUWFJFHSA-N 1 0 476.573 4.945 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000021880360 524347635 /nfs/dbraw/zinc/34/76/35/524347635.db2.gz GKYBJMYHANPYCX-GOSISDBHSA-N 1 0 481.666 4.694 50 0 JJAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCCN1CC[NH+](Cc3ccccc3)CC1)c2-n1cccc1 ZINC000020465947 524349622 /nfs/dbraw/zinc/34/96/22/524349622.db2.gz YLBMPPZNEBRJDE-UHFFFAOYSA-N 1 0 487.673 4.642 50 0 JJAARO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CC[NH+](Cc3c(C)ccc4ccccc43)CC2)n1 ZINC000020503187 524350415 /nfs/dbraw/zinc/35/04/15/524350415.db2.gz AJWZJZWNAWMLFZ-UHFFFAOYSA-N 1 0 450.590 4.987 50 0 JJAARO COc1ccccc1C[NH+]1CCC(c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000012454302 524450437 /nfs/dbraw/zinc/45/04/37/524450437.db2.gz DQGBLJYKPPNUJE-DEOSSOPVSA-N 1 0 478.662 4.986 50 0 JJAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)s1 ZINC000014961738 524475371 /nfs/dbraw/zinc/47/53/71/524475371.db2.gz OEMKBTBXNFBMBF-QHCPKHFHSA-N 1 0 465.667 4.840 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNc3ncnc4onc(-c5ccc(F)cc5)c43)C[C@@H]2C)c1 ZINC000008595295 524556254 /nfs/dbraw/zinc/55/62/54/524556254.db2.gz JBWBKFUPVIDELA-IBGZPJMESA-N 1 0 460.557 4.745 50 0 JJAARO C[C@@H]1CCc2nc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)sc2C1 ZINC000019831818 524732373 /nfs/dbraw/zinc/73/23/73/524732373.db2.gz FGFIICWMBVSEEM-HXUWFJFHSA-N 1 0 460.647 4.614 50 0 JJAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020115205 524927441 /nfs/dbraw/zinc/92/74/41/524927441.db2.gz XCQALVXTGMWSAC-XMMPIXPASA-N 1 0 496.652 4.587 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304609 524989249 /nfs/dbraw/zinc/98/92/49/524989249.db2.gz XENPGDFKKDCFEM-XMMPIXPASA-N 1 0 479.621 4.980 50 0 JJAARO C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021857238 525197929 /nfs/dbraw/zinc/19/79/29/525197929.db2.gz YPJBLSVPLKSOML-SSEXGKCCSA-N 1 0 484.644 4.579 50 0 JJAARO COc1ccc([C@@H]2c3cc(OC)c(OC)cc3Cc3c4cc(OC)c(OC)cc4cc[n+]32)cc1 ZINC000009236188 525282104 /nfs/dbraw/zinc/28/21/04/525282104.db2.gz ONOCPSVMUPHQSP-MUUNZHRXSA-N 1 0 458.534 4.712 50 0 biogenic JJAARO Cc1ccc(Oc2nccnc2N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000033141928 525480221 /nfs/dbraw/zinc/48/02/21/525480221.db2.gz BXVYIZHXJIQXDC-UHFFFAOYSA-N 1 0 485.632 4.575 50 0 JJAARO Cc1c(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cnn1C ZINC000012455721 525705653 /nfs/dbraw/zinc/70/56/53/525705653.db2.gz JFGYNGNWJLXUOU-HSZRJFAPSA-N 1 0 454.615 4.525 50 0 JJAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@H](O)COc3ccccc3)n2)cc1Cl ZINC000036147830 525877613 /nfs/dbraw/zinc/87/76/13/525877613.db2.gz KLZZREUGUUWZRO-FQEVSTJZSA-N 1 0 467.953 4.776 50 0 JJAARO Cc1c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008946 525885082 /nfs/dbraw/zinc/88/50/82/525885082.db2.gz WIPXMSKPSSJDAD-UHFFFAOYSA-N 1 0 493.098 4.788 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146704 525922857 /nfs/dbraw/zinc/92/28/57/525922857.db2.gz RKFUDVIFDIWMRZ-OZXSUGGESA-N 1 0 480.992 4.784 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146343 525925311 /nfs/dbraw/zinc/92/53/11/525925311.db2.gz CAZSQENHHXTWGH-GMAHTHKFSA-N 1 0 461.002 4.520 50 0 JJAARO CSc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)cc1 ZINC000012326275 525990826 /nfs/dbraw/zinc/99/08/26/525990826.db2.gz XHGFLMSSDIQDKW-UHFFFAOYSA-N 1 0 482.671 4.827 50 0 JJAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc(C)cc3)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014991703 526072302 /nfs/dbraw/zinc/07/23/02/526072302.db2.gz HDDPILXILREPDM-NDEPHWFRSA-N 1 0 457.618 4.994 50 0 JJAARO COc1cccc(C[C@H](C2CC[NH+](Cc3ccc4nsnc4c3)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014994305 526079537 /nfs/dbraw/zinc/07/95/37/526079537.db2.gz HRZNOQJMOXUASE-RUZDIDTESA-N 1 0 490.629 4.888 50 0 JJAARO C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccccc1C(F)(F)F ZINC000036082677 526090648 /nfs/dbraw/zinc/09/06/48/526090648.db2.gz PUSSATPMZQPIGS-SFHVURJKSA-N 1 0 474.527 4.748 50 0 JJAARO CSc1ccccc1C(=O)N1CCOc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2C1 ZINC000014973626 526150047 /nfs/dbraw/zinc/15/00/47/526150047.db2.gz JXYMWXXYGHAOPY-UHFFFAOYSA-N 1 0 473.642 4.766 50 0 JJAARO Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2ccc(C[N@H+](C)Cc3cccs3)cc2)n(C)n1 ZINC000012279804 526243569 /nfs/dbraw/zinc/24/35/69/526243569.db2.gz XJFWXESSSVNBTJ-JOCHJYFZSA-N 1 0 466.651 4.886 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146691 526284981 /nfs/dbraw/zinc/28/49/81/526284981.db2.gz XHCHISBQRNPHCJ-UPVQGACJSA-N 1 0 472.944 4.645 50 0 JJAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccncc4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000014984134 526345159 /nfs/dbraw/zinc/34/51/59/526345159.db2.gz SMRSIBDZFUBWRU-HSZRJFAPSA-N 1 0 467.614 4.663 50 0 JJAARO Cc1n[nH]c(C)c1CC[NH2+]C1CCN(c2cccc(NC(=O)CCCc3ccccc3)c2)CC1 ZINC000014884611 526493717 /nfs/dbraw/zinc/49/37/17/526493717.db2.gz QZWICRXUGDXBMU-UHFFFAOYSA-N 1 0 459.638 4.789 50 0 JJAARO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000014881649 526564834 /nfs/dbraw/zinc/56/48/34/526564834.db2.gz CFMHPEIECOBCCU-VIZCGCQYSA-N 1 0 469.629 4.592 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000065006589 526568028 /nfs/dbraw/zinc/56/80/28/526568028.db2.gz OYSFJWNSADZRMG-HXUWFJFHSA-N 1 0 482.694 4.517 50 0 JJAARO O=C(CCc1nc2ccccc2s1)NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014981431 526654978 /nfs/dbraw/zinc/65/49/78/526654978.db2.gz CVGQSUHWESBASQ-DEOSSOPVSA-N 1 0 457.599 4.981 50 0 JJAARO O=C(C[NH+]1CCCCC1)N(Cc1ccncc1)Cc1cccc(OCCc2ccc(F)cc2)c1 ZINC000014889161 526737504 /nfs/dbraw/zinc/73/75/04/526737504.db2.gz FWFVENOVHLEYIA-UHFFFAOYSA-N 1 0 461.581 4.857 50 0 JJAARO Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000046141353 526864112 /nfs/dbraw/zinc/86/41/12/526864112.db2.gz NXCCWDQHBBPXLJ-HNNXBMFYSA-N 1 0 495.070 4.827 50 0 JJAARO Cc1sc2nc(CSc3ccccc3)nc(N3CCN(CC[NH+]4CCCC4)CC3)c2c1C ZINC000022793631 526893012 /nfs/dbraw/zinc/89/30/12/526893012.db2.gz SBBJBBWOUALMRH-UHFFFAOYSA-N 1 0 467.708 4.818 50 0 JJAARO Cc1nc(N2CCC[C@@H]([N@@H+]3CC[C@H](c4ccccc4Cl)C3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000039557610 526965808 /nfs/dbraw/zinc/96/58/08/526965808.db2.gz GPVWDBHYSJBPDU-VQTJNVASSA-N 1 0 499.080 4.844 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccccc1OC(F)(F)F ZINC000014958711 526989352 /nfs/dbraw/zinc/98/93/52/526989352.db2.gz WCHYVGVBKGETSZ-INIZCTEOSA-N 1 0 470.875 4.638 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1nc(-c2ccccc2)cs1 ZINC000012279481 526990061 /nfs/dbraw/zinc/99/00/61/526990061.db2.gz NLSIWXWGVDKCTC-SFHVURJKSA-N 1 0 469.994 4.863 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1nc(-c2ccccc2)cs1 ZINC000012279482 526992948 /nfs/dbraw/zinc/99/29/48/526992948.db2.gz NLSIWXWGVDKCTC-GOSISDBHSA-N 1 0 469.994 4.863 50 0 JJAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000022792123 527017733 /nfs/dbraw/zinc/01/77/33/527017733.db2.gz DWFVYKKSQBKBJI-XMMPIXPASA-N 1 0 493.529 4.745 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3ccsc3)CC2)N1CCc1ccccc1 ZINC000014742853 527037617 /nfs/dbraw/zinc/03/76/17/527037617.db2.gz LZXFYYNUVQTQOM-UHFFFAOYSA-N 1 0 459.615 4.790 50 0 JJAARO Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022804530 527055600 /nfs/dbraw/zinc/05/56/00/527055600.db2.gz RGMOWANXMIHYSD-UHFFFAOYSA-N 1 0 474.008 4.797 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997614 527069209 /nfs/dbraw/zinc/06/92/09/527069209.db2.gz MYHCZWQXEFZLIJ-SMDDNHRTSA-N 1 0 490.576 4.897 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C4)cs1 ZINC000014988254 527070015 /nfs/dbraw/zinc/07/00/15/527070015.db2.gz FINUADFHLJLHCB-WFASDCNBSA-N 1 0 472.586 4.758 50 0 JJAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)C(=O)N1C1CCCC1 ZINC000014988639 527084920 /nfs/dbraw/zinc/08/49/20/527084920.db2.gz PIDMGFKVKQHMEX-LJAQVGFWSA-N 1 0 488.607 4.995 50 0 JJAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3csc(-c4cccs4)n3)CC2)cc1)c1cnccn1 ZINC000012470220 527221563 /nfs/dbraw/zinc/22/15/63/527221563.db2.gz QYJQCBGJNLCZAR-UHFFFAOYSA-N 1 0 476.631 4.673 50 0 JJAARO O=C(Cc1ccc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)CC2)cc1)NCc1ccccc1 ZINC000014992839 527235890 /nfs/dbraw/zinc/23/58/90/527235890.db2.gz IPJOWCFFHGRBQZ-UHFFFAOYSA-N 1 0 497.618 4.833 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014741993 527272869 /nfs/dbraw/zinc/27/28/69/527272869.db2.gz UZMRAPFUFBTMDK-IZZNHLLZSA-N 1 0 485.603 4.708 50 0 JJAARO O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)C[C@H]([NH2+]Cc1ccccc1Cl)CC3 ZINC000020453303 527460723 /nfs/dbraw/zinc/46/07/23/527460723.db2.gz SYFOXKOQBVPZKA-GOSISDBHSA-N 1 0 453.970 4.946 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(ccn(Cc3ccccc3)c2=O)s1 ZINC000065119219 527530821 /nfs/dbraw/zinc/53/08/21/527530821.db2.gz YJQCIFLWACCHFY-UHFFFAOYSA-N 1 0 457.599 4.506 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515289 527531750 /nfs/dbraw/zinc/53/17/50/527531750.db2.gz BPRAABAQMWJFAU-JGCGQSQUSA-N 1 0 471.022 4.776 50 0 JJAARO O=C(NCC1C2CC3CC(C2)CC1C3)c1ccc(C[NH+]2CCC(c3ccccc3)CC2)[nH]c1=O ZINC000014985211 527588263 /nfs/dbraw/zinc/58/82/63/527588263.db2.gz DONQIGSKFGMDGE-UHFFFAOYSA-N 1 0 459.634 4.557 50 0 JJAARO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC(C)=NC2=N3)cc1 ZINC000000638084 553722173 /nfs/dbraw/zinc/72/21/73/553722173.db2.gz VOXLWZDTUPMREE-CLJLJLNGSA-N 1 0 452.514 4.898 50 0 JJAARO C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000002050027 554010150 /nfs/dbraw/zinc/01/01/50/554010150.db2.gz ZLCACGSPGUYXIP-OKILXGFUSA-N 1 0 458.791 4.808 50 0 JJAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000002095598 554039935 /nfs/dbraw/zinc/03/99/35/554039935.db2.gz ULDVIANUJMKCJH-QKLQHJQFSA-N 1 0 482.411 4.743 50 0 biogenic JJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000003209293 554431407 /nfs/dbraw/zinc/43/14/07/554431407.db2.gz CLEJNLVRUMTEIS-UHFFFAOYSA-N 1 0 487.629 4.925 50 0 JJAARO Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(C)c(C)c4)c3C3CC[NH2+]CC3)CC2)c(C)c1 ZINC000008595032 554602768 /nfs/dbraw/zinc/60/27/68/554602768.db2.gz GWMOITZLEGNGLP-UHFFFAOYSA-N 1 0 471.649 4.535 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCc3ccc(OC)cc3)c(=O)cc21 ZINC000008740105 554642044 /nfs/dbraw/zinc/64/20/44/554642044.db2.gz PEKLFTYWSCSSPK-QHCPKHFHSA-N 1 0 490.600 4.610 50 0 biogenic JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N[C@H](C)CCc3ccco3)c(=O)cc21 ZINC000008762073 554661610 /nfs/dbraw/zinc/66/16/10/554661610.db2.gz YJTLNOGAEPUTRY-VGSWGCGISA-N 1 0 478.589 4.973 50 0 biogenic JJAARO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC000008844343 554741313 /nfs/dbraw/zinc/74/13/13/554741313.db2.gz BJBSQKXFANWNEW-UHFFFAOYSA-N 1 0 493.611 4.601 50 0 JJAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc(Br)c1OC ZINC000008923435 554820630 /nfs/dbraw/zinc/82/06/30/554820630.db2.gz WSUZAAXSJQWSDN-GOSISDBHSA-N 1 0 466.401 4.723 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4cccc(F)c4)c2)N3)C1 ZINC000008928010 554825589 /nfs/dbraw/zinc/82/55/89/554825589.db2.gz OZPXNBIAPOZGQZ-NRFANRHFSA-N 1 0 451.523 4.913 50 0 JJAARO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH2+]C(C)C)cc1OCC ZINC000009033708 554867946 /nfs/dbraw/zinc/86/79/46/554867946.db2.gz ROEVESWSJVWGHK-XMMPIXPASA-N 1 0 498.664 4.948 50 0 biogenic JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[S@](=O)c2ccccc2Cl)o1 ZINC000009115545 554902290 /nfs/dbraw/zinc/90/22/90/554902290.db2.gz MFYQOZNRIOKVMD-WJOKGBTCSA-N 1 0 456.995 4.635 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000009151307 554938207 /nfs/dbraw/zinc/93/82/07/554938207.db2.gz KZJLIQHFVYKQAJ-UHFFFAOYSA-N 1 0 489.620 4.737 50 0 JJAARO C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)ccc2N1C(=O)C1CCC1 ZINC000009152553 554940687 /nfs/dbraw/zinc/94/06/87/554940687.db2.gz NRMWTNWUGGHHSF-HXUWFJFHSA-N 1 0 481.662 4.797 50 0 JJAARO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1 ZINC000009223623 554993777 /nfs/dbraw/zinc/99/37/77/554993777.db2.gz ONMJACGNCYQDIP-UHFFFAOYSA-N 1 0 497.599 4.561 50 0 JJAARO Cc1ccc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4C)c3C3CC[NH2+]CC3)CC2)c(C)c1 ZINC000009227467 555000156 /nfs/dbraw/zinc/00/01/56/555000156.db2.gz XTYCHYKQOZFMBH-UHFFFAOYSA-N 1 0 492.067 4.880 50 0 JJAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c12 ZINC000009266292 555042544 /nfs/dbraw/zinc/04/25/44/555042544.db2.gz VGMQQJNRZLIAKY-MRXNPFEDSA-N 1 0 454.018 4.851 50 0 JJAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009310075 555085590 /nfs/dbraw/zinc/08/55/90/555085590.db2.gz GNEXEQXOBNDLIP-QGZVFWFLSA-N 1 0 451.542 4.765 50 0 JJAARO O=C(Nc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1)Nc1cccc(Cl)c1 ZINC000009319852 555094663 /nfs/dbraw/zinc/09/46/63/555094663.db2.gz NRUCKFRQNIWZAB-UHFFFAOYSA-N 1 0 469.998 4.835 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402976 555160959 /nfs/dbraw/zinc/16/09/59/555160959.db2.gz QHAAJNXBRWTNOE-YADARESESA-N 1 0 483.659 4.813 50 0 JJAARO CCC[NH+](CCC)C[C@@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009428123 555193657 /nfs/dbraw/zinc/19/36/57/555193657.db2.gz GZROMFDYNOTMLO-RUZDIDTESA-N 1 0 454.636 4.826 50 0 JJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5cccc(C)c5)ccc4n3C)CC2)cc1 ZINC000009446228 555218968 /nfs/dbraw/zinc/21/89/68/555218968.db2.gz BCQUEFNEFIHDPE-UHFFFAOYSA-N 1 0 467.617 4.807 50 0 JJAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CC[NH+]3CCC(Cc4ccccc4)CC3)c21 ZINC000009453946 555225298 /nfs/dbraw/zinc/22/52/98/555225298.db2.gz XMUFXLVIVRVKRD-UHFFFAOYSA-N 1 0 491.632 4.955 50 0 JJAARO CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC000009472811 555255638 /nfs/dbraw/zinc/25/56/38/555255638.db2.gz VMBBUJLOLHOIME-UHFFFAOYSA-N 1 0 494.661 4.648 50 0 JJAARO COc1ccc([C@H](CNC(=O)CCc2c(C)nn(-c3ccccc3)c2C)[NH+]2CCCCC2)cc1 ZINC000009494171 555277947 /nfs/dbraw/zinc/27/79/47/555277947.db2.gz DQRALUNAPFTACT-MHZLTWQESA-N 1 0 460.622 4.774 50 0 JJAARO CC[NH+](CC)CCOc1c2sc3nc4n(c(=O)c3c2ccc1Br)CCCCC4 ZINC000013301855 555373000 /nfs/dbraw/zinc/37/30/00/555373000.db2.gz JHFCZXOEVQVBPP-UHFFFAOYSA-N 1 0 464.429 4.821 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000009605197 555431805 /nfs/dbraw/zinc/43/18/05/555431805.db2.gz XKHKYCZXXKHMTJ-UHFFFAOYSA-N 1 0 470.976 4.528 50 0 JJAARO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)sc3c2c1 ZINC000009611171 555442645 /nfs/dbraw/zinc/44/26/45/555442645.db2.gz JWLZLBMPVKZGGN-UHFFFAOYSA-N 1 0 496.032 4.912 50 0 JJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009723968 555455933 /nfs/dbraw/zinc/45/59/33/555455933.db2.gz YIVIHFWDDQHEGQ-UHFFFAOYSA-N 1 0 451.574 4.519 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@@H]34)CC2)c1 ZINC000009776995 555495660 /nfs/dbraw/zinc/49/56/60/555495660.db2.gz RJWWKNZVXLXJPL-IHLOFXLRSA-N 1 0 493.651 4.860 50 0 JJAARO CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019831868 555505666 /nfs/dbraw/zinc/50/56/66/555505666.db2.gz YIKKOQFADCCVLX-UHFFFAOYSA-N 1 0 477.630 4.528 50 0 JJAARO CC[C@H](C)[N@H+](CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)C1CCCCC1 ZINC000009847833 555549696 /nfs/dbraw/zinc/54/96/96/555549696.db2.gz BRSVDZSBCXWDIL-IBGZPJMESA-N 1 0 472.699 4.641 50 0 JJAARO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@H]3CCC[N@@H+]4CCCC[C@H]34)c2n1 ZINC000009972254 555571686 /nfs/dbraw/zinc/57/16/86/555571686.db2.gz VGDAQBDEZHYPBP-OXQOHEQNSA-N 1 0 470.520 4.764 50 0 JJAARO Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCC3)c(OCC[NH+]3CCCCC3)c21 ZINC000013721594 555597137 /nfs/dbraw/zinc/59/71/37/555597137.db2.gz ONRILUMKMUBXGF-UHFFFAOYSA-N 1 0 450.608 4.767 50 0 JJAARO COC(=O)c1ccc(Oc2coc3c(ccc4c3CN(C3CC(C)(C)[NH2+]C(C)(C)C3)CO4)c2=O)cc1 ZINC000013726841 555600926 /nfs/dbraw/zinc/60/09/26/555600926.db2.gz ACSMQBHGDIPBES-UHFFFAOYSA-N 1 0 492.572 4.833 50 0 JJAARO Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)N3CCCC3)c(OCCC[NH+](C)C)c21 ZINC000013734745 555605505 /nfs/dbraw/zinc/60/55/05/555605505.db2.gz SKUDRJFUGUZERK-UHFFFAOYSA-N 1 0 459.015 4.887 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066894 555614065 /nfs/dbraw/zinc/61/40/65/555614065.db2.gz HRIZDRYLTNTEQV-UHFFFAOYSA-N 1 0 454.577 4.623 50 0 JJAARO C[NH+](C)CCCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010068093 555614311 /nfs/dbraw/zinc/61/43/11/555614311.db2.gz OGEQWAXKLZAXPG-UHFFFAOYSA-N 1 0 487.581 4.855 50 0 JJAARO CN1C[C@]2(CC[C@@H]3[C@H]4CC=C5CC6(CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO6)OC12CC[NH+](C)CC2 ZINC000020113794 555651504 /nfs/dbraw/zinc/65/15/04/555651504.db2.gz YMCDKPBEFRXSQH-AKCFYGDASA-N 1 0 470.698 4.815 50 0 biogenic JJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc12 ZINC000020114373 555652188 /nfs/dbraw/zinc/65/21/88/555652188.db2.gz OKLKTRHUHBRGKX-UHFFFAOYSA-N 1 0 473.802 4.963 50 0 JJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4cccc(Cl)c4)ccc3n2)CC1 ZINC000020136335 555660676 /nfs/dbraw/zinc/66/06/76/555660676.db2.gz XKJZLBJIRJZIFE-UHFFFAOYSA-N 1 0 480.012 4.696 50 0 JJAARO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2N(C)C1=O ZINC000020179764 555685495 /nfs/dbraw/zinc/68/54/95/555685495.db2.gz UMDOHJYWRFJAPW-FMEPYYHXSA-N 1 0 493.673 4.903 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000020181300 555688321 /nfs/dbraw/zinc/68/83/21/555688321.db2.gz SWABLYAVFWYKEX-YZYPULCFSA-N 1 0 463.647 4.713 50 0 JJAARO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1OC ZINC000014249251 555752224 /nfs/dbraw/zinc/75/22/24/555752224.db2.gz BFSQEASCRYJWNC-UHFFFAOYSA-N 1 0 470.573 4.548 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@H]2C)c1 ZINC000020329387 555775495 /nfs/dbraw/zinc/77/54/95/555775495.db2.gz FYXBWCHZYQXSTO-HXUWFJFHSA-N 1 0 461.631 4.947 50 0 JJAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[NH+]4CCCC4)cc3)C2=O)c1 ZINC000020355181 555782731 /nfs/dbraw/zinc/78/27/31/555782731.db2.gz GIWXQWGJOIWGKQ-VFCFBJKWSA-N 1 0 481.596 4.787 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508685 555792032 /nfs/dbraw/zinc/79/20/32/555792032.db2.gz HDBWJRWHMUNQDF-BTZRARBUSA-N 1 0 465.663 4.962 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531263 555798819 /nfs/dbraw/zinc/79/88/19/555798819.db2.gz LNPJPUOMLUOPHH-SSEXGKCCSA-N 1 0 495.667 4.715 50 0 JJAARO CC[C@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532128 555800068 /nfs/dbraw/zinc/80/00/68/555800068.db2.gz LNRDCZGUWQXODE-SFHVURJKSA-N 1 0 454.596 4.817 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020532316 555801721 /nfs/dbraw/zinc/80/17/21/555801721.db2.gz TXRWABXMOUOSHS-DEOSSOPVSA-N 1 0 485.657 4.986 50 0 JJAARO CC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccc(C)n3)CC2)[C@H]1OCc1ccccc1 ZINC000011783901 555815157 /nfs/dbraw/zinc/81/51/57/555815157.db2.gz KBPQYGOQOGNMQH-IZLXSDGUSA-N 1 0 455.602 4.700 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccc4ncccc4c3)CC2)N1Cc1ccccc1 ZINC000014530669 555817688 /nfs/dbraw/zinc/81/76/88/555817688.db2.gz SKNRYSBKFXURAN-UHFFFAOYSA-N 1 0 491.595 4.629 50 0 JJAARO COc1cc(CN2C(=O)CC[C@@H]3C[N@@H+](C/C(C)=C/c4ccccc4)CC[C@@H]32)cc(OC)c1OC ZINC000011787916 555822264 /nfs/dbraw/zinc/82/22/64/555822264.db2.gz HYAZFLGFQYKDEE-LXENARQHSA-N 1 0 464.606 4.629 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)N1Cc1ccccc1 ZINC000014534032 555822647 /nfs/dbraw/zinc/82/26/47/555822647.db2.gz ITHVWFQVRSULIT-UHFFFAOYSA-N 1 0 479.584 4.562 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](CCCc4ccccc4)CC3)C2=O)cc1 ZINC000014534946 555823665 /nfs/dbraw/zinc/82/36/65/555823665.db2.gz NCHVPJIUYYILHV-UHFFFAOYSA-N 1 0 463.622 4.583 50 0 JJAARO C[C@@H](C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1)c1ccccc1 ZINC000014535814 555824697 /nfs/dbraw/zinc/82/46/97/555824697.db2.gz JJZFCFPTAFSZGV-QHCPKHFHSA-N 1 0 468.601 4.684 50 0 JJAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014539016 555828596 /nfs/dbraw/zinc/82/85/96/555828596.db2.gz MYGABBVNWCHRTH-UHFFFAOYSA-N 1 0 453.586 4.747 50 0 JJAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)cc1C ZINC000014539767 555829778 /nfs/dbraw/zinc/82/97/78/555829778.db2.gz WDTPRRCFTKLOCC-UHFFFAOYSA-N 1 0 482.628 4.740 50 0 JJAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1)c1cccnc1 ZINC000011838593 555831950 /nfs/dbraw/zinc/83/19/50/555831950.db2.gz VFINPSFSRJPKMD-JOCHJYFZSA-N 1 0 465.981 4.939 50 0 JJAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc(-c3cccc(Cl)c3)o1)CC2 ZINC000014542385 555833100 /nfs/dbraw/zinc/83/31/00/555833100.db2.gz UQHWQZYCAYJYDC-UHFFFAOYSA-N 1 0 478.980 4.814 50 0 JJAARO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3CC[NH+](Cc4ccccc4)CC3)cc2O)cc1 ZINC000020591088 555837914 /nfs/dbraw/zinc/83/79/14/555837914.db2.gz WNUSDPJAKQVVQT-UHFFFAOYSA-N 1 0 498.627 4.963 50 0 JJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCCc3ccccc32)s1 ZINC000020597733 555839260 /nfs/dbraw/zinc/83/92/60/555839260.db2.gz AIANAFMEZNPUOJ-UHFFFAOYSA-N 1 0 474.674 4.770 50 0 JJAARO C[NH+]1CCN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccc(Cl)cc3)cn2)CC1 ZINC000014810328 555840281 /nfs/dbraw/zinc/84/02/81/555840281.db2.gz RUCFBIBQXDAKGQ-UHFFFAOYSA-N 1 0 487.007 4.651 50 0 JJAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(OC)c3ccccc13)CC2 ZINC000011868652 555845678 /nfs/dbraw/zinc/84/56/78/555845678.db2.gz KRLNCWIOGUDSOF-VWLOTQADSA-N 1 0 458.602 4.818 50 0 JJAARO O=C([C@H]1CC=CCC1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000011872082 555847585 /nfs/dbraw/zinc/84/75/85/555847585.db2.gz HMYAVXSNPVHEMB-VWLOTQADSA-N 1 0 460.618 4.945 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)c1cc2cc(C3(O)CC[NH+](Cc4ccsc4)CC3)ccc2o1 ZINC000015006263 555850788 /nfs/dbraw/zinc/85/07/88/555850788.db2.gz DWRKNKAERRXPNE-UHFFFAOYSA-N 1 0 490.581 4.637 50 0 JJAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+][C@@H](CCn3ccnc3)c3ccccc3)CC2)cc1 ZINC000011911442 555859325 /nfs/dbraw/zinc/85/93/25/555859325.db2.gz MKFMLVJVTLZBGS-NDEPHWFRSA-N 1 0 471.649 4.946 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c(F)c1 ZINC000011911514 555859355 /nfs/dbraw/zinc/85/93/55/555859355.db2.gz UZCGBSAWPLNQJD-RPBOFIJWSA-N 1 0 480.605 4.929 50 0 JJAARO COc1cccc(CN2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c1OC ZINC000011912491 555861419 /nfs/dbraw/zinc/86/14/19/555861419.db2.gz UVUTXLGRXRKQJC-UHFFFAOYSA-N 1 0 489.616 4.537 50 0 JJAARO CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000011912830 555861959 /nfs/dbraw/zinc/86/19/59/555861959.db2.gz BLBBDHQOHKPOQR-UHFFFAOYSA-N 1 0 459.512 4.670 50 0 JJAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000011913130 555862698 /nfs/dbraw/zinc/86/26/98/555862698.db2.gz LDSQOEWTNOCVID-UHFFFAOYSA-N 1 0 482.550 4.832 50 0 JJAARO CC[C@H](C)c1ccc(-c2csc(Cn3c(CN4CC[NH+](C)CC4)nc4ccccc4c3=O)n2)cc1 ZINC000022030296 555864561 /nfs/dbraw/zinc/86/45/61/555864561.db2.gz GILSLIZEYPBWAI-FQEVSTJZSA-N 1 0 487.673 4.829 50 0 JJAARO S=c1n(CN2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000022038299 555865607 /nfs/dbraw/zinc/86/56/07/555865607.db2.gz KAHZQMCZHCLETR-UHFFFAOYSA-N 1 0 477.037 4.894 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(F)c2F)C4)cs1 ZINC000015068507 555868449 /nfs/dbraw/zinc/86/84/49/555868449.db2.gz BKOOYECFSSWCEX-DOMZBBRYSA-N 1 0 472.586 4.758 50 0 JJAARO COc1ccccc1CNC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000011965524 555871637 /nfs/dbraw/zinc/87/16/37/555871637.db2.gz XTQFBDDTVZEHDC-URXFXBBRSA-N 1 0 472.614 4.623 50 0 JJAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]Cc3cc4ccccc4s3)CC2)cc1 ZINC000015072954 555871954 /nfs/dbraw/zinc/87/19/54/555871954.db2.gz XONCRKGFCAIBJB-UHFFFAOYSA-N 1 0 456.615 4.985 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2ccsc2)c2ccccc2C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000011976769 555875749 /nfs/dbraw/zinc/87/57/49/555875749.db2.gz VWHIMGWVQRYXHP-RPBOFIJWSA-N 1 0 476.598 4.510 50 0 JJAARO CC(C)NC(=O)c1ccc(-c2csc3ccccc23)nc1N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000012034600 555888205 /nfs/dbraw/zinc/88/82/05/555888205.db2.gz HFMXGNGKSBENAV-HXUWFJFHSA-N 1 0 492.689 4.775 50 0 JJAARO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012037125 555890074 /nfs/dbraw/zinc/89/00/74/555890074.db2.gz SZHXOPXNTHGDJC-QHCPKHFHSA-N 1 0 495.627 4.715 50 0 JJAARO COc1cc(C)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)cc1C ZINC000012037005 555890114 /nfs/dbraw/zinc/89/01/14/555890114.db2.gz YOUUWMSPHDWOHK-SXOMAYOGSA-N 1 0 474.601 4.939 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccs1)Sc1ccccc1-2 ZINC000012039182 555892001 /nfs/dbraw/zinc/89/20/01/555892001.db2.gz GZQIVYVSTZMHSP-KOSHJBKYSA-N 1 0 479.671 4.811 50 0 JJAARO COc1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)cc(Cl)c1O ZINC000012051998 555896425 /nfs/dbraw/zinc/89/64/25/555896425.db2.gz PFPHOOXYRYDOQN-NOZRDPDXSA-N 1 0 496.991 4.681 50 0 JJAARO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015318874 555896909 /nfs/dbraw/zinc/89/69/09/555896909.db2.gz UHJMVOIXJUEBBJ-UTKZUKDTSA-N 1 0 470.520 4.764 50 0 JJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000015318880 555897042 /nfs/dbraw/zinc/89/70/42/555897042.db2.gz MEMMJGXLTRSCSG-UTKZUKDTSA-N 1 0 484.522 4.935 50 0 JJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000015319145 555897205 /nfs/dbraw/zinc/89/72/05/555897205.db2.gz ZHKOJPHSOWHHAZ-JXFKEZNVSA-N 1 0 476.474 4.976 50 0 JJAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccs2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012054685 555897863 /nfs/dbraw/zinc/89/78/63/555897863.db2.gz RZNSHXXCABWUSH-WMZHIEFXSA-N 1 0 495.611 4.733 50 0 JJAARO COC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)CCCCc2ccccc2)CCO3)C1 ZINC000012098715 555905703 /nfs/dbraw/zinc/90/57/03/555905703.db2.gz YKFRVXBTWCQPNW-VWLOTQADSA-N 1 0 450.623 4.679 50 0 JJAARO C[C@H]([NH2+]C1CCN(c2ccc(CC(=O)N3CCC(O)CC3)cc2)CC1)c1cccc2ccccc21 ZINC000012098925 555906000 /nfs/dbraw/zinc/90/60/00/555906000.db2.gz UEPDPMGAXUFGNO-QFIPXVFZSA-N 1 0 471.645 4.685 50 0 JJAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000012099574 555907064 /nfs/dbraw/zinc/90/70/64/555907064.db2.gz LAQKQPILOTZRJO-QHCPKHFHSA-N 1 0 453.026 4.807 50 0 JJAARO COCC[N@H+](Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccc(C)cc1)C(C)C ZINC000012150494 555922783 /nfs/dbraw/zinc/92/27/83/555922783.db2.gz REYQBDPXEWZZDZ-UHFFFAOYSA-N 1 0 455.580 4.500 50 0 JJAARO COc1ccc(-c2n[nH]cc2C[NH+]2CCC3(C[C@H]3C(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012151314 555923862 /nfs/dbraw/zinc/92/38/62/555923862.db2.gz GIAKPWNDMCFGAJ-VWLOTQADSA-N 1 0 483.616 4.528 50 0 JJAARO CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CC[NH+](C4CCCCC4)CC3)ccc2o1 ZINC000012156851 555928633 /nfs/dbraw/zinc/92/86/33/555928633.db2.gz FJQPWNITGYVZOB-UHFFFAOYSA-N 1 0 453.608 4.778 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015678195 555943006 /nfs/dbraw/zinc/94/30/06/555943006.db2.gz WIVDDMGHYVHVDT-MUUNZHRXSA-N 1 0 480.653 4.678 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000012243043 555946139 /nfs/dbraw/zinc/94/61/39/555946139.db2.gz AQALEWWHKPNVBW-JOCHJYFZSA-N 1 0 454.596 4.520 50 0 JJAARO c1ccc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)nc1 ZINC000012247922 555947254 /nfs/dbraw/zinc/94/72/54/555947254.db2.gz RRHRYGZMAPGAJJ-HSZRJFAPSA-N 1 0 455.672 4.904 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000015725624 555962711 /nfs/dbraw/zinc/96/27/11/555962711.db2.gz WZYUCRIUAFWIQI-UHFFFAOYSA-N 1 0 493.677 4.933 50 0 JJAARO O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022917959 555971843 /nfs/dbraw/zinc/97/18/43/555971843.db2.gz UWDGNOBFUYMXJS-UHFFFAOYSA-N 1 0 480.395 4.954 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732323 555976629 /nfs/dbraw/zinc/97/66/29/555976629.db2.gz HZARYLWHMJHPLC-UHFFFAOYSA-N 1 0 462.594 4.773 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000015732223 555976674 /nfs/dbraw/zinc/97/66/74/555976674.db2.gz CDMOYCPNUCXEFJ-SFHVURJKSA-N 1 0 464.591 4.810 50 0 JJAARO COc1ccc(-c2coc3cc(OCCN4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000022933192 555985585 /nfs/dbraw/zinc/98/55/85/555985585.db2.gz BUOPYUBLGUPTHX-UHFFFAOYSA-N 1 0 470.569 4.665 50 0 biogenic JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)cc2)CC1 ZINC000022938123 555991161 /nfs/dbraw/zinc/99/11/61/555991161.db2.gz LSKISZMCPYFYLX-UHFFFAOYSA-N 1 0 459.619 4.785 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774019 555992311 /nfs/dbraw/zinc/99/23/11/555992311.db2.gz XVGWRMZFNYXXKA-MHZLTWQESA-N 1 0 488.031 4.940 50 0 JJAARO COc1cc(OC)nc([C@@H](c2ccccc2)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022942068 555992546 /nfs/dbraw/zinc/99/25/46/555992546.db2.gz YLXKGQAYGGCJBX-GDLZYMKVSA-N 1 0 480.612 4.990 50 0 JJAARO COc1cc(OC)nc([C@H](c2ccccc2)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000022942065 555992602 /nfs/dbraw/zinc/99/26/02/555992602.db2.gz YLXKGQAYGGCJBX-LJAQVGFWSA-N 1 0 480.612 4.990 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccco1 ZINC000012528409 555996972 /nfs/dbraw/zinc/99/69/72/555996972.db2.gz UNJANYTYFGPBTG-QFIPXVFZSA-N 1 0 493.608 4.958 50 0 JJAARO Cc1ccc2c(c1)-c1c(c(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)nn1C)CS2 ZINC000015782830 556000980 /nfs/dbraw/zinc/00/09/80/556000980.db2.gz BNECYTQXPPAVMQ-UHFFFAOYSA-N 1 0 464.610 4.782 50 0 JJAARO C[C@H]1CCn2c3ccc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc3nc2C1 ZINC000015786925 556006354 /nfs/dbraw/zinc/00/63/54/556006354.db2.gz DSJOYUCYQFLSID-SFHVURJKSA-N 1 0 451.014 4.914 50 0 JJAARO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000023079755 556006393 /nfs/dbraw/zinc/00/63/93/556006393.db2.gz HDYHWIPEANFWNZ-LOSJGSFVSA-N 1 0 486.641 4.524 50 0 JJAARO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000023079753 556006473 /nfs/dbraw/zinc/00/64/73/556006473.db2.gz HDYHWIPEANFWNZ-RPBOFIJWSA-N 1 0 486.641 4.524 50 0 JJAARO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)cc1 ZINC000023079180 556006488 /nfs/dbraw/zinc/00/64/88/556006488.db2.gz PCJPGFSVVSHLPA-UHFFFAOYSA-N 1 0 499.677 4.805 50 0 JJAARO Cc1csc(C[N@@H+](C)[C@@H]2CCc3c(sc4ncn(Cc5cccc(Cl)c5)c(=O)c34)C2)n1 ZINC000023130115 556019301 /nfs/dbraw/zinc/01/93/01/556019301.db2.gz SMBSWNNOSAUBRY-QGZVFWFLSA-N 1 0 471.051 4.914 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000023224742 556032335 /nfs/dbraw/zinc/03/23/35/556032335.db2.gz BVJOHWYSWUXNQA-QHCPKHFHSA-N 1 0 461.046 4.524 50 0 JJAARO Cc1nc2ncnn2c(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)c1Cc1ccccc1 ZINC000023459936 556071420 /nfs/dbraw/zinc/07/14/20/556071420.db2.gz ZOKPHHOVXPEBKF-UHFFFAOYSA-N 1 0 454.622 4.643 50 0 JJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000023844771 556091128 /nfs/dbraw/zinc/09/11/28/556091128.db2.gz ABLIZYJOFPMWNE-UHFFFAOYSA-N 1 0 480.962 4.882 50 0 JJAARO CN1C[C@]2(CC[C@@H]3[C@@H]4CC=C5CC6(CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO6)OC12CC[NH+](C)CC2 ZINC000012661405 556101054 /nfs/dbraw/zinc/10/10/54/556101054.db2.gz YMCDKPBEFRXSQH-DKYHJMRNSA-N 1 0 470.698 4.815 50 0 biogenic JJAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000012758598 556108585 /nfs/dbraw/zinc/10/85/85/556108585.db2.gz CSDGRPQGFGEHTN-QGZVFWFLSA-N 1 0 484.691 4.510 50 0 JJAARO CC(C)C[NH+]1CCC(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000012912845 556131875 /nfs/dbraw/zinc/13/18/75/556131875.db2.gz MROMXZCMSNAAII-UHFFFAOYSA-N 1 0 465.667 4.723 50 0 JJAARO CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C[NH+](CC)CC)c4)cc3C2=O)cc1 ZINC000024926600 556164123 /nfs/dbraw/zinc/16/41/23/556164123.db2.gz XFEMKEWCRQSXRG-UHFFFAOYSA-N 1 0 471.557 4.980 50 0 JJAARO CCOc1ccccc1CNC(=O)c1cc(N2CC[NH+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000025143477 556182519 /nfs/dbraw/zinc/18/25/19/556182519.db2.gz BQOSIBADEGUMLF-UHFFFAOYSA-N 1 0 480.612 4.886 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017041137 556207520 /nfs/dbraw/zinc/20/75/20/556207520.db2.gz UGBRRGHZQGITGH-GDLZYMKVSA-N 1 0 480.612 4.526 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017041127 556207533 /nfs/dbraw/zinc/20/75/33/556207533.db2.gz IPFONIWPBSZRIE-LJAQVGFWSA-N 1 0 480.612 4.526 50 0 JJAARO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)[C@@H](C)Cc2cccs2)cc1 ZINC000013018605 556210561 /nfs/dbraw/zinc/21/05/61/556210561.db2.gz OAYFWBBZUXCTOV-FQEVSTJZSA-N 1 0 477.630 4.955 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccccc1 ZINC000018019212 556276779 /nfs/dbraw/zinc/27/67/79/556276779.db2.gz VQDFGVYMOGRAHB-MHZLTWQESA-N 1 0 457.618 4.891 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)[NH+]2CCCCC2)cc1 ZINC000013108215 556305156 /nfs/dbraw/zinc/30/51/56/556305156.db2.gz XXGHHXALOFPHDM-DEOSSOPVSA-N 1 0 461.562 4.806 50 0 JJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028289888 556328013 /nfs/dbraw/zinc/32/80/13/556328013.db2.gz XUAAXHPVIUIHCF-QGZVFWFLSA-N 1 0 475.408 4.964 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c2cccs2)CC1 ZINC000013119734 556331822 /nfs/dbraw/zinc/33/18/22/556331822.db2.gz VKAKRTOJYJSEGZ-QFIPXVFZSA-N 1 0 454.640 4.581 50 0 JJAARO CCc1cc2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2cc1O ZINC000019371428 556347127 /nfs/dbraw/zinc/34/71/27/556347127.db2.gz QNLCXTSPMLRNRM-UHFFFAOYSA-N 1 0 454.570 4.968 50 0 JJAARO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC3 ZINC000019372510 556347436 /nfs/dbraw/zinc/34/74/36/556347436.db2.gz DXBXGVNRKJWZRM-UHFFFAOYSA-N 1 0 478.640 4.768 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)cc2C)CC1 ZINC000029404802 556351585 /nfs/dbraw/zinc/35/15/85/556351585.db2.gz UYSJLDDYQUVFQW-UHFFFAOYSA-N 1 0 452.002 4.596 50 0 JJAARO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000029939415 556360456 /nfs/dbraw/zinc/36/04/56/556360456.db2.gz DTYNPUUAJNLONK-AAJFVQQISA-N 1 0 467.573 4.884 50 0 JJAARO COc1ccc(CC[N@H+](C)C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000013135807 556366442 /nfs/dbraw/zinc/36/64/42/556366442.db2.gz JUHKKAOQMHXTRE-DEOSSOPVSA-N 1 0 471.544 4.623 50 0 JJAARO CCn1c(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nc2scc(-c3cccs3)c2c1=O ZINC000032707968 556472600 /nfs/dbraw/zinc/47/26/00/556472600.db2.gz DELGQOLBRCQOKV-SFHVURJKSA-N 1 0 498.699 4.718 50 0 JJAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000032927023 556544290 /nfs/dbraw/zinc/54/42/90/556544290.db2.gz LXRFMYUUQUDDDD-UHFFFAOYSA-N 1 0 469.630 4.562 50 0 JJAARO Cc1oc(-c2cccc(Br)c2)nc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000008584811 562940660 /nfs/dbraw/zinc/94/06/60/562940660.db2.gz FJJHSSCSMUBXDC-UHFFFAOYSA-N 1 0 468.395 4.941 50 0 JJAARO Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)CC1 ZINC000008593563 562943395 /nfs/dbraw/zinc/94/33/95/562943395.db2.gz VJNYGTLPBZMXOO-UHFFFAOYSA-N 1 0 498.458 4.917 50 0 JJAARO COc1ccc(-c2cc3ccc(OCC[NH+]4CCN(c5ccccc5)CC4)cc3oc2=O)cc1OC ZINC000054307069 569589960 /nfs/dbraw/zinc/58/99/60/569589960.db2.gz VFNYUMSBRPHYID-UHFFFAOYSA-N 1 0 486.568 4.678 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCSC)[NH2+][C@]12C(=O)Nc1c2cccc1Cl ZINC000057142816 569594624 /nfs/dbraw/zinc/59/46/24/569594624.db2.gz RYEKETHKBNLDFV-IEROGBPDSA-N 1 0 480.417 4.519 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000057134951 569594641 /nfs/dbraw/zinc/59/46/41/569594641.db2.gz ZRDNNOWZEQFRSG-JCEJCQQGSA-N 1 0 462.377 4.812 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000057222796 569594719 /nfs/dbraw/zinc/59/47/19/569594719.db2.gz GYVKTOAXLREVMB-UHFFFAOYSA-N 1 0 493.991 4.710 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000057222868 569594828 /nfs/dbraw/zinc/59/48/28/569594828.db2.gz ZTNKEVLJKGUGRZ-UHFFFAOYSA-N 1 0 487.600 4.835 50 0 JJAARO C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1F ZINC000057332228 569598902 /nfs/dbraw/zinc/59/89/02/569598902.db2.gz TWWLJZQMEXXWCW-HXUWFJFHSA-N 1 0 464.560 4.576 50 0 JJAARO O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000032974395 569605511 /nfs/dbraw/zinc/60/55/11/569605511.db2.gz PZSCFVRUUSEFMO-UHFFFAOYSA-N 1 0 467.698 4.656 50 0 JJAARO CC[NH+](CC)CCN1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000033331992 569624596 /nfs/dbraw/zinc/62/45/96/569624596.db2.gz DYHKAMQJUUOKDU-GDLZYMKVSA-N 1 0 493.696 4.679 50 0 JJAARO CC[NH+](CC)CCN1C(=O)c2cc(-c3ccc(C(C)C)cc3)nn2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000033331991 569624688 /nfs/dbraw/zinc/62/46/88/569624688.db2.gz DYHKAMQJUUOKDU-LJAQVGFWSA-N 1 0 493.696 4.679 50 0 JJAARO CC[C@H]1Cn2c(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc3c2c(ccc3Cl)O1 ZINC000064816633 569633631 /nfs/dbraw/zinc/63/36/31/569633631.db2.gz VHABDQVNQZAETR-FQEVSTJZSA-N 1 0 485.003 4.547 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1ccc(CN2c3cc(-c4cccc(Cl)c4)nn3CCC2=O)cc1 ZINC000064816727 569633704 /nfs/dbraw/zinc/63/37/04/569633704.db2.gz BPGYCELUGLUJRY-UHFFFAOYSA-N 1 0 494.039 4.602 50 0 JJAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccc3)[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000034669789 569640664 /nfs/dbraw/zinc/64/06/64/569640664.db2.gz UEPLITUZENKSFC-SGIRGMQISA-N 1 0 470.560 4.720 50 0 JJAARO O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)NCC[NH+]1CCCCC1 ZINC000034679728 569642769 /nfs/dbraw/zinc/64/27/69/569642769.db2.gz DJDKTPSMPJBINP-UHFFFAOYSA-N 1 0 491.582 4.956 50 0 JJAARO COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000034679905 569642817 /nfs/dbraw/zinc/64/28/17/569642817.db2.gz KXBQSEKMXVJZKX-UHFFFAOYSA-N 1 0 485.628 4.687 50 0 JJAARO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1)NCC[NH+]1CCCC1 ZINC000034679982 569642897 /nfs/dbraw/zinc/64/28/97/569642897.db2.gz JIPCFQNGZMTITB-UHFFFAOYSA-N 1 0 477.555 4.566 50 0 JJAARO O=C(c1cccnc1Cl)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000034697726 569647629 /nfs/dbraw/zinc/64/76/29/569647629.db2.gz PKYLDHARQLDSSD-OFVILXPXSA-N 1 0 478.999 4.552 50 0 JJAARO O=C(c1cccnc1Cl)N1C[C@@H](c2ccccc2)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034697728 569647703 /nfs/dbraw/zinc/64/77/03/569647703.db2.gz PKYLDHARQLDSSD-BWKNWUBXSA-N 1 0 478.999 4.552 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)CC4CCCC4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698455 569647867 /nfs/dbraw/zinc/64/78/67/569647867.db2.gz NGGZOLVYOVXBIJ-YWEHKCAJSA-N 1 0 479.640 4.779 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023531 569649825 /nfs/dbraw/zinc/64/98/25/569649825.db2.gz JRLZYJKZTMKBKW-DEOSSOPVSA-N 1 0 475.612 4.528 50 0 JJAARO Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCC[N@H+](Cc4ccoc4)CC3)nc2c1 ZINC000034707914 569650137 /nfs/dbraw/zinc/65/01/37/569650137.db2.gz MTCPEFHAGZXFIP-UHFFFAOYSA-N 1 0 464.982 4.965 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711149 569650836 /nfs/dbraw/zinc/65/08/36/569650836.db2.gz KVXBYQGFDCZYPW-VXKWHMMOSA-N 1 0 464.512 4.616 50 0 JJAARO 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 569651981 /nfs/dbraw/zinc/65/19/81/569651981.db2.gz RAFFUFMWAUILHI-TZRRMPRUSA-N 1 0 484.587 4.681 50 0 JJAARO CCCCCC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830325 569663923 /nfs/dbraw/zinc/66/39/23/569663923.db2.gz KHSPAIOCCREAAE-LVXARBLLSA-N 1 0 467.679 4.644 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833455 569664518 /nfs/dbraw/zinc/66/45/18/569664518.db2.gz XRIGNIHDMZHMHE-SFHVURJKSA-N 1 0 451.590 4.827 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)Cc1ccccc1F ZINC000034835948 569665047 /nfs/dbraw/zinc/66/50/47/569665047.db2.gz QWEIRTRZUDDGEA-UHFFFAOYSA-N 1 0 453.581 4.623 50 0 JJAARO CCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)Cc1ccc(F)cc1 ZINC000034836527 569665488 /nfs/dbraw/zinc/66/54/88/569665488.db2.gz IHFUMWKTIYBQGD-UHFFFAOYSA-N 1 0 453.581 4.623 50 0 JJAARO CCCC[C@@H](CC)C(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000034921488 569672355 /nfs/dbraw/zinc/67/23/55/569672355.db2.gz TYVWPNTZWAGDOP-OAQYLSRUSA-N 1 0 478.630 4.700 50 0 JJAARO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)(C)C ZINC000034921487 569672434 /nfs/dbraw/zinc/67/24/34/569672434.db2.gz QHZBVJMTQRTOAC-HXUWFJFHSA-N 1 0 492.657 4.946 50 0 JJAARO COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034925622 569673075 /nfs/dbraw/zinc/67/30/75/569673075.db2.gz YLTSIGBAKSDRNV-RDGATRHJSA-N 1 0 489.582 4.671 50 0 JJAARO CC(C)c1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372669 569683067 /nfs/dbraw/zinc/68/30/67/569683067.db2.gz CUQFBFIXRLPPBO-UHFFFAOYSA-N 1 0 452.599 4.944 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372768 569683341 /nfs/dbraw/zinc/68/33/41/569683341.db2.gz MPPXAXCUDJHKDM-UHFFFAOYSA-N 1 0 458.990 4.864 50 0 JJAARO Cc1noc(CSc2ccc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2)n1 ZINC000070013299 569694737 /nfs/dbraw/zinc/69/47/37/569694737.db2.gz ZSAMMTOSGCELOR-UHFFFAOYSA-N 1 0 456.999 4.718 50 0 JJAARO O=C(C1C[NH+](C(c2ccccc2)c2ccccc2)C1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000071282379 569696239 /nfs/dbraw/zinc/69/62/39/569696239.db2.gz PWNWFYVRGHQCEF-UHFFFAOYSA-N 1 0 461.005 4.871 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1 ZINC000035454021 569697424 /nfs/dbraw/zinc/69/74/24/569697424.db2.gz MFFGYNYJOBHPJP-UHFFFAOYSA-N 1 0 455.606 4.528 50 0 JJAARO C[C@@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000035454624 569697540 /nfs/dbraw/zinc/69/75/40/569697540.db2.gz JPHKHSNRPLEUNN-OAQYLSRUSA-N 1 0 488.632 4.585 50 0 JJAARO Cn1nc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2c1-c1ccccc1SC2 ZINC000035534887 569701529 /nfs/dbraw/zinc/70/15/29/569701529.db2.gz JJCSSNNBOSTFTN-UHFFFAOYSA-N 1 0 467.038 4.988 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000072280449 569701711 /nfs/dbraw/zinc/70/17/11/569701711.db2.gz KAYSHVRBJJADMY-VWLOTQADSA-N 1 0 492.019 4.584 50 0 JJAARO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000078718296 569706459 /nfs/dbraw/zinc/70/64/59/569706459.db2.gz DSYAOLSAEKBHNK-IBGZPJMESA-N 1 0 469.630 4.764 50 0 JJAARO C[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407243 569710405 /nfs/dbraw/zinc/71/04/05/569710405.db2.gz LJWOBFQCDBDBKS-OAHLLOKOSA-N 1 0 463.384 4.846 50 0 JJAARO COc1cccc(C[N@@H+]2CCCN(c3nc(CC(C)C)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925701 569729164 /nfs/dbraw/zinc/72/91/64/569729164.db2.gz HLGZEBACTRGROU-UHFFFAOYSA-N 1 0 470.621 4.735 50 0 JJAARO CCC[N@@H+]1CCc2c(c(CN(C(=O)Cc3ccc(OC)cc3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926209 569729640 /nfs/dbraw/zinc/72/96/40/569729640.db2.gz NTRZLIJIRJDSDZ-UHFFFAOYSA-N 1 0 474.649 4.937 50 0 JJAARO Nc1c2c(nn1-c1ccccc1Cl)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035929956 569731431 /nfs/dbraw/zinc/73/14/31/569731431.db2.gz QZIQUVRDSJBDND-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO COc1cc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)ccc1OC1CCCC1 ZINC000095951826 569731469 /nfs/dbraw/zinc/73/14/69/569731469.db2.gz GBAHEMSNKMKAHU-QFIPXVFZSA-N 1 0 450.579 4.735 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249919 569758110 /nfs/dbraw/zinc/75/81/10/569758110.db2.gz NIGLWIRKIAXKQV-DEOSSOPVSA-N 1 0 451.611 4.894 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000036249904 569758192 /nfs/dbraw/zinc/75/81/92/569758192.db2.gz WKQZHYLVQJTJJC-VWLOTQADSA-N 1 0 491.632 4.894 50 0 JJAARO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313648 569760869 /nfs/dbraw/zinc/76/08/69/569760869.db2.gz XWXGVNSXGMQUJN-QHCPKHFHSA-N 1 0 467.610 4.505 50 0 JJAARO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313802 569761134 /nfs/dbraw/zinc/76/11/34/569761134.db2.gz CJKYUTHMVSGJPQ-QHCPKHFHSA-N 1 0 497.636 4.514 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)C(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340272 569763809 /nfs/dbraw/zinc/76/38/09/569763809.db2.gz JSHRFHIWPVFEHS-VWLOTQADSA-N 1 0 465.041 4.835 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340270 569763837 /nfs/dbraw/zinc/76/38/37/569763837.db2.gz UIVXCBIZPYABPI-VWLOTQADSA-N 1 0 495.067 4.604 50 0 JJAARO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344049 569766777 /nfs/dbraw/zinc/76/67/77/569766777.db2.gz LFAISJGGIPBSCK-RUZDIDTESA-N 1 0 465.594 4.512 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345978 569768547 /nfs/dbraw/zinc/76/85/47/569768547.db2.gz SZMJLNFMFJKFKW-QFIPXVFZSA-N 1 0 455.574 4.968 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346104 569769055 /nfs/dbraw/zinc/76/90/55/569769055.db2.gz QGJMAYSCTSWGFY-QFIPXVFZSA-N 1 0 453.558 4.722 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@@H](O)COCC ZINC000036346614 569770408 /nfs/dbraw/zinc/77/04/08/569770408.db2.gz FWZPTXDDBYEBFN-OAQYLSRUSA-N 1 0 459.537 4.861 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346648 569770453 /nfs/dbraw/zinc/77/04/53/569770453.db2.gz FCNXEOXGCVEIPT-QFIPXVFZSA-N 1 0 459.537 4.859 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346714 569770652 /nfs/dbraw/zinc/77/06/52/569770652.db2.gz DJYICQZOZCXBFD-QFIPXVFZSA-N 1 0 459.537 4.859 50 0 JJAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC[NH+]1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037359615 569783894 /nfs/dbraw/zinc/78/38/94/569783894.db2.gz NTSBHXNSQHWXEQ-UHFFFAOYSA-N 1 0 468.392 4.879 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000037572201 569795918 /nfs/dbraw/zinc/79/59/18/569795918.db2.gz ZEPQLHIORCRZDU-UHFFFAOYSA-N 1 0 450.604 4.864 50 0 JJAARO COc1cccc(C[NH+]2CCC(N(c3cccc(OC)c3)S(=O)(=O)c3ccc(C)cc3)CC2)c1 ZINC000037570688 569795964 /nfs/dbraw/zinc/79/59/64/569795964.db2.gz IABKZMVLSWMEOK-UHFFFAOYSA-N 1 0 480.630 4.872 50 0 JJAARO CCc1cc([C@@H](c2ccc(OC)cc2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546553 569803279 /nfs/dbraw/zinc/80/32/79/569803279.db2.gz VJYUKCUZSWELPX-XMMPIXPASA-N 1 0 483.634 4.900 50 0 JJAARO CCc1cc([C@H](c2ccccc2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546530 569803285 /nfs/dbraw/zinc/80/32/85/569803285.db2.gz NVZCFBHEFKLEEC-QHCPKHFHSA-N 1 0 453.608 4.891 50 0 JJAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4ccccc4)nc4onc(C)c43)CC2)cc1 ZINC000040039605 569814612 /nfs/dbraw/zinc/81/46/12/569814612.db2.gz ZXHJLOVEGZPHCQ-UHFFFAOYSA-N 1 0 456.546 4.555 50 0 JJAARO CCCC[NH+]1CCC(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000040122892 569816763 /nfs/dbraw/zinc/81/67/63/569816763.db2.gz SHRNGXJGIRCOAT-UHFFFAOYSA-N 1 0 471.696 4.928 50 0 JJAARO CC[NH+](CC)CCN(C(=O)Cc1cc(C(C)=O)ccc1OC)c1cccc(Br)c1 ZINC000040157908 569821917 /nfs/dbraw/zinc/82/19/17/569821917.db2.gz AAPPKFWEQGUKIS-UHFFFAOYSA-N 1 0 461.400 4.578 50 0 JJAARO CC[C@@H](C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1cc(OC)ccc1OC ZINC000104967733 569847811 /nfs/dbraw/zinc/84/78/11/569847811.db2.gz VOBALPWOPNXEAO-RTBURBONSA-N 1 0 451.567 4.984 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983963 569848438 /nfs/dbraw/zinc/84/84/38/569848438.db2.gz CNPGBJQSGNXOQF-CLJLJLNGSA-N 1 0 466.528 4.538 50 0 JJAARO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000049586938 569849103 /nfs/dbraw/zinc/84/91/03/569849103.db2.gz YMNBBAOXHVVUIE-FVFHPELPSA-N 1 0 450.579 4.699 50 0 JJAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000105002752 569849197 /nfs/dbraw/zinc/84/91/97/569849197.db2.gz QJWASZDUTMMKQO-IGKIAQTJSA-N 1 0 492.685 4.875 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105003613 569849366 /nfs/dbraw/zinc/84/93/66/569849366.db2.gz JFDGWYCSRWECLC-NFBKMPQASA-N 1 0 467.610 4.980 50 0 JJAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000105003929 569849529 /nfs/dbraw/zinc/84/95/29/569849529.db2.gz KSMMBAGXRONPML-IGKIAQTJSA-N 1 0 492.685 4.875 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000105009265 569850494 /nfs/dbraw/zinc/85/04/94/569850494.db2.gz PXXOSACPAXYLMW-NFBKMPQASA-N 1 0 467.610 4.980 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000106021767 569853785 /nfs/dbraw/zinc/85/37/85/569853785.db2.gz GMFSZWFKYGVOPH-VHOQWXFLSA-N 1 0 486.955 4.977 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000169677633 569868767 /nfs/dbraw/zinc/86/87/67/569868767.db2.gz ZUOSWMRSYAMCFH-AHKZPQOWSA-N 1 0 494.010 4.667 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000169679603 569869850 /nfs/dbraw/zinc/86/98/50/569869850.db2.gz PXXOSACPAXYLMW-NZQKXSOJSA-N 1 0 467.610 4.980 50 0 JJAARO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613445 569872912 /nfs/dbraw/zinc/87/29/12/569872912.db2.gz PWZZUQJEROFAAU-RDPSFJRHSA-N 1 0 480.992 4.873 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000230128891 570045188 /nfs/dbraw/zinc/04/51/88/570045188.db2.gz IBVKZEOQOOGUOU-IAPPQJPRSA-N 1 0 490.047 4.571 50 0 JJAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000230128309 570045224 /nfs/dbraw/zinc/04/52/24/570045224.db2.gz REIKCLCKTQUTHI-IFMALSPDSA-N 1 0 463.931 4.501 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1F)C2 ZINC000230129867 570045506 /nfs/dbraw/zinc/04/55/06/570045506.db2.gz QJGVQPAASSNLOY-IGKIAQTJSA-N 1 0 494.010 4.667 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCCc1cccs1)C2 ZINC000230138058 570045964 /nfs/dbraw/zinc/04/59/64/570045964.db2.gz BJBXHKUAPONEOC-AHWVRZQESA-N 1 0 496.076 4.632 50 0 JJAARO Cc1ccnc(C)c1C(=O)N1CCC([NH+]2CCC(Oc3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000244909716 570054329 /nfs/dbraw/zinc/05/43/29/570054329.db2.gz ASMBWSGWURNOTJ-UHFFFAOYSA-N 1 0 496.961 4.914 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245280458 570061840 /nfs/dbraw/zinc/06/18/40/570061840.db2.gz RKFUDVIFDIWMRZ-ZEQKJWHPSA-N 1 0 480.992 4.784 50 0 JJAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245281372 570062279 /nfs/dbraw/zinc/06/22/79/570062279.db2.gz XWOOFBOABZCMQQ-AOYPEHQESA-N 1 0 493.648 4.955 50 0 JJAARO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000245326085 570064425 /nfs/dbraw/zinc/06/44/25/570064425.db2.gz DBNWJYYACMNNQO-JXHRLWIKSA-N 1 0 462.631 4.511 50 0 JJAARO CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](C)O ZINC000245326019 570064482 /nfs/dbraw/zinc/06/44/82/570064482.db2.gz CUNNTYHKLGTTOF-QTGUNEKASA-N 1 0 458.668 4.599 50 0 JJAARO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)[C@H](C)C(C)(C)O ZINC000245326170 570064666 /nfs/dbraw/zinc/06/46/66/570064666.db2.gz DPLQSDFGFXYKHN-AUSIDOKSSA-N 1 0 458.668 4.858 50 0 JJAARO CCC[C@@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327490 570065276 /nfs/dbraw/zinc/06/52/76/570065276.db2.gz JQUYVJWCCSVASF-ZJSXRUAMSA-N 1 0 476.658 4.901 50 0 JJAARO CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245329224 570066131 /nfs/dbraw/zinc/06/61/31/570066131.db2.gz RNSDBVZTVJTLIY-AZGAKELHSA-N 1 0 479.621 4.660 50 0 JJAARO C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000245330402 570066721 /nfs/dbraw/zinc/06/67/21/570066721.db2.gz YDPVSVGGKWZDAA-IURLTMSJSA-N 1 0 499.680 4.559 50 0 JJAARO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245330632 570066924 /nfs/dbraw/zinc/06/69/24/570066924.db2.gz ZRYXUPBHWZCFBY-QFQXNSOFSA-N 1 0 467.679 4.583 50 0 JJAARO O=S(=O)(c1ccccc1)N1C[C@@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000247306402 570067852 /nfs/dbraw/zinc/06/78/52/570067852.db2.gz GUBZITOIJVFHPC-DENIHFKCSA-N 1 0 452.542 4.596 50 0 JJAARO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247853190 570070045 /nfs/dbraw/zinc/07/00/45/570070045.db2.gz JKMOOPZFMCSURT-HSZRJFAPSA-N 1 0 497.618 4.725 50 0 JJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867707 570070247 /nfs/dbraw/zinc/07/02/47/570070247.db2.gz YLTSIGBAKSDRNV-WIOPSUGQSA-N 1 0 489.582 4.671 50 0 JJAARO COc1ccc(Cn2c(CN3CCC(C(=O)NCCc4ccccc4)CC3)nc3ccccc32)cc1 ZINC000247915189 570071191 /nfs/dbraw/zinc/07/11/91/570071191.db2.gz VWKRIXNCGHQXCE-UHFFFAOYSA-N 1 0 482.628 4.664 50 0 JJAARO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1)C(C)C ZINC000247980978 570072107 /nfs/dbraw/zinc/07/21/07/570072107.db2.gz HCYGREGGEBTPGV-QHCPKHFHSA-N 1 0 462.638 4.952 50 0 JJAARO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248012717 570072756 /nfs/dbraw/zinc/07/27/56/570072756.db2.gz RVQWCARPDQPFEX-KRWDZBQOSA-N 1 0 455.400 4.526 50 0 JJAARO CCCCCC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248084124 570073801 /nfs/dbraw/zinc/07/38/01/570073801.db2.gz KHSPAIOCCREAAE-HFZDXXHNSA-N 1 0 467.679 4.644 50 0 JJAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000252512252 570082666 /nfs/dbraw/zinc/08/26/66/570082666.db2.gz OMEGVDDLGUAPTE-OPXMRZJTSA-N 1 0 498.067 4.728 50 0 JJAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000253413735 570098411 /nfs/dbraw/zinc/09/84/11/570098411.db2.gz VOFIVJDPXKUISD-SQJMNOBHSA-N 1 0 460.574 4.562 50 0 JJAARO Fc1ccc(Cn2nc(C[NH2+]CCc3nc4ccccc4[nH]3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261491711 570169856 /nfs/dbraw/zinc/16/98/56/570169856.db2.gz FAEGLJHXMWBTDN-UHFFFAOYSA-N 1 0 460.944 4.995 50 0 JJAARO COc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCO4)c(-c3cccs3)nc2c1 ZINC000299760853 570174634 /nfs/dbraw/zinc/17/46/34/570174634.db2.gz KIUFJULMGKGCTG-UHFFFAOYSA-N 1 0 489.597 4.905 50 0 JJAARO COC(=O)c1sc2nc(C[N@H+](C)CCc3ccc(OC)c(OC)c3)ccc2c1NC(=O)C1CCC1 ZINC000299763856 570174922 /nfs/dbraw/zinc/17/49/22/570174922.db2.gz FQWFZLNGRQCBPX-UHFFFAOYSA-N 1 0 497.617 4.513 50 0 JJAARO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960539 194181757 /nfs/dbraw/zinc/18/17/57/194181757.db2.gz WRTZHXIUZVHXAP-QFIPXVFZSA-N 1 0 474.008 4.845 50 0 JJAARO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NN2CCOCC2)cc1 ZINC000002974773 194190365 /nfs/dbraw/zinc/19/03/65/194190365.db2.gz YFXYTVMGSISNLG-UHFFFAOYSA-N 1 0 450.340 4.509 50 0 JJAARO Cc1nc2c(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)cnn2c(C)c1Cc1ccccc1 ZINC000003041153 194215421 /nfs/dbraw/zinc/21/54/21/194215421.db2.gz HEAMJDFSOROMEL-UHFFFAOYSA-N 1 0 469.633 4.967 50 0 JJAARO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCC[N@H+](C)CC3)c2c1C ZINC000003414766 194316822 /nfs/dbraw/zinc/31/68/22/194316822.db2.gz LBSYHUVNEMBASV-UHFFFAOYSA-N 1 0 456.637 4.611 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670341 194357965 /nfs/dbraw/zinc/35/79/65/194357965.db2.gz JAPLKVOECNCFET-UPCLLVRISA-N 1 0 491.419 4.571 50 0 JJAARO COc1ccc([C@H]2c3cc(OC)c(OC)cc3Cc3c4cc(OC)c(OC)cc4cc[n+]32)cc1OC ZINC000008681875 194475951 /nfs/dbraw/zinc/47/59/51/194475951.db2.gz WKHCHIYLQUHSSM-LJAQVGFWSA-N 1 0 488.560 4.721 50 0 biogenic JJAARO Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000009115381 194535104 /nfs/dbraw/zinc/53/51/04/194535104.db2.gz XIXHTBDBDNRHHU-UUWRZZSWSA-N 1 0 478.658 4.970 50 0 JJAARO COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000009265421 194647710 /nfs/dbraw/zinc/64/77/10/194647710.db2.gz HFWBMPDYCBWJBH-UHFFFAOYSA-N 1 0 461.562 4.784 50 0 JJAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(C)cc4)CC2)n3C)cc1 ZINC000009243127 194627834 /nfs/dbraw/zinc/62/78/34/194627834.db2.gz RONBNBLOYMFOEE-UHFFFAOYSA-N 1 0 467.617 4.807 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)cc2)CC1 ZINC000009336878 194698042 /nfs/dbraw/zinc/69/80/42/194698042.db2.gz OXVFIELANDIPEU-UHFFFAOYSA-N 1 0 476.646 4.646 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)c2cccs2)CC1 ZINC000012602398 195047634 /nfs/dbraw/zinc/04/76/34/195047634.db2.gz JMXXZRHHGFAEMC-GOSISDBHSA-N 1 0 450.530 4.706 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000012772818 195118949 /nfs/dbraw/zinc/11/89/49/195118949.db2.gz FDGBKNNJNMMYIY-HSZRJFAPSA-N 1 0 483.659 4.530 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012812745 195145258 /nfs/dbraw/zinc/14/52/58/195145258.db2.gz LHRMHAUVXDSDBH-AREMUKBSSA-N 1 0 462.594 4.884 50 0 JJAARO CCOC(=O)c1c(NC(=O)COc2ccccc2OCC)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000012902223 195177985 /nfs/dbraw/zinc/17/79/85/195177985.db2.gz SKOGOBKMZMSVEI-UHFFFAOYSA-N 1 0 460.596 4.500 50 0 JJAARO O=C(CCCc1cn(C[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCCC1 ZINC000020624897 195191028 /nfs/dbraw/zinc/19/10/28/195191028.db2.gz CRXFSEFEZKUZGJ-UHFFFAOYSA-N 1 0 487.673 4.976 50 0 JJAARO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020806313 195228598 /nfs/dbraw/zinc/22/85/98/195228598.db2.gz MYVTZKUEJQZPIL-ZVXGGRIQSA-N 1 0 464.625 4.855 50 0 JJAARO C=C1C(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020901086 195241388 /nfs/dbraw/zinc/24/13/88/195241388.db2.gz XOEOWAHKKPDJRS-UHFFFAOYSA-N 1 0 466.651 4.533 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCC[N@@H+]1CCc2ccccc2C1 ZINC000020902861 195242257 /nfs/dbraw/zinc/24/22/57/195242257.db2.gz UJBQSKCMONZCDY-HKBQPEDESA-N 1 0 498.671 4.753 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CC[NH+]1CCCCCC1 ZINC000020903413 195243283 /nfs/dbraw/zinc/24/32/83/195243283.db2.gz PIQXQDMZKKLHML-GDLZYMKVSA-N 1 0 478.681 4.961 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903401 195243329 /nfs/dbraw/zinc/24/33/29/195243329.db2.gz NSWDAWOPDCJTMJ-MUUNZHRXSA-N 1 0 466.670 4.817 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(NC(=O)C4=C(C)OCCS4)cc3)CC2)cc1 ZINC000020919601 195247001 /nfs/dbraw/zinc/24/70/01/195247001.db2.gz HVVJBVSOENCHPZ-UHFFFAOYSA-N 1 0 479.646 4.570 50 0 JJAARO Cc1c(Cl)cccc1-n1ncc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1C1CC[NH2+]CC1 ZINC000020941326 195255518 /nfs/dbraw/zinc/25/55/18/195255518.db2.gz TZMALMWHLHGXHA-UHFFFAOYSA-N 1 0 498.458 4.917 50 0 JJAARO O=C(Nc1ccc(Br)cc1)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000020941005 195255533 /nfs/dbraw/zinc/25/55/33/195255533.db2.gz IOWZHLUSSFOIJN-UHFFFAOYSA-N 1 0 461.310 4.632 50 0 JJAARO CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020943304 195256355 /nfs/dbraw/zinc/25/63/55/195256355.db2.gz IEWFOQMSSHTSKI-UHFFFAOYSA-N 1 0 467.617 4.994 50 0 JJAARO Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CC[NH2+]CC3)CC2)c(C)c1 ZINC000021018135 195267282 /nfs/dbraw/zinc/26/72/82/195267282.db2.gz YLZMEMCOZITURG-UHFFFAOYSA-N 1 0 478.040 4.572 50 0 JJAARO Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)cc12 ZINC000021103622 195276750 /nfs/dbraw/zinc/27/67/50/195276750.db2.gz WPAJQYLDARURTD-UHFFFAOYSA-N 1 0 487.673 4.954 50 0 JJAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000021160349 195287120 /nfs/dbraw/zinc/28/71/20/195287120.db2.gz GEJVYXFMURETJZ-UHFFFAOYSA-N 1 0 473.665 4.602 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526689 195305170 /nfs/dbraw/zinc/30/51/70/195305170.db2.gz GANQGTIVFYPHNC-HRFSGMKKSA-N 1 0 468.642 4.552 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021808720 195323959 /nfs/dbraw/zinc/32/39/59/195323959.db2.gz UDAJGGZRKRZXAE-XDFJUBBVSA-N 1 0 498.737 4.980 50 0 JJAARO C[C@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000057755400 195359565 /nfs/dbraw/zinc/35/95/65/195359565.db2.gz JKEKVXLIPMNXEV-QFIPXVFZSA-N 1 0 457.622 4.514 50 0 JJAARO Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000058065297 195363964 /nfs/dbraw/zinc/36/39/64/195363964.db2.gz VOEQWGXEEQJZSA-SFHVURJKSA-N 1 0 464.616 4.889 50 0 JJAARO C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1=O ZINC000058160768 195368990 /nfs/dbraw/zinc/36/89/90/195368990.db2.gz JTIOCRCOJCVATL-JYFHCDHNSA-N 1 0 482.628 4.557 50 0 JJAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000058166396 195370100 /nfs/dbraw/zinc/37/01/00/195370100.db2.gz CQWOWYFOJRZXEG-UHFFFAOYSA-N 1 0 474.571 4.765 50 0 JJAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058169856 195370541 /nfs/dbraw/zinc/37/05/41/195370541.db2.gz NWTASIGSKNZIDQ-GDLZYMKVSA-N 1 0 480.612 4.912 50 0 JJAARO COc1ccc2c(CC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)coc2c1 ZINC000058175382 195371759 /nfs/dbraw/zinc/37/17/59/195371759.db2.gz LNLKDMTVSIWDLG-UHFFFAOYSA-N 1 0 455.558 4.945 50 0 JJAARO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000058217468 195373783 /nfs/dbraw/zinc/37/37/83/195373783.db2.gz JVZRARCVOJHXPK-LOYIFYEOSA-N 1 0 465.638 4.586 50 0 JJAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C1 ZINC000059057622 195387244 /nfs/dbraw/zinc/38/72/44/195387244.db2.gz MDATUSGUSNMDKP-VXKWHMMOSA-N 1 0 479.690 4.809 50 0 JJAARO CC(C)[N@H+](CCCNc1ccc(S(=O)(=O)Cc2ccc(Cl)cc2)nn1)C1CCCCC1 ZINC000064942938 519644219 /nfs/dbraw/zinc/64/42/19/519644219.db2.gz RWBYQSOGWBSRIO-UHFFFAOYSA-N 1 0 465.063 4.949 50 0 JJAARO CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021858775 519659759 /nfs/dbraw/zinc/65/97/59/519659759.db2.gz JMFXMXFRWQOVBE-SSEXGKCCSA-N 1 0 486.660 4.683 50 0 JJAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308304 519755848 /nfs/dbraw/zinc/75/58/48/519755848.db2.gz ZVMZHNFDDRTYME-AHWVRZQESA-N 1 0 493.648 4.894 50 0 JJAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146144 519757773 /nfs/dbraw/zinc/75/77/73/519757773.db2.gz UPZRZSCKZXRLSC-PKTZIBPZSA-N 1 0 482.518 4.873 50 0 JJAARO CC(C)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000022809822 519836794 /nfs/dbraw/zinc/83/67/94/519836794.db2.gz BWSOCKBQFOCZAT-MHZLTWQESA-N 1 0 467.613 4.849 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307728 519881343 /nfs/dbraw/zinc/88/13/43/519881343.db2.gz HKQQXNUHUKYEOK-JOCHJYFZSA-N 1 0 483.584 4.935 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146006 519881433 /nfs/dbraw/zinc/88/14/33/519881433.db2.gz BIGGIJGOPQQQFP-YADHBBJMSA-N 1 0 479.404 4.693 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302865 520095847 /nfs/dbraw/zinc/09/58/47/520095847.db2.gz QXXMTRLFEDSGNL-QHCPKHFHSA-N 1 0 479.621 4.845 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302046 520154627 /nfs/dbraw/zinc/15/46/27/520154627.db2.gz OKJGWVSKWKNPKX-JOCHJYFZSA-N 1 0 453.583 4.589 50 0 JJAARO CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1OC ZINC000022696227 520558507 /nfs/dbraw/zinc/55/85/07/520558507.db2.gz AOWAEJRCZRNETF-LBNVMWSVSA-N 1 0 477.649 4.687 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005585 520617157 /nfs/dbraw/zinc/61/71/57/520617157.db2.gz GTWDGMCEMUWQBN-NRFANRHFSA-N 1 0 490.648 4.831 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000021664246 520617696 /nfs/dbraw/zinc/61/76/96/520617696.db2.gz NMBNMUPRIDGNEY-HXUWFJFHSA-N 1 0 484.710 4.763 50 0 JJAARO CC[NH+](CC)CCCn1c(=O)c2sc3nc(C)cc(COC)c3c2nc1-c1ccccc1 ZINC000078546425 520638481 /nfs/dbraw/zinc/63/84/81/520638481.db2.gz DCZXCFXYYAJRTK-UHFFFAOYSA-N 1 0 450.608 4.860 50 0 JJAARO CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCC[NH+](CC)CC)c2ccccc21 ZINC000020438880 520665682 /nfs/dbraw/zinc/66/56/82/520665682.db2.gz ZOVYZMXSZYRFRY-QJOMJCCJSA-N 1 0 467.013 4.544 50 0 JJAARO CCCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016751516 520908858 /nfs/dbraw/zinc/90/88/58/520908858.db2.gz QRHJDEHXIBIHCV-QHCPKHFHSA-N 1 0 452.526 4.608 50 0 JJAARO CCCCSCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000009731700 520955650 /nfs/dbraw/zinc/95/56/50/520955650.db2.gz NAULWRCIIREYJW-UHFFFAOYSA-N 1 0 489.682 4.919 50 0 JJAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)NCc4ccccc4Cl)c4ccccc34)o2)CC1 ZINC000033278793 521028108 /nfs/dbraw/zinc/02/81/08/521028108.db2.gz PLWXIBBYADOAEH-UHFFFAOYSA-N 1 0 477.996 4.893 50 0 JJAARO CCC[C@]1(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000014885951 521315091 /nfs/dbraw/zinc/31/50/91/521315091.db2.gz BPGLRWXJATWHBR-LITSAYRRSA-N 1 0 475.633 4.835 50 0 JJAARO CCOc1ccccc1N1CC[NH+](C2CCN(c3cccc(NC(=O)c4cccnc4)c3)CC2)CC1 ZINC000014888983 521515754 /nfs/dbraw/zinc/51/57/54/521515754.db2.gz RRPUTGLIVJKACN-UHFFFAOYSA-N 1 0 485.632 4.524 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(Br)cc1)=N2 ZINC000045912816 521585361 /nfs/dbraw/zinc/58/53/61/521585361.db2.gz ZCBUVAFWXOKPTL-UHFFFAOYSA-N 1 0 485.451 4.834 50 0 JJAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000022804477 521629661 /nfs/dbraw/zinc/62/96/61/521629661.db2.gz VZHPGGJEBDHKNQ-UHFFFAOYSA-N 1 0 457.578 4.609 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)CSc1ccccc1 ZINC000034814876 521679585 /nfs/dbraw/zinc/67/95/85/521679585.db2.gz LCAYVOBALJBAHN-UHFFFAOYSA-N 1 0 491.705 4.854 50 0 JJAARO CC[NH+]1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCc4ccco4)cc3)n2)CC1 ZINC000036049750 521696188 /nfs/dbraw/zinc/69/61/88/521696188.db2.gz NWORTAPDSUQKOA-UHFFFAOYSA-N 1 0 479.650 4.557 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3ccccc3OC)c(=O)cc21 ZINC000008762031 522506945 /nfs/dbraw/zinc/50/69/45/522506945.db2.gz ULMAEDDFCQFEDA-NRFANRHFSA-N 1 0 476.573 4.567 50 0 biogenic JJAARO C[N@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)C1CCCCC1 ZINC000021864194 522744685 /nfs/dbraw/zinc/74/46/85/522744685.db2.gz BCGJPMQDBQEONH-MUUNZHRXSA-N 1 0 480.653 4.676 50 0 JJAARO COc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000016751513 522938813 /nfs/dbraw/zinc/93/88/13/522938813.db2.gz RZNCBDAYNWNKGR-RUZDIDTESA-N 1 0 496.579 4.863 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370987 523105531 /nfs/dbraw/zinc/10/55/31/523105531.db2.gz NFAWVCDHKYVBKD-DYESRHJHSA-N 1 0 488.510 4.845 50 0 JJAARO COc1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)o2)cc1Cl ZINC000016226915 523132024 /nfs/dbraw/zinc/13/20/24/523132024.db2.gz MUVKYTIEEZDCSG-UHFFFAOYSA-N 1 0 455.971 4.856 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461446 523167017 /nfs/dbraw/zinc/16/70/17/523167017.db2.gz UZYXYRPASISCEP-JOCHJYFZSA-N 1 0 467.683 4.615 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811098 523168646 /nfs/dbraw/zinc/16/86/46/523168646.db2.gz PZKXVMUUWQJJGR-OYIKJCJDSA-N 1 0 482.669 4.798 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)c(C)o2)cc1OC ZINC000009731694 523199882 /nfs/dbraw/zinc/19/98/82/523199882.db2.gz YDEUSNCCPXYYPD-UHFFFAOYSA-N 1 0 498.023 4.892 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccc(C)cc4)CC3)c(C)o2)cc1OC ZINC000008597366 523201615 /nfs/dbraw/zinc/20/16/15/523201615.db2.gz JMFUVTYHKMPWHA-UHFFFAOYSA-N 1 0 463.578 4.504 50 0 JJAARO C[N@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCOC(C)(C)C2)c1)Cc1cccc2cccnc21 ZINC000014975963 523317731 /nfs/dbraw/zinc/31/77/31/523317731.db2.gz SDYQUDGZJARTDS-HSZRJFAPSA-N 1 0 461.606 4.567 50 0 JJAARO COCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014751453 523363075 /nfs/dbraw/zinc/36/30/75/523363075.db2.gz AKMGEBGGCLVENB-WUFINQPMSA-N 1 0 499.655 4.558 50 0 JJAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cc3ncccn3n2)cc1 ZINC000012279621 523447973 /nfs/dbraw/zinc/44/79/73/523447973.db2.gz HNKFHUHXOFICNZ-JOCHJYFZSA-N 1 0 489.645 4.887 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3cccc(OC)c3)N(C)C(=O)c3ccccn3)CC2)c1C ZINC000014991728 523642413 /nfs/dbraw/zinc/64/24/13/523642413.db2.gz HWDIRPJFYNVOIH-NDEPHWFRSA-N 1 0 489.664 4.519 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036305758 523734732 /nfs/dbraw/zinc/73/47/32/523734732.db2.gz IVHVOVONTCXTFE-JOCHJYFZSA-N 1 0 497.636 4.512 50 0 JJAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)o1 ZINC000014748337 523924949 /nfs/dbraw/zinc/92/49/49/523924949.db2.gz IEGXWABJUORIMI-UHFFFAOYSA-N 1 0 486.616 4.669 50 0 JJAARO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCCC4)c3)C2)cc1 ZINC000033035625 523980356 /nfs/dbraw/zinc/98/03/56/523980356.db2.gz RAMXBVSZEOZMDN-VWLOTQADSA-N 1 0 462.638 4.876 50 0 JJAARO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([N@@H+]2CCc3ccccc3C2)C4)cc1 ZINC000014994168 523987820 /nfs/dbraw/zinc/98/78/20/523987820.db2.gz KROPBPDWETUOSO-QFIPXVFZSA-N 1 0 471.626 4.625 50 0 JJAARO COc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)c2ccccc12 ZINC000014879520 524024025 /nfs/dbraw/zinc/02/40/25/524024025.db2.gz RUBDMHJFLULVGS-SANMLTNESA-N 1 0 463.603 4.633 50 0 JJAARO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccs2)CC3)c1 ZINC000014993678 524369475 /nfs/dbraw/zinc/36/94/75/524369475.db2.gz GKIOWWZDPMAAFM-JOCHJYFZSA-N 1 0 451.640 4.532 50 0 JJAARO Cc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000036065538 524422570 /nfs/dbraw/zinc/42/25/70/524422570.db2.gz LIJCULXMOXKCPS-UHFFFAOYSA-N 1 0 488.554 4.804 50 0 JJAARO COc1ccccc1CC[NH2+]C1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000012247021 524422935 /nfs/dbraw/zinc/42/29/35/524422935.db2.gz FLEZWFRLDCFKAU-QFIPXVFZSA-N 1 0 457.618 4.987 50 0 JJAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)c(C)c1 ZINC000014541212 524442397 /nfs/dbraw/zinc/44/23/97/524442397.db2.gz LXTQLTKOVOFLFQ-UHFFFAOYSA-N 1 0 482.628 4.740 50 0 JJAARO COc1ccccc1C[NH+]1CCC([C@]2(CC(C)C)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000012213700 524449782 /nfs/dbraw/zinc/44/97/82/524449782.db2.gz MKGLQFJIVMTCST-SANMLTNESA-N 1 0 469.651 4.548 50 0 JJAARO Cc1ccc(CNc2ncnc3sc(C(=O)N[C@@H]4CC[N@H+](Cc5ccccc5)C4)c(C)c32)o1 ZINC000012218052 524621827 /nfs/dbraw/zinc/62/18/27/524621827.db2.gz UAXSGEIMBCDJLI-LJQANCHMSA-N 1 0 461.591 4.518 50 0 JJAARO C[C@@H](CNC(=O)Cc1ccsc1)Oc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014982610 524659891 /nfs/dbraw/zinc/65/98/91/524659891.db2.gz UEKGJACVBQFIBV-FQEVSTJZSA-N 1 0 484.065 4.850 50 0 JJAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1cc(NC(=O)c2ccccn2)cc(C(=O)N(C)C)c1 ZINC000020272682 524710492 /nfs/dbraw/zinc/71/04/92/524710492.db2.gz UQAYQKWZFWILJS-QGZVFWFLSA-N 1 0 484.522 4.775 50 0 JJAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4cc(Br)ccc4c3)CC2)c(C)c1 ZINC000016319394 524963307 /nfs/dbraw/zinc/96/33/07/524963307.db2.gz JWAZZBGPJFOMSM-HSZRJFAPSA-N 1 0 469.423 4.781 50 0 JJAARO Cc1ccccc1-c1cccc(C[NH2+]Cc2cc(NS(C)(=O)=O)cc(C(=O)N3CCCCC3)c2)c1 ZINC000012278765 525006110 /nfs/dbraw/zinc/00/61/10/525006110.db2.gz QIQRIWAAKLJIFV-UHFFFAOYSA-N 1 0 491.657 4.949 50 0 JJAARO Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000033289184 525324994 /nfs/dbraw/zinc/32/49/94/525324994.db2.gz KFXSZBYSWGQDIZ-DEOSSOPVSA-N 1 0 485.632 4.575 50 0 JJAARO Cc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4ccsc4)c3)CC2)cc1 ZINC000014886002 525522921 /nfs/dbraw/zinc/52/29/21/525522921.db2.gz VCPWNTFMXCDOGU-UHFFFAOYSA-N 1 0 470.660 4.921 50 0 JJAARO COc1ccc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000014980696 525630829 /nfs/dbraw/zinc/63/08/29/525630829.db2.gz RWOJPJMNMBMHBC-UHFFFAOYSA-N 1 0 462.933 4.730 50 0 JJAARO Cc1cc2sc(N3CCC[C@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000020383833 525701348 /nfs/dbraw/zinc/70/13/48/525701348.db2.gz DFVHFVUFBFFLRG-QFIPXVFZSA-N 1 0 462.663 4.910 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021810672 525792623 /nfs/dbraw/zinc/79/26/23/525792623.db2.gz XEBLZYQJJYVDKK-LJAQVGFWSA-N 1 0 488.632 4.562 50 0 JJAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)o1 ZINC000014741491 525876383 /nfs/dbraw/zinc/87/63/83/525876383.db2.gz XISGYCFVAHFNFL-JOCHJYFZSA-N 1 0 486.616 4.976 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](C4Cc5ccccc5C4)CC3)C2=O)c1 ZINC000014733837 525928674 /nfs/dbraw/zinc/92/86/74/525928674.db2.gz NFUWQLDGZIWJBK-UHFFFAOYSA-N 1 0 475.633 4.508 50 0 JJAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)c1 ZINC000014749319 525934139 /nfs/dbraw/zinc/93/41/39/525934139.db2.gz RHEGRKFWPMBGLK-UHFFFAOYSA-N 1 0 483.612 4.737 50 0 JJAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014995501 526072649 /nfs/dbraw/zinc/07/26/49/526072649.db2.gz JIAFHGLPDBYHKR-NDEPHWFRSA-N 1 0 485.628 4.621 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305615 526241313 /nfs/dbraw/zinc/24/13/13/526241313.db2.gz JOMOONWWQWXPIR-QHCPKHFHSA-N 1 0 479.621 4.886 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864606 526248529 /nfs/dbraw/zinc/24/85/29/526248529.db2.gz JFHDDFHUZBUMGE-KMRXNPHXSA-N 1 0 480.653 4.676 50 0 JJAARO Cc1ccc2[nH]c(N3CCC(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)CC3)nc2c1 ZINC000033070847 526251669 /nfs/dbraw/zinc/25/16/69/526251669.db2.gz JEORXBCNDXZNGG-UHFFFAOYSA-N 1 0 480.056 4.770 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146395 526285931 /nfs/dbraw/zinc/28/59/31/526285931.db2.gz CNPGBJQSGNXOQF-UIOOFZCWSA-N 1 0 466.528 4.538 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146530 526287430 /nfs/dbraw/zinc/28/74/30/526287430.db2.gz AGJKXWSYWWOTJH-UPVQGACJSA-N 1 0 454.954 4.506 50 0 JJAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002166 526310313 /nfs/dbraw/zinc/31/03/13/526310313.db2.gz BCJSADBVDSMMIS-UHFFFAOYSA-N 1 0 492.067 4.821 50 0 JJAARO O[C@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440863 526318519 /nfs/dbraw/zinc/31/85/19/526318519.db2.gz GKWKQOZLNYGLLH-LOSJGSFVSA-N 1 0 452.392 4.801 50 0 JJAARO Cc1csc(C[N@@H+](C)[C@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)n1 ZINC000014990484 526341061 /nfs/dbraw/zinc/34/10/61/526341061.db2.gz UYJPPGSIPUQJLA-SFHVURJKSA-N 1 0 468.623 4.594 50 0 JJAARO Cc1csc(C[N@@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5cccc(F)c5)c(=O)c34)C2)n1 ZINC000014990482 526342555 /nfs/dbraw/zinc/34/25/55/526342555.db2.gz UYJPPGSIPUQJLA-GOSISDBHSA-N 1 0 468.623 4.594 50 0 JJAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000012247126 526344626 /nfs/dbraw/zinc/34/46/26/526344626.db2.gz IIEODVKUYIYMSS-QHCPKHFHSA-N 1 0 467.614 4.663 50 0 JJAARO O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)NCCC[NH+]1CCCCC1 ZINC000033115982 526366504 /nfs/dbraw/zinc/36/65/04/526366504.db2.gz VIQKVSADYMUNJG-UHFFFAOYSA-N 1 0 488.632 4.729 50 0 JJAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000065314981 526517394 /nfs/dbraw/zinc/51/73/94/526517394.db2.gz BJSVXUCZIJHHDX-DEOSSOPVSA-N 1 0 466.025 4.850 50 0 JJAARO Cc1nc(C(=O)NC[C@H](C)Oc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)cs1 ZINC000014995713 526649683 /nfs/dbraw/zinc/64/96/83/526649683.db2.gz RUZICTILIMOVEH-SFHVURJKSA-N 1 0 485.053 4.624 50 0 JJAARO O=C(C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309647 526698056 /nfs/dbraw/zinc/69/80/56/526698056.db2.gz JWRVLCRQHWDRQV-IZZNHLLZSA-N 1 0 494.632 4.838 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000012457252 526712356 /nfs/dbraw/zinc/71/23/56/526712356.db2.gz PJYIWLINNHBRKD-UHFFFAOYSA-N 1 0 483.534 4.778 50 0 JJAARO O=C(c1ccccc1)N1CCC[C@@H](c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000033034999 526792121 /nfs/dbraw/zinc/79/21/21/526792121.db2.gz RBPLSCTWVRGKBX-AREMUKBSSA-N 1 0 459.634 4.797 50 0 JJAARO Cc1occc1C(=O)N(C)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012338162 526802778 /nfs/dbraw/zinc/80/27/78/526802778.db2.gz MHJQNGUNYJDPQO-AREMUKBSSA-N 1 0 474.601 4.955 50 0 JJAARO O=C(c1ccccn1)N([C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1)C1CC1 ZINC000014994094 526813118 /nfs/dbraw/zinc/81/31/18/526813118.db2.gz WBJVNQROISPNDF-NDEPHWFRSA-N 1 0 455.602 4.915 50 0 JJAARO O=C(C[NH2+]Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000016192888 526884513 /nfs/dbraw/zinc/88/45/13/526884513.db2.gz JSZMGORTWIPYMA-UHFFFAOYSA-N 1 0 484.419 4.980 50 0 JJAARO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000020521964 527017638 /nfs/dbraw/zinc/01/76/38/527017638.db2.gz UTBWRNDPDWQQFY-MUUNZHRXSA-N 1 0 452.598 4.901 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2c(F)cccc2F)C4)cs1 ZINC000020210333 527036695 /nfs/dbraw/zinc/03/66/95/527036695.db2.gz SAGLBTIJVXPDJN-TZMCWYRMSA-N 1 0 472.586 4.758 50 0 JJAARO O=C(Nc1ccc(N2CCC([NH2+]Cc3cccc(-n4cccn4)c3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000014887315 527221452 /nfs/dbraw/zinc/22/14/52/527221452.db2.gz NNNPSRIWIKMOGE-UHFFFAOYSA-N 1 0 495.583 4.612 50 0 JJAARO O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000020428672 527265431 /nfs/dbraw/zinc/26/54/31/527265431.db2.gz DKIKFLHUYOXPCI-UHFFFAOYSA-N 1 0 463.858 4.922 50 0 JJAARO O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)NCc1cccc(Cl)c1 ZINC000021707539 527364284 /nfs/dbraw/zinc/36/42/84/527364284.db2.gz JWDIAWLELCMEKF-UHFFFAOYSA-N 1 0 463.969 4.647 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000035457335 527608816 /nfs/dbraw/zinc/60/88/16/527608816.db2.gz NGLUIWOEQSWTDU-UHFFFAOYSA-N 1 0 477.584 4.508 50 0 JJAARO O=C(NCCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1sc2ncccc2c1-n1cccc1 ZINC000033267648 527657254 /nfs/dbraw/zinc/65/72/54/527657254.db2.gz OTMUACOTMVJKAK-IBGZPJMESA-N 1 0 480.659 4.950 50 0 JJAARO O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000008616590 527659414 /nfs/dbraw/zinc/65/94/14/527659414.db2.gz OKZSJXYQJTVLKR-QGZVFWFLSA-N 1 0 496.858 4.664 50 0 JJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968187 527666746 /nfs/dbraw/zinc/66/67/46/527666746.db2.gz TYGZDQVGFJUNSI-UHFFFAOYSA-N 1 0 474.649 4.683 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611172 527668097 /nfs/dbraw/zinc/66/80/97/527668097.db2.gz KNGXDMGNWUBXJG-UHFFFAOYSA-N 1 0 468.601 4.555 50 0 JJAARO O[C@@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440859 527680486 /nfs/dbraw/zinc/68/04/86/527680486.db2.gz GKWKQOZLNYGLLH-DQEYMECFSA-N 1 0 452.392 4.801 50 0 JJAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O ZINC000000718619 553770711 /nfs/dbraw/zinc/77/07/11/553770711.db2.gz UDRJPFOVXLSABQ-QFIPXVFZSA-N 1 0 483.531 4.758 50 0 JJAARO CCOc1ccc(-c2nc3cc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)ccc3[nH]2)cc1 ZINC000002047214 554009886 /nfs/dbraw/zinc/00/98/86/554009886.db2.gz PRDFBSVERLRRMY-UHFFFAOYSA-N 1 0 452.562 4.924 50 0 investigational JJAARO CC[NH+](CC)CCCN1CC(=O)N2[C@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002095792 554040316 /nfs/dbraw/zinc/04/03/16/554040316.db2.gz CYRJFSLVTWAUNE-LITSAYRRSA-N 1 0 486.660 4.708 50 0 biogenic JJAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000002201998 554091276 /nfs/dbraw/zinc/09/12/76/554091276.db2.gz MWPDSDDFEAWXEZ-SXOMAYOGSA-N 1 0 482.540 4.825 50 0 JJAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000002861643 554388286 /nfs/dbraw/zinc/38/82/86/554388286.db2.gz YBTUSMAEEWIFBV-UHFFFAOYSA-N 1 0 483.834 4.502 50 0 JJAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002890334 554408724 /nfs/dbraw/zinc/40/87/24/554408724.db2.gz ADVHGVUUHSNHOJ-JOCHJYFZSA-N 1 0 454.954 4.732 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000002890303 554408738 /nfs/dbraw/zinc/40/87/38/554408738.db2.gz YXPWMTKWXVXPDS-LJQANCHMSA-N 1 0 475.770 4.706 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000002890287 554408743 /nfs/dbraw/zinc/40/87/43/554408743.db2.gz CQWNGDUNMGGXTN-QFIPXVFZSA-N 1 0 454.954 4.732 50 0 JJAARO Cc1ccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000008913338 554805055 /nfs/dbraw/zinc/80/50/55/554805055.db2.gz RMECQASISMXCPW-UHFFFAOYSA-N 1 0 485.657 4.906 50 0 JJAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1cccs1 ZINC000008993929 554854066 /nfs/dbraw/zinc/85/40/66/554854066.db2.gz PSOQJOXUKRIWSB-QFIPXVFZSA-N 1 0 484.087 4.892 50 0 JJAARO Cc1ccc(C)c(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4C)c3C3CC[NH2+]CC3)CC2)c1 ZINC000009227470 555000251 /nfs/dbraw/zinc/00/02/51/555000251.db2.gz HHCVFKSYPVJLEV-UHFFFAOYSA-N 1 0 492.067 4.880 50 0 JJAARO CCOc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000009265343 555041103 /nfs/dbraw/zinc/04/11/03/555041103.db2.gz ISCNSWIBULQIBX-UHFFFAOYSA-N 1 0 475.545 4.881 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)CC1 ZINC000009265405 555041333 /nfs/dbraw/zinc/04/13/33/555041333.db2.gz MAGZNFBJVIPDQX-UHFFFAOYSA-N 1 0 477.605 4.577 50 0 JJAARO CSc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCCCC2)c1 ZINC000009274379 555046882 /nfs/dbraw/zinc/04/68/82/555046882.db2.gz VZOATZYSCSBDOT-UHFFFAOYSA-N 1 0 488.704 4.787 50 0 JJAARO Cc1ccc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Br)cc2)c1 ZINC000009291766 555066262 /nfs/dbraw/zinc/06/62/62/555066262.db2.gz DXZXMSLKMVTYLS-UHFFFAOYSA-N 1 0 468.380 4.926 50 0 JJAARO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000009344868 555110345 /nfs/dbraw/zinc/11/03/45/555110345.db2.gz XNJLZUVTTLNRHS-AZGAKELHSA-N 1 0 452.514 4.816 50 0 JJAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000009406283 555166521 /nfs/dbraw/zinc/16/65/21/555166521.db2.gz JADOAHTYYYTKPZ-UHFFFAOYSA-N 1 0 495.671 4.775 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009432393 555201517 /nfs/dbraw/zinc/20/15/17/555201517.db2.gz KEVATEMXSRYOAY-KAYWLYCHSA-N 1 0 487.669 4.995 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433702 555204056 /nfs/dbraw/zinc/20/40/56/555204056.db2.gz RRKXINANZRDBNY-RPBOFIJWSA-N 1 0 465.663 4.964 50 0 JJAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009497660 555282070 /nfs/dbraw/zinc/28/20/70/555282070.db2.gz NQBNIUNDIFPQCP-FQEVSTJZSA-N 1 0 456.384 4.813 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000009634752 555340465 /nfs/dbraw/zinc/34/04/65/555340465.db2.gz DJHGHMAEAMZRER-QHCPKHFHSA-N 1 0 469.944 4.773 50 0 JJAARO CCOc1ccccc1NC(=O)Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21 ZINC000013353766 555381935 /nfs/dbraw/zinc/38/19/35/555381935.db2.gz XGMHCFNSBFXWME-UHFFFAOYSA-N 1 0 459.550 4.715 50 0 JJAARO O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000013369094 555390724 /nfs/dbraw/zinc/39/07/24/555390724.db2.gz ILFFRQDWAUGGRH-UHFFFAOYSA-N 1 0 458.993 4.921 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674011 555398763 /nfs/dbraw/zinc/39/87/63/555398763.db2.gz GLKJWGXWJNOWMR-HXUWFJFHSA-N 1 0 462.638 4.993 50 0 JJAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000009598004 555415341 /nfs/dbraw/zinc/41/53/41/555415341.db2.gz ZJKLNCOOAYOMNM-VXKWHMMOSA-N 1 0 493.696 4.736 50 0 JJAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000009731660 555468727 /nfs/dbraw/zinc/46/87/27/555468727.db2.gz XZENHNWEAKIQGU-UHFFFAOYSA-N 1 0 475.438 4.802 50 0 JJAARO Cc1ccc(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1NC(=O)C1=CSCCO1 ZINC000009739864 555471372 /nfs/dbraw/zinc/47/13/72/555471372.db2.gz USEODKMLPVHDGJ-UHFFFAOYSA-N 1 0 493.673 4.613 50 0 JJAARO COc1cc2nc(NCCC[N@@H+]3CCCC[C@@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831151 555532834 /nfs/dbraw/zinc/53/28/34/555532834.db2.gz MEHXYFPTGJQQSG-SFHVURJKSA-N 1 0 460.582 4.638 50 0 JJAARO CCCC[NH+](CCCC)CCCNC(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1 ZINC000009833440 555536134 /nfs/dbraw/zinc/53/61/34/555536134.db2.gz LVYWVMCNZZRAQN-UHFFFAOYSA-N 1 0 491.636 4.571 50 0 JJAARO C[NH+](C)CCCN1C(=S)N=NC1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000020028576 555603824 /nfs/dbraw/zinc/60/38/24/555603824.db2.gz MDIOIQRBGVRWAR-GOEBONIOSA-N 1 0 485.967 4.696 50 0 JJAARO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1ccc(Br)cc1 ZINC000010059074 555609129 /nfs/dbraw/zinc/60/91/29/555609129.db2.gz UHZPJDUYGINEOT-NRFANRHFSA-N 1 0 478.350 4.674 50 0 JJAARO O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010089385 555617318 /nfs/dbraw/zinc/61/73/18/555617318.db2.gz QLZSFXNLENEAMQ-UHFFFAOYSA-N 1 0 489.670 4.869 50 0 JJAARO COc1ccccc1Nc1c2cc(NC(=O)CCN3CCOCC3)ccc2[nH+]c2c1CCCC2 ZINC000020105339 555638762 /nfs/dbraw/zinc/63/87/62/555638762.db2.gz IOJFMVFADBZXEI-UHFFFAOYSA-N 1 0 460.578 4.527 50 0 JJAARO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000013960542 555663818 /nfs/dbraw/zinc/66/38/18/555663818.db2.gz WHGRZLYSJYUADE-AREMUKBSSA-N 1 0 461.606 4.545 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181208 555687916 /nfs/dbraw/zinc/68/79/16/555687916.db2.gz HXNVGLQVDKZJJA-CSGQPYJXSA-N 1 0 481.637 4.790 50 0 JJAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+](CC)CC)C2=O)cc1 ZINC000020181601 555688922 /nfs/dbraw/zinc/68/89/22/555688922.db2.gz WMMPHBPNNDGVRR-HKOYGPOVSA-N 1 0 451.636 4.577 50 0 JJAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+]3CCCCCC3)C2=O)cc1 ZINC000020181655 555689153 /nfs/dbraw/zinc/68/91/53/555689153.db2.gz WLJBDOWSXAHKKT-NCELDCMTSA-N 1 0 463.647 4.721 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2c(F)cccc2F)C4)cs1 ZINC000020210323 555703006 /nfs/dbraw/zinc/70/30/06/555703006.db2.gz SAGLBTIJVXPDJN-JSGCOSHPSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(F)c2)C4)cs1 ZINC000020212228 555705372 /nfs/dbraw/zinc/70/53/72/555705372.db2.gz KHSULEJEDUEVFC-SUMWQHHRSA-N 1 0 454.596 4.618 50 0 JJAARO C[C@@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cccc2ccccc21 ZINC000014142343 555707866 /nfs/dbraw/zinc/70/78/66/555707866.db2.gz LVQGXQWSPJWOPJ-QGZVFWFLSA-N 1 0 472.010 4.567 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000020233674 555724585 /nfs/dbraw/zinc/72/45/85/555724585.db2.gz VTRMGWCMUAFSQP-SFHVURJKSA-N 1 0 470.639 4.703 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)c(C)o2)cc1OC ZINC000020240697 555736215 /nfs/dbraw/zinc/73/62/15/555736215.db2.gz OQNZRQSKSQNDPF-UHFFFAOYSA-N 1 0 467.610 4.886 50 0 JJAARO Cc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1NC(=O)c1ccco1 ZINC000014240659 555741367 /nfs/dbraw/zinc/74/13/67/555741367.db2.gz VGNUCSIXXBOBRC-JOCHJYFZSA-N 1 0 459.546 4.558 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cc2)CC1 ZINC000010865534 555744201 /nfs/dbraw/zinc/74/42/01/555744201.db2.gz RQRJBYUAERZHFH-AREMUKBSSA-N 1 0 455.558 4.535 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2C)CC1 ZINC000011323872 555772548 /nfs/dbraw/zinc/77/25/48/555772548.db2.gz HRGWOGGGVTWFFA-UHFFFAOYSA-N 1 0 462.594 4.502 50 0 JJAARO Fc1ccc(-c2nnc3ccc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nn32)cc1 ZINC000020355791 555784461 /nfs/dbraw/zinc/78/44/61/555784461.db2.gz DHUNHNKQBPCBJX-UHFFFAOYSA-N 1 0 464.548 4.842 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)[NH+]2CCCC2)c1 ZINC000011563444 555787593 /nfs/dbraw/zinc/78/75/93/555787593.db2.gz FLXVHRWLGDYPCH-VWLOTQADSA-N 1 0 468.557 4.979 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000020532330 555802019 /nfs/dbraw/zinc/80/20/19/555802019.db2.gz KJRHVPWJAZEJFF-UHFFFAOYSA-N 1 0 489.620 4.737 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccs2)CC1 ZINC000014515153 555816277 /nfs/dbraw/zinc/81/62/77/555816277.db2.gz MXPHNUVUNINGFO-JOCHJYFZSA-N 1 0 474.070 4.843 50 0 JJAARO O=C(CC1=CCCCC1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CC[NH+]2CCCCC2)C1 ZINC000014530349 555816933 /nfs/dbraw/zinc/81/69/33/555816933.db2.gz UDVPZLXASZDGMC-UHFFFAOYSA-N 1 0 477.624 4.916 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](C[C@@H]3CC=CCC3)CC2)N1CCc1ccccc1 ZINC000014531440 555818610 /nfs/dbraw/zinc/81/86/10/555818610.db2.gz LLXNUYKTWBPVAN-RUZDIDTESA-N 1 0 457.618 4.884 50 0 JJAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2ccc(C)cc2C)CC3)cc1 ZINC000014532183 555819906 /nfs/dbraw/zinc/81/99/06/555819906.db2.gz DZMCVIWVWMELDY-UHFFFAOYSA-N 1 0 463.622 4.562 50 0 JJAARO O=C(NC[C@@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)c1ccc(N2CCCC2)cc1 ZINC000011786992 555820548 /nfs/dbraw/zinc/82/05/48/555820548.db2.gz KCBPSRDCHGEXRP-MHZLTWQESA-N 1 0 461.650 4.663 50 0 JJAARO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](CCc3ccccc3)C2)cc1 ZINC000014533364 555821628 /nfs/dbraw/zinc/82/16/28/555821628.db2.gz OTRTWSHDMUVBSD-URLMMPGGSA-N 1 0 495.667 4.919 50 0 JJAARO Cc1cc(C)cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)c1 ZINC000014533472 555821683 /nfs/dbraw/zinc/82/16/83/555821683.db2.gz MUMMHDONOBWUFX-UHFFFAOYSA-N 1 0 482.628 4.740 50 0 JJAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014533784 555821980 /nfs/dbraw/zinc/82/19/80/555821980.db2.gz JMFYBRUYHLSBED-UHFFFAOYSA-N 1 0 486.641 4.596 50 0 JJAARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000011788136 555822477 /nfs/dbraw/zinc/82/24/77/555822477.db2.gz YXZAPIPJPMDJPW-FQEVSTJZSA-N 1 0 463.607 4.661 50 0 JJAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)C1=O ZINC000014534014 555822584 /nfs/dbraw/zinc/82/25/84/555822584.db2.gz RKWNFPZBPUBAOO-UHFFFAOYSA-N 1 0 499.611 4.924 50 0 JJAARO COCCCNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534749 555823679 /nfs/dbraw/zinc/82/36/79/555823679.db2.gz FEDIOANPLMEVBO-PWUYWRBVSA-N 1 0 486.656 4.998 50 0 JJAARO Cc1nonc1CN(C)C(=O)[C@H]1CC12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000011789122 555823964 /nfs/dbraw/zinc/82/39/64/555823964.db2.gz GFJWEWIYOHWXOP-LJQANCHMSA-N 1 0 454.958 4.552 50 0 JJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12 ZINC000020574584 555829043 /nfs/dbraw/zinc/82/90/43/555829043.db2.gz ZANIPQLQIJRQIW-UHFFFAOYSA-N 1 0 454.372 4.702 50 0 JJAARO COc1ccccc1C[NH+]1CCC([C@@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000011813570 555829171 /nfs/dbraw/zinc/82/91/71/555829171.db2.gz MBJXLGCXWFFLLT-HHHXNRCGSA-N 1 0 482.024 4.504 50 0 JJAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](C3CCCCC3)CC2)N1Cc1ccccc1 ZINC000014540005 555830032 /nfs/dbraw/zinc/83/00/32/555830032.db2.gz PHDGJDKNCIKVPQ-UHFFFAOYSA-N 1 0 460.622 4.646 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](C1CCCCC1)CC2 ZINC000014540930 555831014 /nfs/dbraw/zinc/83/10/14/555831014.db2.gz AXAFHWWLPZUTOG-UHFFFAOYSA-N 1 0 463.622 4.808 50 0 JJAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014540966 555831409 /nfs/dbraw/zinc/83/14/09/555831409.db2.gz PYVCOPOAQNTZLX-UHFFFAOYSA-N 1 0 474.605 4.715 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCc1nc(-c2ccccc2)cs1 ZINC000011839929 555832852 /nfs/dbraw/zinc/83/28/52/555832852.db2.gz SMDGRXMSTCQHPV-NRFANRHFSA-N 1 0 453.583 4.541 50 0 JJAARO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)c1OC ZINC000011841376 555833865 /nfs/dbraw/zinc/83/38/65/555833865.db2.gz VNUVPGZGJDXCQC-XMMPIXPASA-N 1 0 462.634 4.934 50 0 JJAARO CCOC(=O)N1CCC(NC(=O)[C@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000011880961 555849309 /nfs/dbraw/zinc/84/93/09/555849309.db2.gz YGDRBGALDXCFKB-AREMUKBSSA-N 1 0 491.632 4.818 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(C(F)(F)F)cc1 ZINC000015004443 555849471 /nfs/dbraw/zinc/84/94/71/555849471.db2.gz LQINTNZMJLOVAL-KRWDZBQOSA-N 1 0 454.876 4.758 50 0 JJAARO CCOc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3cccc(C(F)(F)F)c3)CC2)ccc1O ZINC000011882099 555850632 /nfs/dbraw/zinc/85/06/32/555850632.db2.gz BFBCSEMJIOVHDE-FQEVSTJZSA-N 1 0 462.512 4.728 50 0 JJAARO COc1ccc(/C=C/C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)cc1 ZINC000011909060 555856278 /nfs/dbraw/zinc/85/62/78/555856278.db2.gz RUKWVIUGMVXJJQ-KSYRPNBMSA-N 1 0 472.585 4.835 50 0 JJAARO COc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)c1OC ZINC000011909815 555856770 /nfs/dbraw/zinc/85/67/70/555856770.db2.gz WDSMAIUJADOFCT-LJQANCHMSA-N 1 0 451.592 4.863 50 0 JJAARO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccc(C)cc2)C4)c1 ZINC000015067371 555867544 /nfs/dbraw/zinc/86/75/44/555867544.db2.gz JZSGZAZNJHSJMS-NRFANRHFSA-N 1 0 459.615 4.665 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N3CC[NH+](C4CCCC4)CC3)c2C(C)C)nc1-c1ccc(F)cc1 ZINC000015071416 555870501 /nfs/dbraw/zinc/87/05/01/555870501.db2.gz JBVNIBBVSJYULE-UHFFFAOYSA-N 1 0 476.600 4.601 50 0 JJAARO O=C([C@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2)N1CCN(c2ccccc2)CC1 ZINC000011963907 555870563 /nfs/dbraw/zinc/87/05/63/555870563.db2.gz FJUDRWSFTQPXOR-HSZRJFAPSA-N 1 0 457.540 4.656 50 0 JJAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)C2CCC2)C3)s1 ZINC000011965306 555871660 /nfs/dbraw/zinc/87/16/60/555871660.db2.gz WEACPQHCSKGHJA-LJQANCHMSA-N 1 0 454.636 4.965 50 0 JJAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3ccc(C(=O)NCc4ccccc4F)cc3)CC2)cs1 ZINC000012036640 555889791 /nfs/dbraw/zinc/88/97/91/555889791.db2.gz UPOMAISHBUNVMO-QGZVFWFLSA-N 1 0 452.599 4.840 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)cc3n2)cc1 ZINC000015319779 555897641 /nfs/dbraw/zinc/89/76/41/555897641.db2.gz PVOVSLQURVPQML-UWJYYQICSA-N 1 0 488.510 4.845 50 0 JJAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC000012097282 555904809 /nfs/dbraw/zinc/90/48/09/555904809.db2.gz IVGCLBWLLANCQT-JOCHJYFZSA-N 1 0 483.672 4.615 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc(Br)s1)c1nc2cc3c(cc2s1)OCO3 ZINC000012140877 555919868 /nfs/dbraw/zinc/91/98/68/555919868.db2.gz OYZKSMJDOXFVMK-UHFFFAOYSA-N 1 0 482.425 4.838 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1C ZINC000012183846 555936075 /nfs/dbraw/zinc/93/60/75/555936075.db2.gz IQBHJXSOFOBESK-RUZDIDTESA-N 1 0 484.591 4.987 50 0 JJAARO CCn1cc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)c(C)n1 ZINC000012196385 555942378 /nfs/dbraw/zinc/94/23/78/555942378.db2.gz YEAZICLEKMRYSV-DEOSSOPVSA-N 1 0 450.652 4.868 50 0 JJAARO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cc3cc4c(cc3nc2-c2cccc(C)c2)CCC4)n(C)n1 ZINC000012243302 555946656 /nfs/dbraw/zinc/94/66/56/555946656.db2.gz IZACZKJSUUSYEQ-UHFFFAOYSA-N 1 0 481.644 4.945 50 0 JJAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015681640 555951190 /nfs/dbraw/zinc/95/11/90/555951190.db2.gz POADATVWMNNDOY-UHFFFAOYSA-N 1 0 457.553 4.505 50 0 JJAARO COc1ccccc1N1CC[NH+](CCCCNC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000012369311 555961242 /nfs/dbraw/zinc/96/12/42/555961242.db2.gz JUJHNQGTDGBXGB-UHFFFAOYSA-N 1 0 467.466 4.891 50 0 JJAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000015732325 555976711 /nfs/dbraw/zinc/97/67/11/555976711.db2.gz OUFKKVMEQPQSRS-UHFFFAOYSA-N 1 0 450.652 4.762 50 0 JJAARO O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022925328 555977301 /nfs/dbraw/zinc/97/73/01/555977301.db2.gz VRTWWPINGHHZRQ-UHFFFAOYSA-N 1 0 489.566 4.748 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)C1=Cc2cc(Br)ccc2OC1 ZINC000015786381 556005521 /nfs/dbraw/zinc/00/55/21/556005521.db2.gz DAEHZVORNAGYIU-UHFFFAOYSA-N 1 0 469.423 4.686 50 0 JJAARO CC(C)[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](O)COCc1ccccc1Cl ZINC000012550215 556030998 /nfs/dbraw/zinc/03/09/98/556030998.db2.gz DQYQYRAEMPPNHJ-XZOQPEGZSA-N 1 0 457.998 4.521 50 0 JJAARO CSc1ncc(C[NH2+]CCc2cccc(Cl)c2)c(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000023335071 556044230 /nfs/dbraw/zinc/04/42/30/556044230.db2.gz JZMKQUAOHRRBJK-UHFFFAOYSA-N 1 0 472.033 4.650 50 0 JJAARO CSc1ncc(C[NH2+]CCc2ccccc2Cl)c(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000023335445 556044843 /nfs/dbraw/zinc/04/48/43/556044843.db2.gz WYMODBIMZQDCLQ-UHFFFAOYSA-N 1 0 472.033 4.650 50 0 JJAARO COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000023336332 556046078 /nfs/dbraw/zinc/04/60/78/556046078.db2.gz ULEPVJFZOWOONJ-IBGZPJMESA-N 1 0 458.606 4.845 50 0 JJAARO CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2C1 ZINC000015868764 556046788 /nfs/dbraw/zinc/04/67/88/556046788.db2.gz QULGDFAAQOTIEB-UHFFFAOYSA-N 1 0 496.051 4.737 50 0 JJAARO CCOC(=O)c1c(NC(=O)[C@H](NCCC[NH+](CC)CC)c2ccccc2)sc2c1CCCC2 ZINC000012565745 556063188 /nfs/dbraw/zinc/06/31/88/556063188.db2.gz IAHUYHWZBMQYTM-HSZRJFAPSA-N 1 0 471.667 4.805 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)CC1 ZINC000015942809 556077934 /nfs/dbraw/zinc/07/79/34/556077934.db2.gz XIFPAVFHQCVSCN-UHFFFAOYSA-N 1 0 481.568 4.787 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000015947164 556084697 /nfs/dbraw/zinc/08/46/97/556084697.db2.gz UBQIRKHVANBIFP-HXUWFJFHSA-N 1 0 469.588 4.844 50 0 JJAARO CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](CC)C5)o2)cc1 ZINC000015947301 556085205 /nfs/dbraw/zinc/08/52/05/556085205.db2.gz INKYTCOXKZMSMS-NRFANRHFSA-N 1 0 451.548 4.992 50 0 JJAARO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736629 556105870 /nfs/dbraw/zinc/10/58/70/556105870.db2.gz HJTHFUNSTIPAKL-PIGZYNQJSA-N 1 0 460.283 4.950 50 0 JJAARO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)c1C ZINC000012738180 556106801 /nfs/dbraw/zinc/10/68/01/556106801.db2.gz JAKPQFWRCBLDHF-SANMLTNESA-N 1 0 477.630 4.671 50 0 JJAARO O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012914337 556133347 /nfs/dbraw/zinc/13/33/47/556133347.db2.gz QCSJHYDLWDYRGR-QHCPKHFHSA-N 1 0 495.624 4.590 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[NH+](C)C)c1 ZINC000012937119 556151887 /nfs/dbraw/zinc/15/18/87/556151887.db2.gz AFLXHEMHCKGKGH-HXUWFJFHSA-N 1 0 457.983 4.695 50 0 JJAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3[nH]1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000024770208 556153523 /nfs/dbraw/zinc/15/35/23/556153523.db2.gz JXLACGULGLJLIQ-UHFFFAOYSA-N 1 0 472.636 4.691 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2CN2CCOCC2)cc1OC ZINC000024828934 556157246 /nfs/dbraw/zinc/15/72/46/556157246.db2.gz ZDZNXNBGMZWDET-UHFFFAOYSA-N 1 0 498.627 4.679 50 0 JJAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000013005148 556197214 /nfs/dbraw/zinc/19/72/14/556197214.db2.gz JTWLWBUFPTVILN-HHHXNRCGSA-N 1 0 484.600 4.648 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)[NH+]1CCCC1 ZINC000027569991 556297854 /nfs/dbraw/zinc/29/78/54/556297854.db2.gz QMRWCEZPOXFXEK-HXUWFJFHSA-N 1 0 456.949 4.549 50 0 JJAARO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000013117796 556329576 /nfs/dbraw/zinc/32/95/76/556329576.db2.gz HOQSJHZDGROJQP-DEOSSOPVSA-N 1 0 486.572 4.716 50 0 JJAARO CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000019596616 556356332 /nfs/dbraw/zinc/35/63/32/556356332.db2.gz ATTANZDQPXUSJA-UHFFFAOYSA-N 1 0 493.654 4.652 50 0 JJAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)c2ccccc2n3CC)CN1Cc1ccccc1 ZINC000019635303 556359067 /nfs/dbraw/zinc/35/90/67/556359067.db2.gz JKIBLIPOBRTAEH-FIPFOOKPSA-N 1 0 454.618 4.683 50 0 JJAARO CCCCc1cc2c(cc1OC(=O)[C@H](N)Cc1ccc(O)cc1)occ(-c1csc(C)n1)c2=O ZINC000019703365 556360630 /nfs/dbraw/zinc/36/06/30/556360630.db2.gz QZCAIECSHMSDLE-OAQYLSRUSA-N 1 0 478.570 4.749 50 0 biogenic JJAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](c3nncn3C)C2)c(C)s1 ZINC000019739870 556363438 /nfs/dbraw/zinc/36/34/38/556363438.db2.gz IKQBMWUFEFZRLZ-SFHVURJKSA-N 1 0 450.587 4.865 50 0 JJAARO COc1ccc(CCNC(=O)CC[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cc1OC ZINC000019743883 556365472 /nfs/dbraw/zinc/36/54/72/556365472.db2.gz XFBIRGQAJLGFSB-HHHXNRCGSA-N 1 0 478.564 4.528 50 0 JJAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000032622623 556452341 /nfs/dbraw/zinc/45/23/41/556452341.db2.gz XDICNVOHFBORAS-MHZLTWQESA-N 1 0 498.579 4.878 50 0 JJAARO CCCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000032623554 556453336 /nfs/dbraw/zinc/45/33/36/556453336.db2.gz LQQGDUBGYXSMEX-QFIPXVFZSA-N 1 0 454.954 4.732 50 0 JJAARO CC(=O)N1CCC(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)(c2ccccc2)CC1 ZINC000032710202 556472908 /nfs/dbraw/zinc/47/29/08/556472908.db2.gz ZAYDSFDFPNGEKU-UHFFFAOYSA-N 1 0 496.655 4.528 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cnn2c1nccc2-c1cccs1 ZINC000032815273 556502757 /nfs/dbraw/zinc/50/27/57/556502757.db2.gz XWLBSVDBDSPAKX-UHFFFAOYSA-N 1 0 451.983 4.506 50 0 JJAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1CSC(N)=[NH2+] ZINC000008453906 562939484 /nfs/dbraw/zinc/93/94/84/562939484.db2.gz XEYANNMNRFTJKP-UHFFFAOYSA-N 1 0 490.379 4.622 50 0 JJAARO Cc1cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617143 562948186 /nfs/dbraw/zinc/94/81/86/562948186.db2.gz IXNZTVAYBUWDPR-HHHXNRCGSA-N 1 0 473.548 4.554 50 0 aggregator JJAARO CC(C)c1nc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)cs1 ZINC000012434650 562960032 /nfs/dbraw/zinc/96/00/32/562960032.db2.gz NZXAGABNYADSEV-UHFFFAOYSA-N 1 0 450.608 4.635 50 0 JJAARO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431535 569589532 /nfs/dbraw/zinc/58/95/32/569589532.db2.gz QNYKNOXEGLLUAM-TUACAJSNSA-N 1 0 492.660 4.740 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)cc2)c1 ZINC000057223022 569594877 /nfs/dbraw/zinc/59/48/77/569594877.db2.gz NCIRGJNHHAIPIX-UHFFFAOYSA-N 1 0 487.600 4.837 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000057222970 569594994 /nfs/dbraw/zinc/59/49/94/569594994.db2.gz UYPMHMKGSBSCLA-UHFFFAOYSA-N 1 0 461.537 4.577 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000057264471 569595078 /nfs/dbraw/zinc/59/50/78/569595078.db2.gz PECYZRKMMWTODY-UHFFFAOYSA-N 1 0 472.568 4.721 50 0 JJAARO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000008718350 569597074 /nfs/dbraw/zinc/59/70/74/569597074.db2.gz PUNGQLJGVYKXNO-XMMPIXPASA-N 1 0 474.536 4.847 50 0 JJAARO C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(F)cc1F ZINC000057332223 569598876 /nfs/dbraw/zinc/59/88/76/569598876.db2.gz TWWLJZQMEXXWCW-FQEVSTJZSA-N 1 0 464.560 4.576 50 0 JJAARO O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057332165 569598948 /nfs/dbraw/zinc/59/89/48/569598948.db2.gz FOEWCASUAGQKNC-UHFFFAOYSA-N 1 0 499.611 4.772 50 0 JJAARO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000032974211 569605364 /nfs/dbraw/zinc/60/53/64/569605364.db2.gz OOIWBHIPEPSPDP-UHFFFAOYSA-N 1 0 475.677 4.698 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984003 569607286 /nfs/dbraw/zinc/60/72/86/569607286.db2.gz QUGCWBZFZJPLLI-BDFKGGEMSA-N 1 0 453.970 4.706 50 0 JJAARO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000062566723 569611116 /nfs/dbraw/zinc/61/11/16/569611116.db2.gz AMTWGMKSVJXGJZ-NVQXNPDNSA-N 1 0 491.657 4.809 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCNc2nc3ccccc3c3nc(-c4ccncc4)nn32)CC1 ZINC000063494574 569615335 /nfs/dbraw/zinc/61/53/35/569615335.db2.gz IKGZRRPHMOTJDB-UHFFFAOYSA-N 1 0 499.022 4.535 50 0 JJAARO Cc1cccc(Oc2cc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)ncn2)c1C ZINC000033312045 569622776 /nfs/dbraw/zinc/62/27/76/569622776.db2.gz TXPKPDIQPVLIPJ-UHFFFAOYSA-N 1 0 499.659 4.883 50 0 JJAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+](C)Cc2ccccc2)C3=O)o1 ZINC000033331897 569624419 /nfs/dbraw/zinc/62/44/19/569624419.db2.gz WQDAHKYBGABACM-LJAQVGFWSA-N 1 0 490.648 4.728 50 0 JJAARO CCC[NH+]1CCN(c2nn3c(nc(-c4cc(OC)cc(OC)c4)c3NC3CCCCC3)s2)CC1 ZINC000064746075 569625167 /nfs/dbraw/zinc/62/51/67/569625167.db2.gz PTVHXGYMHMHYKZ-UHFFFAOYSA-N 1 0 484.670 4.752 50 0 JJAARO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NC[C@@H]1CCCO1 ZINC000034671517 569640764 /nfs/dbraw/zinc/64/07/64/569640764.db2.gz QAGZJFUVNPAQSD-LITSAYRRSA-N 1 0 456.586 4.508 50 0 JJAARO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)NCC[NH+]1CCCCC1 ZINC000034679998 569642835 /nfs/dbraw/zinc/64/28/35/569642835.db2.gz FQTCNNCKSWJKED-UHFFFAOYSA-N 1 0 465.613 4.694 50 0 JJAARO Cc1cccc(C[N@@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c1 ZINC000034681714 569643584 /nfs/dbraw/zinc/64/35/84/569643584.db2.gz POZQQWKTMGYPME-UHFFFAOYSA-N 1 0 464.997 4.773 50 0 JJAARO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000034683153 569644307 /nfs/dbraw/zinc/64/43/07/569644307.db2.gz QDWRPRAEGHQAFU-UHFFFAOYSA-N 1 0 464.587 4.839 50 0 JJAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697658 569647516 /nfs/dbraw/zinc/64/75/16/569647516.db2.gz XWPJUDQLQBSVMU-RBJSKKJNSA-N 1 0 473.592 4.512 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4cccs4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698421 569647846 /nfs/dbraw/zinc/64/78/46/569647846.db2.gz XTJTWXAKSUYQSS-PXDATVDWSA-N 1 0 479.621 4.574 50 0 JJAARO Cc1c2cc(C)c(C)c(S(=O)(=O)NCC[NH+]3CCCCCC3)c2oc1C(=O)N1CCCCCC1 ZINC000065011035 569647893 /nfs/dbraw/zinc/64/78/93/569647893.db2.gz PUKHMAYOUFYBTM-UHFFFAOYSA-N 1 0 489.682 4.529 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023201 569649840 /nfs/dbraw/zinc/64/98/40/569649840.db2.gz KAEGROCFJYVMLM-XMMPIXPASA-N 1 0 475.612 4.528 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711148 569650882 /nfs/dbraw/zinc/65/08/82/569650882.db2.gz KVXBYQGFDCZYPW-YADHBBJMSA-N 1 0 464.512 4.616 50 0 JJAARO Cc1ccc(C(=O)NC[C@@H]2CCCO2)c(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000034725671 569652764 /nfs/dbraw/zinc/65/27/64/569652764.db2.gz XYUJXYMBLDOAMJ-NRFANRHFSA-N 1 0 461.528 4.697 50 0 JJAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740470 569655279 /nfs/dbraw/zinc/65/52/79/569655279.db2.gz JJSZOWJOKYPELU-LADGPHEKSA-N 1 0 454.586 4.911 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034814888 569662883 /nfs/dbraw/zinc/66/28/83/569662883.db2.gz MXYFLKMFKHLARS-UHFFFAOYSA-N 1 0 473.665 4.929 50 0 JJAARO Cc1ccccc1C(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CC1 ZINC000034830054 569663523 /nfs/dbraw/zinc/66/35/23/569663523.db2.gz KXURGNWIFLIUAC-NDEPHWFRSA-N 1 0 487.669 4.769 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830399 569663827 /nfs/dbraw/zinc/66/38/27/569663827.db2.gz IACWTMTVMHYQCM-LVXARBLLSA-N 1 0 481.706 4.890 50 0 JJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)CCc1ccccc1 ZINC000034834647 569664822 /nfs/dbraw/zinc/66/48/22/569664822.db2.gz KXKCIXVIEJLCMT-UHFFFAOYSA-N 1 0 487.692 4.940 50 0 JJAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)C(C)C ZINC000034835305 569664974 /nfs/dbraw/zinc/66/49/74/569664974.db2.gz VEOQNFFWEPPXGU-UHFFFAOYSA-N 1 0 471.665 4.745 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1cccs1 ZINC000034835507 569665129 /nfs/dbraw/zinc/66/51/29/569665129.db2.gz MBBNVGLFLKHRAQ-UHFFFAOYSA-N 1 0 483.657 4.505 50 0 JJAARO O=C(c1ccc(F)cc1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912365 569671629 /nfs/dbraw/zinc/67/16/29/569671629.db2.gz ZQYVLGSPLVOQKK-UHFFFAOYSA-N 1 0 491.651 4.624 50 0 JJAARO C[C@H](CC(=O)N1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1)CC(C)(C)C ZINC000034912441 569671765 /nfs/dbraw/zinc/67/17/65/569671765.db2.gz ZJWBVEBEFMYSOM-JOCHJYFZSA-N 1 0 455.687 4.810 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372703 569683075 /nfs/dbraw/zinc/68/30/75/569683075.db2.gz RVIJURQORPORBD-UHFFFAOYSA-N 1 0 458.990 4.864 50 0 JJAARO Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1 ZINC000035397181 569687744 /nfs/dbraw/zinc/68/77/44/569687744.db2.gz XMIAJOWHDBTZOL-UHFFFAOYSA-N 1 0 485.451 4.753 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397190 569687975 /nfs/dbraw/zinc/68/79/75/569687975.db2.gz JACSUOREQGFBNU-UHFFFAOYSA-N 1 0 489.414 4.583 50 0 JJAARO CN(CC[C@@H]1CCCCO1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000067726433 569690909 /nfs/dbraw/zinc/69/09/09/569690909.db2.gz NVPWLQKNSKYGLK-VWLOTQADSA-N 1 0 450.623 4.804 50 0 JJAARO COc1ccc(-c2noc(CCCC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000069950506 569694320 /nfs/dbraw/zinc/69/43/20/569694320.db2.gz RGUDFONAJKRXSE-FQEVSTJZSA-N 1 0 462.594 4.759 50 0 JJAARO O=C(NCCc1c[nH]cn1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000035451425 569696908 /nfs/dbraw/zinc/69/69/08/569696908.db2.gz LAYDAOJHSGFWLK-UHFFFAOYSA-N 1 0 476.024 4.637 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454118 569697387 /nfs/dbraw/zinc/69/73/87/569697387.db2.gz RKSQVCIWKVJJNV-JOCHJYFZSA-N 1 0 473.061 4.834 50 0 JJAARO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454180 569697406 /nfs/dbraw/zinc/69/74/06/569697406.db2.gz KIXILYUQJBABJZ-OALUTQOASA-N 1 0 473.061 4.548 50 0 JJAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000035454728 569697529 /nfs/dbraw/zinc/69/75/29/569697529.db2.gz LXCFOZCOJIKJFB-HXUWFJFHSA-N 1 0 482.694 4.599 50 0 JJAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000035528874 569700021 /nfs/dbraw/zinc/70/00/21/569700021.db2.gz IGNJCFPSAQLPIE-UHFFFAOYSA-N 1 0 457.018 4.612 50 0 JJAARO CC(C)[N@H+](CCNC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2)Cc1ccccc1 ZINC000035534878 569701559 /nfs/dbraw/zinc/70/15/59/569701559.db2.gz HDQPGVCVLGJACT-UHFFFAOYSA-N 1 0 455.027 4.987 50 0 JJAARO CC[NH+](CC)[C@@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)C)cc1 ZINC000035671299 569706106 /nfs/dbraw/zinc/70/61/06/569706106.db2.gz GOCKVWWXSGLZEQ-KRWDZBQOSA-N 1 0 456.637 4.709 50 0 JJAARO O=C(C[N@H+](Cc1cccc(O)c1)C1CCC(O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000078724185 569706644 /nfs/dbraw/zinc/70/66/44/569706644.db2.gz HECBOQCBFYAEEL-UHFFFAOYSA-N 1 0 468.613 4.998 50 0 JJAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC[NH+](C)C)C(=O)CC(C)(C)C)c1 ZINC000085405188 569710260 /nfs/dbraw/zinc/71/02/60/569710260.db2.gz GWGOGNAGXBOCAH-UHFFFAOYSA-N 1 0 481.058 4.743 50 0 JJAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccs3)C2)cc1 ZINC000035835149 569713375 /nfs/dbraw/zinc/71/33/75/569713375.db2.gz IREOKSWECLDKLI-HXUWFJFHSA-N 1 0 455.530 4.928 50 0 JJAARO COCC[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000035840680 569713794 /nfs/dbraw/zinc/71/37/94/569713794.db2.gz BUEAYCXWXJEIFH-MUUNZHRXSA-N 1 0 464.650 4.860 50 0 JJAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccc(Br)cc1 ZINC000035843552 569714365 /nfs/dbraw/zinc/71/43/65/569714365.db2.gz VNFQDQOBRVDLLC-QHCPKHFHSA-N 1 0 493.467 4.570 50 0 JJAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843584 569714505 /nfs/dbraw/zinc/71/45/05/569714505.db2.gz JUFWKTIRPUTOLM-QFIPXVFZSA-N 1 0 481.431 4.701 50 0 JJAARO COc1cccc(-c2nc(CN3CC[NH+](Cc4cccc5cccnc54)CC3)cs2)c1OC ZINC000095349095 569722494 /nfs/dbraw/zinc/72/24/94/569722494.db2.gz KVERUQSVFFLCQC-UHFFFAOYSA-N 1 0 460.603 4.693 50 0 JJAARO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035907822 569723497 /nfs/dbraw/zinc/72/34/97/569723497.db2.gz FJFFUYYYIDLHJM-LADGPHEKSA-N 1 0 459.556 4.731 50 0 JJAARO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908107 569723770 /nfs/dbraw/zinc/72/37/70/569723770.db2.gz VSMLTCWYMIJBLE-ILBGXUMGSA-N 1 0 489.582 4.610 50 0 JJAARO Cc1ccc(Cc2nc3cc(Cl)c(Cl)cc3n2CCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000095537590 569725989 /nfs/dbraw/zinc/72/59/89/569725989.db2.gz DKERXYQFUKRUBE-UHFFFAOYSA-N 1 0 459.421 4.844 50 0 JJAARO O=C(CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21)NCC[NH+]1CCCC1 ZINC000095544312 569726874 /nfs/dbraw/zinc/72/68/74/569726874.db2.gz AZJYPZKFCVGAEP-UHFFFAOYSA-N 1 0 463.384 4.675 50 0 JJAARO Cn1cccc1C[N@@H+]1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CC1 ZINC000095926209 569730321 /nfs/dbraw/zinc/73/03/21/569730321.db2.gz GDKDHUWIZZBDQL-UHFFFAOYSA-N 1 0 478.025 4.710 50 0 JJAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929878 569731377 /nfs/dbraw/zinc/73/13/77/569731377.db2.gz LUBMDEACOCPMNP-UHFFFAOYSA-N 1 0 493.590 4.585 50 0 JJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000096116456 569735278 /nfs/dbraw/zinc/73/52/78/569735278.db2.gz FNEPEWRQNIQNKQ-JYFHCDHNSA-N 1 0 456.590 4.724 50 0 biogenic JJAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@H](O)COCc1ccco1 ZINC000036245985 569757717 /nfs/dbraw/zinc/75/77/17/569757717.db2.gz SEOVLNBHXLYQKU-IRLDBZIGSA-N 1 0 455.599 4.957 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)Cc1cccc(C)c1 ZINC000036249918 569758187 /nfs/dbraw/zinc/75/81/87/569758187.db2.gz NIGLWIRKIAXKQV-XMMPIXPASA-N 1 0 451.611 4.894 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036301502 569759093 /nfs/dbraw/zinc/75/90/93/569759093.db2.gz RGGDDBLDOGHKIX-VWLOTQADSA-N 1 0 471.601 4.931 50 0 JJAARO C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1cccs1 ZINC000036312838 569760437 /nfs/dbraw/zinc/76/04/37/569760437.db2.gz RAZKYLQKGWEMLL-LJQANCHMSA-N 1 0 452.624 4.986 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccccc1 ZINC000036313014 569760616 /nfs/dbraw/zinc/76/06/16/569760616.db2.gz VYUROFDKFFRJRB-SANMLTNESA-N 1 0 493.648 4.748 50 0 JJAARO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316069 569762090 /nfs/dbraw/zinc/76/20/90/569762090.db2.gz AVPVLOZXCKHZIA-AZGAKELHSA-N 1 0 493.648 4.955 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316175 569762411 /nfs/dbraw/zinc/76/24/11/569762411.db2.gz KCHYDFNNDSZJMB-NRFANRHFSA-N 1 0 471.548 4.767 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316390 569762838 /nfs/dbraw/zinc/76/28/38/569762838.db2.gz QIDJOWXUZWYBFM-QFIPXVFZSA-N 1 0 467.610 4.843 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316466 569762958 /nfs/dbraw/zinc/76/29/58/569762958.db2.gz UXPVYNFMKYBTOM-NRFANRHFSA-N 1 0 455.574 4.974 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COCC ZINC000036316436 569763045 /nfs/dbraw/zinc/76/30/45/569763045.db2.gz HHUZUOJALFLVBB-QFIPXVFZSA-N 1 0 467.610 4.845 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316536 569763309 /nfs/dbraw/zinc/76/33/09/569763309.db2.gz BDVYWVROAXVPPV-QHCPKHFHSA-N 1 0 467.585 4.976 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345820 569768126 /nfs/dbraw/zinc/76/81/26/569768126.db2.gz LCLODVOIEILTMH-JOCHJYFZSA-N 1 0 455.574 4.974 50 0 JJAARO Nc1c2c(nn1-c1ccccc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376272 569784344 /nfs/dbraw/zinc/78/43/44/569784344.db2.gz NDAXIXXQZCIZEK-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO CCC[C@@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037396959 569786497 /nfs/dbraw/zinc/78/64/97/569786497.db2.gz DQTXYWWGHNOBQC-DEOSSOPVSA-N 1 0 450.602 4.936 50 0 JJAARO CCC[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccccc2F)nc2cc(C)c(C)cc21 ZINC000037397885 569786928 /nfs/dbraw/zinc/78/69/28/569786928.db2.gz MGPRJPQXIWKOSH-XMMPIXPASA-N 1 0 450.602 4.936 50 0 JJAARO O=C(NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1)c1cccs1 ZINC000037525246 569793461 /nfs/dbraw/zinc/79/34/61/569793461.db2.gz WGAFAVRTPOLNHZ-UHFFFAOYSA-N 1 0 494.705 4.628 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000037560588 569795774 /nfs/dbraw/zinc/79/57/74/569795774.db2.gz OBHPTFOWJRWBDJ-UHFFFAOYSA-N 1 0 454.567 4.694 50 0 JJAARO Cc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC[NH+]2CCCC2)c1 ZINC000037601103 569797177 /nfs/dbraw/zinc/79/71/77/569797177.db2.gz WSZLLPZWGJJFHK-UHFFFAOYSA-N 1 0 473.592 4.736 50 0 JJAARO CCc1cc([C@H](c2ccc(OC)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546528 569803275 /nfs/dbraw/zinc/80/32/75/569803275.db2.gz AFHOHCVEFMKAPM-QHCPKHFHSA-N 1 0 453.608 4.891 50 0 JJAARO Cc1[nH]nc(-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2O)c1-c1ccccc1 ZINC000039354379 569809375 /nfs/dbraw/zinc/80/93/75/569809375.db2.gz UDOGCAQJBAXJOL-UHFFFAOYSA-N 1 0 454.574 4.959 50 0 JJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995506 569813410 /nfs/dbraw/zinc/81/34/10/569813410.db2.gz QQCVUALXUOEVOR-AUSIDOKSSA-N 1 0 455.002 4.537 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)[NH+]1CCCCC1 ZINC000040156818 569821347 /nfs/dbraw/zinc/82/13/47/569821347.db2.gz FXBWHUOKDDFMGR-NRFANRHFSA-N 1 0 470.976 4.939 50 0 JJAARO C[N@H+](CCCN1C(=O)[C@@H](Oc2ccc(F)cc2Cl)[C@H]1c1cscn1)Cc1ccccc1 ZINC000040157683 569821675 /nfs/dbraw/zinc/82/16/75/569821675.db2.gz GDVNHVCDJAZRPM-YADHBBJMSA-N 1 0 459.974 4.789 50 0 JJAARO CC[C@H](C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(OC)cc1OC ZINC000104968063 569847828 /nfs/dbraw/zinc/84/78/28/569847828.db2.gz PIORXNSJZCCPTD-RBUKOAKNSA-N 1 0 451.567 4.984 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104983862 569848219 /nfs/dbraw/zinc/84/82/19/569848219.db2.gz REMKEXMDXRZWCD-IFMALSPDSA-N 1 0 472.944 4.645 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983319 569848260 /nfs/dbraw/zinc/84/82/60/569848260.db2.gz PVTOUNJWNJSZKA-ISKFKSNPSA-N 1 0 472.944 4.645 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983643 569848265 /nfs/dbraw/zinc/84/82/65/569848265.db2.gz CUZFNRYZTOZFNS-VQTJNVASSA-N 1 0 497.394 4.832 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C[C@H](O)Cc1ccccc1 ZINC000105003961 569849517 /nfs/dbraw/zinc/84/95/17/569849517.db2.gz XBXRJYAQGONOTI-ZEQKJWHPSA-N 1 0 496.648 4.708 50 0 JJAARO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)[C@H](C)C(C)(C)O ZINC000105004715 569849852 /nfs/dbraw/zinc/84/98/52/569849852.db2.gz DPLQSDFGFXYKHN-XXBNENTESA-N 1 0 458.668 4.858 50 0 JJAARO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000105010507 569850957 /nfs/dbraw/zinc/85/09/57/569850957.db2.gz PNKCHSXWLUQKDV-GAJHUEQPSA-N 1 0 455.986 4.909 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000107374295 569856455 /nfs/dbraw/zinc/85/64/55/569856455.db2.gz JNOZEOYPSPQZGZ-AZGAKELHSA-N 1 0 479.546 4.885 50 0 JJAARO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000109047190 569860516 /nfs/dbraw/zinc/86/05/16/569860516.db2.gz AMTWGMKSVJXGJZ-ATIYNZHBSA-N 1 0 491.657 4.809 50 0 JJAARO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677579 569868727 /nfs/dbraw/zinc/86/87/27/569868727.db2.gz VJSJAAOSEDNDGH-VWNXMTODSA-N 1 0 477.546 4.870 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000169677637 569868756 /nfs/dbraw/zinc/86/87/56/569868756.db2.gz IBVKZEOQOOGUOU-XTEPFMGCSA-N 1 0 490.047 4.571 50 0 JJAARO Cc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1 ZINC000169677657 569868764 /nfs/dbraw/zinc/86/87/64/569868764.db2.gz CDVWFASIXQAIIZ-KDYSTLNUSA-N 1 0 494.705 4.579 50 0 JJAARO Cc1ccc([C@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1 ZINC000169677658 569868779 /nfs/dbraw/zinc/86/87/79/569868779.db2.gz CDVWFASIXQAIIZ-IDISGSTGSA-N 1 0 494.705 4.579 50 0 JJAARO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677745 569868896 /nfs/dbraw/zinc/86/88/96/569868896.db2.gz JJZBCNJDHMORGL-GMAHTHKFSA-N 1 0 477.596 4.731 50 0 JJAARO CC(C)CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677906 569869035 /nfs/dbraw/zinc/86/90/35/569869035.db2.gz FJFFUYYYIDLHJM-VWNXMTODSA-N 1 0 459.556 4.731 50 0 JJAARO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169681926 569870905 /nfs/dbraw/zinc/87/09/05/569870905.db2.gz BFKXPQQAJYTDHD-VWNXMTODSA-N 1 0 475.530 4.766 50 0 JJAARO C[C@@H]1C[NH+](C[C@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@@H](C)O1 ZINC000195529814 569873535 /nfs/dbraw/zinc/87/35/35/569873535.db2.gz USRYDXBWELCXLL-YOSAUDMPSA-N 1 0 481.641 4.740 50 0 JJAARO COc1ccccc1NC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc2c1CC[C@@H](C)C2 ZINC000226886567 570039134 /nfs/dbraw/zinc/03/91/34/570039134.db2.gz IAICTBHDVHYJLR-IAGOWNOFSA-N 1 0 455.624 4.947 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000227248818 570040234 /nfs/dbraw/zinc/04/02/34/570040234.db2.gz GMFSZWFKYGVOPH-HAUPEQAHSA-N 1 0 486.955 4.977 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245234521 570056880 /nfs/dbraw/zinc/05/68/80/570056880.db2.gz BSQKNGLCBQSICK-RBTNQOKQSA-N 1 0 482.669 4.942 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245234903 570056980 /nfs/dbraw/zinc/05/69/80/570056980.db2.gz GANQGTIVFYPHNC-CCLHPLFOSA-N 1 0 468.642 4.552 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4[C@H](C)CCC[C@H]4C)C3)sc2c1 ZINC000245257643 570060728 /nfs/dbraw/zinc/06/07/28/570060728.db2.gz BCLKQHHNVNWSIB-AQNXPRMDSA-N 1 0 458.672 4.681 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245279489 570061521 /nfs/dbraw/zinc/06/15/21/570061521.db2.gz GGBVMSNYIDJUPB-DHIUTWEWSA-N 1 0 497.611 4.785 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281446 570062342 /nfs/dbraw/zinc/06/23/42/570062342.db2.gz ZOVBCGWOCXYJEF-ILBGXUMGSA-N 1 0 497.611 4.785 50 0 JJAARO CC(C)CN(C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245327460 570065309 /nfs/dbraw/zinc/06/53/09/570065309.db2.gz JJSZOWJOKYPELU-UPVQGACJSA-N 1 0 454.586 4.911 50 0 JJAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245330631 570066994 /nfs/dbraw/zinc/06/69/94/570066994.db2.gz ZRYXUPBHWZCFBY-HFZDXXHNSA-N 1 0 467.679 4.583 50 0 JJAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000247740193 570069157 /nfs/dbraw/zinc/06/91/57/570069157.db2.gz NJYHDSZVSJSJAV-LOSJGSFVSA-N 1 0 461.606 4.526 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)N(C(C)C)C(C)C)C3)nc3ccccc32)cc1 ZINC000247879831 570070651 /nfs/dbraw/zinc/07/06/51/570070651.db2.gz IIZSZTMVQGCNDD-HSZRJFAPSA-N 1 0 462.638 4.951 50 0 JJAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c(C)c1 ZINC000247991830 570072296 /nfs/dbraw/zinc/07/22/96/570072296.db2.gz KTWXQZDGZBJLQW-XMMPIXPASA-N 1 0 473.665 4.795 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4C)C3)nc3ccccc32)cc1 ZINC000248164902 570075713 /nfs/dbraw/zinc/07/57/13/570075713.db2.gz QVWKGHSTVLEHJZ-RUZDIDTESA-N 1 0 482.628 4.930 50 0 JJAARO CCCCNC(=O)C1CCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248232686 570076371 /nfs/dbraw/zinc/07/63/71/570076371.db2.gz LIXPCQQBCAXWLE-UHFFFAOYSA-N 1 0 469.427 4.916 50 0 JJAARO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)[C@H](C)C(C)(C)O ZINC000248260894 570077138 /nfs/dbraw/zinc/07/71/38/570077138.db2.gz QKKIBLLNTBFVAE-IFMALSPDSA-N 1 0 458.668 4.741 50 0 JJAARO CCCCc1cc(=O)oc2c(C)c(OCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000253410824 570097702 /nfs/dbraw/zinc/09/77/02/570097702.db2.gz NUOPMSZIIQEWDO-JTHBVZDNSA-N 1 0 454.611 4.546 50 0 JJAARO Clc1cccc(Cl)c1Cn1nc(C[NH2+]CCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261491687 570169848 /nfs/dbraw/zinc/16/98/48/570169848.db2.gz CSQIPXNKXXWPQY-UHFFFAOYSA-N 1 0 454.361 4.864 50 0 JJAARO c1c(C[NH2+]CCCSc2nnnn2-c2ccccc2)c2ccccc2n1Cc1ccccc1 ZINC000261492623 570170088 /nfs/dbraw/zinc/17/00/88/570170088.db2.gz VINSHHFAOSBRCA-UHFFFAOYSA-N 1 0 454.603 4.937 50 0 JJAARO Cn1nnnc1SCCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000261492549 570170120 /nfs/dbraw/zinc/17/01/20/570170120.db2.gz YWCLRKIWBFKEDV-UHFFFAOYSA-N 1 0 461.422 4.792 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C2CC2)nc1-c1cccs1 ZINC000299774108 570176123 /nfs/dbraw/zinc/17/61/23/570176123.db2.gz GOTOIZRJOXDVLS-UHFFFAOYSA-N 1 0 476.650 4.667 50 0 JJAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCCC1 ZINC000000727551 193907544 /nfs/dbraw/zinc/90/75/44/193907544.db2.gz VOIGRIONNTUWSQ-OAHLLOKOSA-N 1 0 452.190 4.776 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000002807232 194165870 /nfs/dbraw/zinc/16/58/70/194165870.db2.gz YJTVMUFBVJGKGQ-UHFFFAOYSA-N 1 0 453.896 4.530 50 0 JJAARO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)N[C@H](C)c3ccccc3)CC23CCCCC3)cc1 ZINC000002953394 194178409 /nfs/dbraw/zinc/17/84/09/194178409.db2.gz JESQAOUHFGPZPQ-HSZRJFAPSA-N 1 0 478.706 4.567 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000003645473 194348688 /nfs/dbraw/zinc/34/86/88/194348688.db2.gz XDXJZCVCZINKGA-UHFFFAOYSA-N 1 0 478.033 4.970 50 0 JJAARO O=C(COc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265378 194647778 /nfs/dbraw/zinc/64/77/78/194647778.db2.gz LFLFETNADNRWHG-UHFFFAOYSA-N 1 0 479.552 4.680 50 0 JJAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)c2-n1cccc1 ZINC000009251903 194635075 /nfs/dbraw/zinc/63/50/75/194635075.db2.gz DZBQUDMTMFKBOF-UHFFFAOYSA-N 1 0 491.636 4.785 50 0 JJAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009427783 194769203 /nfs/dbraw/zinc/76/92/03/194769203.db2.gz VUBRKCPGBRZKJE-UHFFFAOYSA-N 1 0 453.970 4.891 50 0 JJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)[C@H]2c2ccccc2)cc1 ZINC000009672461 194877621 /nfs/dbraw/zinc/87/76/21/194877621.db2.gz BNCMBOXWQNDJDK-ABYGYWHVSA-N 1 0 498.627 4.570 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@@H]2CCNC(C)=O)c(F)c1 ZINC000012709764 195094331 /nfs/dbraw/zinc/09/43/31/195094331.db2.gz AKWQHKRSABAQHC-OAQYLSRUSA-N 1 0 450.558 4.568 50 0 JJAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1cccs1 ZINC000012695291 195089935 /nfs/dbraw/zinc/08/99/35/195089935.db2.gz PSOQJOXUKRIWSB-JOCHJYFZSA-N 1 0 484.087 4.892 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCc3ccccc3OC)c(=O)cc21 ZINC000012658414 195078589 /nfs/dbraw/zinc/07/85/89/195078589.db2.gz KMSVSSASDACYAY-QFIPXVFZSA-N 1 0 490.600 4.610 50 0 biogenic JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000012772823 195118914 /nfs/dbraw/zinc/11/89/14/195118914.db2.gz FDGBKNNJNMMYIY-QHCPKHFHSA-N 1 0 483.659 4.530 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000012778607 195122694 /nfs/dbraw/zinc/12/26/94/195122694.db2.gz ZVCBNMGLISZUFL-IFMALSPDSA-N 1 0 462.059 4.745 50 0 JJAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(C3CCCCC3)cc2)C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012797804 195137187 /nfs/dbraw/zinc/13/71/87/195137187.db2.gz ODLXTEFVUCMDTB-BVAGGSTKSA-N 1 0 486.682 4.524 50 0 JJAARO Cc1cc(=O)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882800 195169443 /nfs/dbraw/zinc/16/94/43/195169443.db2.gz ZMCLAKRFLJWBKS-UUOWRZLLSA-N 1 0 484.522 4.515 50 0 JJAARO c1ccc(SCc2nc3sc4c(c3c(NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)n2)CCC4)cc1 ZINC000012894217 195174607 /nfs/dbraw/zinc/17/46/07/195174607.db2.gz AWXMUJFNNCJKCY-NQIIRXRSSA-N 1 0 496.702 4.622 50 0 JJAARO O=C(CCc1cn(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc12)N1CCCC1 ZINC000020624648 195191258 /nfs/dbraw/zinc/19/12/58/195191258.db2.gz LVRNTJGYJLVDPI-UHFFFAOYSA-N 1 0 451.014 4.629 50 0 JJAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000020678192 195202969 /nfs/dbraw/zinc/20/29/69/195202969.db2.gz YBALNJDVBONULV-UHFFFAOYSA-N 1 0 477.653 4.509 50 0 JJAARO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NC3CCCCCC3)CC23CCCCC3)cc1 ZINC000020687361 195205435 /nfs/dbraw/zinc/20/54/35/195205435.db2.gz PLEUOCUIPVQTGK-UHFFFAOYSA-N 1 0 470.727 4.529 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCC[NH+]1CCCCCC1)C3=O ZINC000020902953 195242269 /nfs/dbraw/zinc/24/22/69/195242269.db2.gz PANGRDCSZKMQPE-GDLZYMKVSA-N 1 0 494.680 4.579 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCC[N@@H+]1CCCC[C@@H]1C)C3=O ZINC000020902957 195242313 /nfs/dbraw/zinc/24/23/13/195242313.db2.gz PYLGGNNNURAQMJ-KCWXNJEJSA-N 1 0 494.680 4.578 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020939152 195254521 /nfs/dbraw/zinc/25/45/21/195254521.db2.gz GOWMPUIEIWSVKO-UHFFFAOYSA-N 1 0 487.629 4.620 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)cc1 ZINC000020941521 195255945 /nfs/dbraw/zinc/25/59/45/195255945.db2.gz XQMAYJRQWFLGKQ-UHFFFAOYSA-N 1 0 460.622 5.000 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c2ccccc2c1=O ZINC000020941555 195256038 /nfs/dbraw/zinc/25/60/38/195256038.db2.gz JGWHMYOGMGKVFG-UHFFFAOYSA-N 1 0 464.585 4.830 50 0 JJAARO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000020978827 195258580 /nfs/dbraw/zinc/25/85/80/195258580.db2.gz LZISNHCCOQXLOV-NRFANRHFSA-N 1 0 479.646 4.671 50 0 JJAARO CC(C)[N@H+](CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)Cc1ccccc1 ZINC000020933853 195252213 /nfs/dbraw/zinc/25/22/13/195252213.db2.gz BNHDIISIAVAUSN-UHFFFAOYSA-N 1 0 459.569 4.833 50 0 JJAARO Fc1ccc([C@@H](NCCC[NH+]2CCN(c3ccccc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988543 195261475 /nfs/dbraw/zinc/26/14/75/195261475.db2.gz VAEJUFOBCVDPSS-AREMUKBSSA-N 1 0 471.580 4.767 50 0 JJAARO O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021915626 195332083 /nfs/dbraw/zinc/33/20/83/195332083.db2.gz DDGMDECFFCGEAY-UHFFFAOYSA-N 1 0 468.557 4.563 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000021935004 195336276 /nfs/dbraw/zinc/33/62/76/195336276.db2.gz RZXRASJYMGNEGT-UHFFFAOYSA-N 1 0 453.384 4.665 50 0 JJAARO C[C@@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000057755407 195359574 /nfs/dbraw/zinc/35/95/74/195359574.db2.gz JKEKVXLIPMNXEV-JOCHJYFZSA-N 1 0 457.622 4.514 50 0 JJAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160792 195368907 /nfs/dbraw/zinc/36/89/07/195368907.db2.gz UTUGWPSKTQMAEX-VQTJNVASSA-N 1 0 465.619 4.590 50 0 JJAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000058161781 195369163 /nfs/dbraw/zinc/36/91/63/195369163.db2.gz AMFXMZVAHRFMKS-MUUNZHRXSA-N 1 0 471.601 4.819 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000058164047 195369712 /nfs/dbraw/zinc/36/97/12/195369712.db2.gz XDWXIVQLGCZPEC-GOSISDBHSA-N 1 0 472.010 4.845 50 0 JJAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058178841 195372434 /nfs/dbraw/zinc/37/24/34/195372434.db2.gz ZBUJCBYBGOLZPI-JOCHJYFZSA-N 1 0 469.536 4.674 50 0 JJAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000058203067 195373484 /nfs/dbraw/zinc/37/34/84/195373484.db2.gz WKOAAGPKSFBHKS-OAHLLOKOSA-N 1 0 462.388 4.535 50 0 JJAARO CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000058217466 195373740 /nfs/dbraw/zinc/37/37/40/195373740.db2.gz JVZRARCVOJHXPK-XXAUWVGASA-N 1 0 465.638 4.586 50 0 JJAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1cccc2ccccc21 ZINC000059404471 195399141 /nfs/dbraw/zinc/39/91/41/195399141.db2.gz IPYFGXUZPWHEAR-QGZVFWFLSA-N 1 0 465.981 4.727 50 0 JJAARO CC(C)c1c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000059989987 195414298 /nfs/dbraw/zinc/41/42/98/195414298.db2.gz BMWVZKBOMUEKQR-IRXDYDNUSA-N 1 0 465.564 4.896 50 0 JJAARO CCCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000096281064 130026687 /nfs/dbraw/zinc/02/66/87/130026687.db2.gz FAXFMICCZYDRLL-UHFFFAOYSA-N 1 0 456.583 4.519 50 0 JJAARO O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000096402991 130079245 /nfs/dbraw/zinc/07/92/45/130079245.db2.gz DTYNPUUAJNLONK-AHAAGLQNSA-N 1 0 467.573 4.884 50 0 JJAARO Nc1c(NC(=O)NCC[NH+]2CCCCC2)c(-c2ccc(Cl)cc2)nn1-c1cc(F)ccc1F ZINC000034785745 518197772 /nfs/dbraw/zinc/19/77/72/518197772.db2.gz VTHAVXHEFIDOEB-UHFFFAOYSA-N 1 0 474.943 4.661 50 0 JJAARO CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c(=O)c23)C1 ZINC000021882621 518979611 /nfs/dbraw/zinc/97/96/11/518979611.db2.gz RXKFWNHZSMJYPX-SFHVURJKSA-N 1 0 484.710 4.545 50 0 JJAARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000014879531 519249143 /nfs/dbraw/zinc/24/91/43/519249143.db2.gz KFOILDGULDYFMK-HSZRJFAPSA-N 1 0 457.578 4.600 50 0 JJAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1Cl ZINC000020449895 519714944 /nfs/dbraw/zinc/71/49/44/519714944.db2.gz BVPUQBUWUKHWIL-NQIIRXRSSA-N 1 0 453.936 4.616 50 0 JJAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)s1 ZINC000014986776 519715640 /nfs/dbraw/zinc/71/56/40/519715640.db2.gz OUUZOMQBDRCHHV-HSZRJFAPSA-N 1 0 465.663 4.937 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307814 519880922 /nfs/dbraw/zinc/88/09/22/519880922.db2.gz JNTLSKWNYWFSLN-QHCPKHFHSA-N 1 0 495.595 4.935 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036304473 520094599 /nfs/dbraw/zinc/09/45/99/520094599.db2.gz JFDGWYCSRWECLC-OFNKIYASSA-N 1 0 467.610 4.980 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304316 520095561 /nfs/dbraw/zinc/09/55/61/520095561.db2.gz VMNFQEKWOORIOC-QHCPKHFHSA-N 1 0 467.610 4.837 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br ZINC000002915448 520620616 /nfs/dbraw/zinc/62/06/16/520620616.db2.gz IJTLDBVZVYMYGP-UHFFFAOYSA-N 1 0 498.347 4.639 50 0 JJAARO CCOc1ccc(CC(=O)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)cc1OCC ZINC000033084663 520938663 /nfs/dbraw/zinc/93/86/63/520938663.db2.gz RHGFJZHDJJNHJP-UHFFFAOYSA-N 1 0 476.621 4.664 50 0 JJAARO CCC[C@@]1(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014885954 520959727 /nfs/dbraw/zinc/95/97/27/520959727.db2.gz BPGLRWXJATWHBR-UHSQPCAPSA-N 1 0 475.633 4.835 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035126 521084538 /nfs/dbraw/zinc/08/45/38/521084538.db2.gz QDMIEYNHHDKBJB-HSZRJFAPSA-N 1 0 466.626 4.568 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000033035156 521085468 /nfs/dbraw/zinc/08/54/68/521085468.db2.gz TYQNKDGHNNJBGR-DEOSSOPVSA-N 1 0 478.637 4.713 50 0 JJAARO CCOc1ccc2nc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)sc2c1 ZINC000020383393 521300465 /nfs/dbraw/zinc/30/04/65/521300465.db2.gz SWSLGVQLDDJTED-UHFFFAOYSA-N 1 0 478.662 4.692 50 0 JJAARO CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000012413709 521370976 /nfs/dbraw/zinc/37/09/76/521370976.db2.gz YXHXTYDOJBOMSX-NRFANRHFSA-N 1 0 464.587 4.966 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc21 ZINC000006144605 521393828 /nfs/dbraw/zinc/39/38/28/521393828.db2.gz YEPHLCZVBLQZGX-JOCHJYFZSA-N 1 0 450.579 4.650 50 0 JJAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014754139 521526592 /nfs/dbraw/zinc/52/65/92/521526592.db2.gz RKEGCCHPJFLFSW-UHFFFAOYSA-N 1 0 457.574 4.667 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)C[C@H](O)COC(C)C ZINC000036249898 521678604 /nfs/dbraw/zinc/67/86/04/521678604.db2.gz XYAKCLOLUWCLFI-DEOSSOPVSA-N 1 0 451.611 4.976 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000020386429 521724891 /nfs/dbraw/zinc/72/48/91/521724891.db2.gz CPRHYAMRLGSPBZ-MRXNPFEDSA-N 1 0 454.596 4.817 50 0 JJAARO C[NH+](C)CCNC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000027025985 521773684 /nfs/dbraw/zinc/77/36/84/521773684.db2.gz HVEOMIFYKKVVTG-RCCKNPSSSA-N 1 0 472.372 4.702 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000016189152 522080374 /nfs/dbraw/zinc/08/03/74/522080374.db2.gz HDFYOPRWESQDGW-UHFFFAOYSA-N 1 0 478.401 4.999 50 0 JJAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COc3ccccc3)C2)cc1 ZINC000036146722 522161177 /nfs/dbraw/zinc/16/11/77/522161177.db2.gz RABCUAMOFGKPAM-BDYUSTAISA-N 1 0 494.035 4.841 50 0 JJAARO COc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)ccc1OCc1ccccc1 ZINC000012281725 522373639 /nfs/dbraw/zinc/37/36/39/522373639.db2.gz LCZZGBHXVFEHBB-XMMPIXPASA-N 1 0 466.622 4.560 50 0 JJAARO COC(=O)C1CC[NH+](Cc2ccc3c(c2)CN(C(=O)c2ccc(-c4ccccc4)cc2)CCO3)CC1 ZINC000012279219 522915233 /nfs/dbraw/zinc/91/52/33/522915233.db2.gz ZGJJMJSDTZOOCD-UHFFFAOYSA-N 1 0 484.596 4.773 50 0 JJAARO COCc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3-c3cccc(OC)c3)CC2)o1 ZINC000014986695 522971172 /nfs/dbraw/zinc/97/11/72/522971172.db2.gz QDSLKMIWIFCJFQ-DEOSSOPVSA-N 1 0 498.649 4.666 50 0 JJAARO COCc1ccc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)o1 ZINC000014961448 522974270 /nfs/dbraw/zinc/97/42/70/522974270.db2.gz HXQFTPRBCCHCKO-HSZRJFAPSA-N 1 0 496.677 4.911 50 0 JJAARO CC[C@@H](O)C[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](C)CC ZINC000036309831 522990201 /nfs/dbraw/zinc/99/02/01/522990201.db2.gz DBNWJYYACMNNQO-NOXFTYBFSA-N 1 0 462.631 4.511 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021811100 523019648 /nfs/dbraw/zinc/01/96/48/523019648.db2.gz PZKXVMUUWQJJGR-ADGLOZSKSA-N 1 0 482.669 4.798 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)cc3n2)cc1 ZINC000012370990 523105594 /nfs/dbraw/zinc/10/55/94/523105594.db2.gz PVOVSLQURVPQML-LAUBAEHRSA-N 1 0 488.510 4.845 50 0 JJAARO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206304 523173408 /nfs/dbraw/zinc/17/34/08/523173408.db2.gz UZXHUALKYXWKRU-OAQYLSRUSA-N 1 0 499.677 4.828 50 0 JJAARO CN(Cc1ccc2nccnc2c1)C(=O)CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014990234 523284798 /nfs/dbraw/zinc/28/47/98/523284798.db2.gz CXNODHDRGKRMTF-MHZLTWQESA-N 1 0 452.558 4.614 50 0 JJAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014750560 523289961 /nfs/dbraw/zinc/28/99/61/523289961.db2.gz ZOJHDECVWWDBIN-UHFFFAOYSA-N 1 0 489.538 4.541 50 0 JJAARO COc1ccc(-n2cc(C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)c3ccccc3c2=O)cc1 ZINC000020508865 523327021 /nfs/dbraw/zinc/32/70/21/523327021.db2.gz VRQYXPOGYJLBML-UHFFFAOYSA-N 1 0 495.623 4.950 50 0 JJAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000014531806 523608857 /nfs/dbraw/zinc/60/88/57/523608857.db2.gz NUDYEAJGXFKKQD-HXUWFJFHSA-N 1 0 463.651 4.690 50 0 JJAARO CN(c1ccccc1)c1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000014883060 523653127 /nfs/dbraw/zinc/65/31/27/523653127.db2.gz MRHLIWDEJIBGFB-RUZDIDTESA-N 1 0 459.590 4.991 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)C ZINC000036305071 523734393 /nfs/dbraw/zinc/73/43/93/523734393.db2.gz AMQGMVLYXDASKB-JOCHJYFZSA-N 1 0 488.028 4.767 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COC(C)(C)C ZINC000036307456 523735159 /nfs/dbraw/zinc/73/51/59/523735159.db2.gz ZYFWGPVEVYITKH-JOCHJYFZSA-N 1 0 485.600 4.643 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COC(C)(C)C ZINC000036306327 523735216 /nfs/dbraw/zinc/73/52/16/523735216.db2.gz GEWGQQJGMPMAGH-QHCPKHFHSA-N 1 0 481.637 4.812 50 0 JJAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)CC2)s1 ZINC000033078240 523848902 /nfs/dbraw/zinc/84/89/02/523848902.db2.gz SMXOBDVGDCWQAB-UHFFFAOYSA-N 1 0 491.705 4.807 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)C2)s1 ZINC000033078370 523849656 /nfs/dbraw/zinc/84/96/56/523849656.db2.gz SVIWLPBAKPMCBX-QHCPKHFHSA-N 1 0 491.705 4.807 50 0 JJAARO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccco3)C2)cc1 ZINC000036146648 523881479 /nfs/dbraw/zinc/88/14/79/523881479.db2.gz DGCCVKRRKORTGX-DHLKQENFSA-N 1 0 484.980 4.515 50 0 JJAARO CC[C@H](C)[N@H+](CCNC(=O)C1CCN(c2nc3cc(C)ccc3[nH]2)CC1)Cc1cccs1 ZINC000033070901 523935902 /nfs/dbraw/zinc/93/59/02/523935902.db2.gz HYDMOWWEUYLVCT-IBGZPJMESA-N 1 0 453.656 4.566 50 0 JJAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000012281631 523950935 /nfs/dbraw/zinc/95/09/35/523950935.db2.gz DZBLHVNZJRADLI-AREMUKBSSA-N 1 0 478.658 4.715 50 0 JJAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000012281630 523951409 /nfs/dbraw/zinc/95/14/09/523951409.db2.gz DZBLHVNZJRADLI-SANMLTNESA-N 1 0 478.658 4.715 50 0 JJAARO CCc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000012413361 523964965 /nfs/dbraw/zinc/96/49/65/523964965.db2.gz LJJRBOYJNVHOSW-DEOSSOPVSA-N 1 0 469.423 4.727 50 0 JJAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](Cc1[nH]c3ccc(C)cc3c1C)CC2 ZINC000014884879 524022838 /nfs/dbraw/zinc/02/28/38/524022838.db2.gz DIDIMUDBJYZMCP-SXOMAYOGSA-N 1 0 477.674 4.867 50 0 JJAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([N@H+](C)Cc1cc3ccccc3s1)CC2 ZINC000014732687 524032620 /nfs/dbraw/zinc/03/26/20/524032620.db2.gz FUFAOMIYSZVKHH-OAQYLSRUSA-N 1 0 458.631 4.837 50 0 JJAARO CN(C(=O)C[NH+](C)C)[C@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1 ZINC000012457048 524041913 /nfs/dbraw/zinc/04/19/13/524041913.db2.gz BFEPMLXPXNKCQS-AREMUKBSSA-N 1 0 491.607 4.569 50 0 JJAARO Cc1cccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037358991 524147148 /nfs/dbraw/zinc/14/71/48/524147148.db2.gz DZPDBSJCIGBNJN-UHFFFAOYSA-N 1 0 462.001 4.924 50 0 JJAARO C[C@H](CCNC(=O)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)[NH+]1CCCCCC1 ZINC000065002558 524191788 /nfs/dbraw/zinc/19/17/88/524191788.db2.gz XMLLJHQEAGMAFH-XMMPIXPASA-N 1 0 485.676 4.946 50 0 JJAARO Cc1cc(C)c(C[NH+]2CCC([C@]3(Cc4ccccc4)NC(=O)N(Cc4cccnc4)C3=O)CC2)cc1C ZINC000014983053 524261375 /nfs/dbraw/zinc/26/13/75/524261375.db2.gz LCJDSLCKRUCDBL-HKBQPEDESA-N 1 0 496.655 4.952 50 0 JJAARO C[C@H]1CCc2c(sc3nc(C[N@H+](C[C@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000036161366 524438055 /nfs/dbraw/zinc/43/80/55/524438055.db2.gz XMOWRIKPWSDFRI-UGKGYDQZSA-N 1 0 495.689 4.822 50 0 JJAARO COc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4ccc5ccccc5c4)CC3)CC2)cc1 ZINC000034912154 524472220 /nfs/dbraw/zinc/47/22/20/524472220.db2.gz DHWUPBLVAAESBC-UHFFFAOYSA-N 1 0 471.601 4.804 50 0 JJAARO C[C@@H](CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)[NH+]1CCCC1 ZINC000033115988 524486266 /nfs/dbraw/zinc/48/62/66/524486266.db2.gz VQZIKJBCEGDHDT-NRFANRHFSA-N 1 0 488.632 4.728 50 0 JJAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccnc4)CC3)cc3ccccc32)c1 ZINC000008602152 524491749 /nfs/dbraw/zinc/49/17/49/524491749.db2.gz HGOPAJQQZYYMCQ-UHFFFAOYSA-N 1 0 452.602 4.921 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302280 524693940 /nfs/dbraw/zinc/69/39/40/524693940.db2.gz ACKLKDJIRUZXPG-XMMPIXPASA-N 1 0 479.621 4.980 50 0 JJAARO C[C@@H](CNS(=O)(=O)c1ccc2ccccc2c1)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000012325633 524746623 /nfs/dbraw/zinc/74/66/23/524746623.db2.gz ARJJYLBYHUENNS-FQEVSTJZSA-N 1 0 464.587 4.811 50 0 JJAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4cccnc4)CC3)cc3ccccc32)cc1 ZINC000008606978 524767599 /nfs/dbraw/zinc/76/75/99/524767599.db2.gz ZBSRMVWYMSXQHP-UHFFFAOYSA-N 1 0 452.602 4.921 50 0 JJAARO Cc1cccc(Oc2nccnc2N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000033288279 524791173 /nfs/dbraw/zinc/79/11/73/524791173.db2.gz JCZCNLXLQUTEQG-UHFFFAOYSA-N 1 0 485.632 4.575 50 0 JJAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4cc(Br)ccc4c3)CC2)c(C)c1 ZINC000016319395 524964499 /nfs/dbraw/zinc/96/44/99/524964499.db2.gz JWAZZBGPJFOMSM-QHCPKHFHSA-N 1 0 469.423 4.781 50 0 JJAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014972917 525094567 /nfs/dbraw/zinc/09/45/67/525094567.db2.gz ZEKYIJQKWJEPPC-JOCHJYFZSA-N 1 0 491.639 4.718 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181204 525208304 /nfs/dbraw/zinc/20/83/04/525208304.db2.gz HXNVGLQVDKZJJA-JRWMAURKSA-N 1 0 481.637 4.790 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2cccs2)C1 ZINC000021860042 525382710 /nfs/dbraw/zinc/38/27/10/525382710.db2.gz VFOOVPBBHGNPRT-PHVLTXCSSA-N 1 0 492.689 4.602 50 0 JJAARO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)ccc1F ZINC000012521330 525421600 /nfs/dbraw/zinc/42/16/00/525421600.db2.gz JGHDALCDBPNNLJ-UHFFFAOYSA-N 1 0 487.641 4.854 50 0 JJAARO Cc1[nH]c2ccc(C(=O)N3CCC(Oc4ccc(C[N@@H+](C)Cc5cnn(C)c5)cc4)CC3)cc2c1C ZINC000012329808 525422875 /nfs/dbraw/zinc/42/28/75/525422875.db2.gz LCSRDBOOJVCMEG-UHFFFAOYSA-N 1 0 485.632 4.834 50 0 JJAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](CCC(C)C)C[C@@H](C)O)c(C)c1 ZINC000036310132 525441225 /nfs/dbraw/zinc/44/12/25/525441225.db2.gz XHBHCFTYTJAZIQ-GGAORHGYSA-N 1 0 458.668 4.599 50 0 JJAARO 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 525619380 /nfs/dbraw/zinc/61/93/80/525619380.db2.gz TWUKPJNGRBWVGE-VQBVJERFSA-N 1 0 481.677 4.717 50 0 in-vitro JJAARO COc1ccc2nc(NC(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)sc2c1 ZINC000022800843 525672352 /nfs/dbraw/zinc/67/23/52/525672352.db2.gz JSMDPHDGJSLUFX-UHFFFAOYSA-N 1 0 472.614 4.651 50 0 JJAARO Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000033168700 525674173 /nfs/dbraw/zinc/67/41/73/525674173.db2.gz OWXFGVILXUYRQK-JOCHJYFZSA-N 1 0 479.694 4.630 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000014977263 525747981 /nfs/dbraw/zinc/74/79/81/525747981.db2.gz LXIYLHAVFHVZLJ-QHCPKHFHSA-N 1 0 468.623 4.828 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000014987320 525748855 /nfs/dbraw/zinc/74/88/55/525748855.db2.gz NKDNMDFSXIIGPD-JOCHJYFZSA-N 1 0 470.664 4.988 50 0 JJAARO C[C@@]1(C2CC[NH+](Cc3cc4ccccc4s3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012197706 525825174 /nfs/dbraw/zinc/82/51/74/525825174.db2.gz JHLHOEYAWHPSSC-VWLOTQADSA-N 1 0 451.567 4.763 50 0 JJAARO Cc1ccc(-n2cc3c(c(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000065000429 525910684 /nfs/dbraw/zinc/91/06/84/525910684.db2.gz ALVDPLVRWGAKCF-UHFFFAOYSA-N 1 0 497.639 4.695 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698275 525981108 /nfs/dbraw/zinc/98/11/08/525981108.db2.gz MSWSUAMTZHREBQ-MUUNZHRXSA-N 1 0 487.575 4.863 50 0 JJAARO CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC(C)C)cc1 ZINC000014741148 525990134 /nfs/dbraw/zinc/99/01/34/525990134.db2.gz KKBLDDOUWKRMSL-UHFFFAOYSA-N 1 0 477.674 4.831 50 0 JJAARO C[C@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116012 526049050 /nfs/dbraw/zinc/04/90/50/526049050.db2.gz CVQGQQLASCLXMQ-NRFANRHFSA-N 1 0 488.632 4.585 50 0 JJAARO Cc1cc(=O)c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C2CC2)n1Cc1cccs1 ZINC000014989678 526126925 /nfs/dbraw/zinc/12/69/25/526126925.db2.gz DDLUNTDFZXNDKT-UHFFFAOYSA-N 1 0 491.701 4.871 50 0 JJAARO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146528 526291074 /nfs/dbraw/zinc/29/10/74/526291074.db2.gz XOYBHBJCMBJACM-ZCYQVOJMSA-N 1 0 450.966 4.775 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035483 526305982 /nfs/dbraw/zinc/30/59/82/526305982.db2.gz WHXFWNUXBCVCBF-NRFANRHFSA-N 1 0 455.002 4.577 50 0 JJAARO O=C(NCCc1ccccn1)[C@H]1CC12CC[NH+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000014997390 526433873 /nfs/dbraw/zinc/43/38/73/526433873.db2.gz CAKGXSCHAUFTSI-MUUNZHRXSA-N 1 0 491.639 4.895 50 0 JJAARO Cc1noc(C)c1C(=O)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014878868 526468964 /nfs/dbraw/zinc/46/89/64/526468964.db2.gz FADJNDQPSYOEPC-UHFFFAOYSA-N 1 0 475.589 4.507 50 0 JJAARO c1cncc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000014977436 526545749 /nfs/dbraw/zinc/54/57/49/526545749.db2.gz CACYGGZPZHIYPA-QHCPKHFHSA-N 1 0 455.672 4.904 50 0 JJAARO c1nc2c3c4c(sc3nc(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)n2n1)CCC4 ZINC000020502145 526608421 /nfs/dbraw/zinc/60/84/21/526608421.db2.gz WNQJNIFNWHTEAS-UHFFFAOYSA-N 1 0 466.614 4.739 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+][C@@H](c3ccncc3)c3ccc(Cl)cc3)CC2)cc1)N1CCOCC1 ZINC000014990261 526697367 /nfs/dbraw/zinc/69/73/67/526697367.db2.gz SWJVRRWKYSZCNA-HHHXNRCGSA-N 1 0 491.035 4.555 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+][C@H](c3ccncc3)c3ccc(Cl)cc3)CC2)cc1)N1CCOCC1 ZINC000014990262 526697391 /nfs/dbraw/zinc/69/73/91/526697391.db2.gz SWJVRRWKYSZCNA-MHZLTWQESA-N 1 0 491.035 4.555 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)Cc1ccccn1 ZINC000012218212 526727985 /nfs/dbraw/zinc/72/79/85/526727985.db2.gz KNFRTFAJUSLFPA-UHFFFAOYSA-N 1 0 473.573 4.518 50 0 JJAARO O=C(NCc1ccccc1F)c1ccc(N2CCC([N@@H+]3CCOc4ccccc4C3)CC2)cc1 ZINC000014996204 526752172 /nfs/dbraw/zinc/75/21/72/526752172.db2.gz WQQZCHWBTVACSA-UHFFFAOYSA-N 1 0 459.565 4.619 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccccc1OC(F)(F)F ZINC000014958707 526992707 /nfs/dbraw/zinc/99/27/07/526992707.db2.gz WCHYVGVBKGETSZ-MRXNPFEDSA-N 1 0 470.875 4.638 50 0 JJAARO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000033326925 527004540 /nfs/dbraw/zinc/00/45/40/527004540.db2.gz MJKSPCCPNUMMOE-UHFFFAOYSA-N 1 0 495.605 4.845 50 0 JJAARO [NH2+]=C1NC(SCC(=O)N(c2ccccc2)c2ccccc2)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579231 527137400 /nfs/dbraw/zinc/13/74/00/527137400.db2.gz GBVHLJKJYUHMSV-QHCPKHFHSA-N 1 0 454.559 4.539 50 0 JJAARO O=C(Nc1ccc(F)cc1)C1CC[NH+](C2CCN(C(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000034912083 527200273 /nfs/dbraw/zinc/20/02/73/527200273.db2.gz GCNOINFBODUFEZ-UHFFFAOYSA-N 1 0 459.565 4.934 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC[C@@H]3CC[N@H+](Cc4ccc(C)cc4)C3)c12 ZINC000020516810 527523160 /nfs/dbraw/zinc/52/31/60/527523160.db2.gz LMJGRIFFJHNXTC-DEOSSOPVSA-N 1 0 467.617 4.906 50 0 JJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000012281008 527571291 /nfs/dbraw/zinc/57/12/91/527571291.db2.gz IECVDSIFJXOGGX-UHFFFAOYSA-N 1 0 474.609 4.718 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002159 527664989 /nfs/dbraw/zinc/66/49/89/527664989.db2.gz WIWLZYGWXIXKRD-UHFFFAOYSA-N 1 0 492.067 4.821 50 0 JJAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515301 527674490 /nfs/dbraw/zinc/67/44/90/527674490.db2.gz JFZIGSQNDQRLCN-YTTGMZPUSA-N 1 0 471.022 4.560 50 0 JJAARO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)cc2)N2NC(C)=NC2=N3)cc1 ZINC000000638083 553722127 /nfs/dbraw/zinc/72/21/27/553722127.db2.gz VOXLWZDTUPMREE-IZZNHLLZSA-N 1 0 452.514 4.898 50 0 JJAARO COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC[NH+]2CCCCC2)cc1 ZINC000000907133 553839713 /nfs/dbraw/zinc/83/97/13/553839713.db2.gz JQLUXXLBSSTXHZ-UHFFFAOYSA-N 1 0 470.668 4.553 50 0 JJAARO CC(C)(C)[C@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH2+]C2CC2)CCCCC1 ZINC000001030844 553900805 /nfs/dbraw/zinc/90/08/05/553900805.db2.gz QVIPCNZDKHIVBL-SFTDATJTSA-N 1 0 485.036 4.694 50 0 JJAARO C[C@@H]1CN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000002050028 554010145 /nfs/dbraw/zinc/01/01/45/554010145.db2.gz ZLCACGSPGUYXIP-ZIAGYGMSSA-N 1 0 458.791 4.808 50 0 JJAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002312249 554144053 /nfs/dbraw/zinc/14/40/53/554144053.db2.gz ZVQRTCLYWSBZKM-INIZCTEOSA-N 1 0 498.421 4.999 50 0 JJAARO COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC ZINC000002693138 554289522 /nfs/dbraw/zinc/28/95/22/554289522.db2.gz DDXNXGQPKCCKDA-UHFFFAOYSA-N 1 0 471.532 4.949 50 0 JJAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000002890375 554409177 /nfs/dbraw/zinc/40/91/77/554409177.db2.gz BVSUCORMFBQNTJ-HXUWFJFHSA-N 1 0 473.342 4.582 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000003657941 554469330 /nfs/dbraw/zinc/46/93/30/554469330.db2.gz ZONPMJINROAUIX-IZLXSDGUSA-N 1 0 485.628 4.634 50 0 JJAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(Cc2ccccc2)c1C[NH+]1CCCC1 ZINC000005225625 554487601 /nfs/dbraw/zinc/48/76/01/554487601.db2.gz DMVXZZUVQMMORA-UHFFFAOYSA-N 1 0 457.368 4.930 50 0 JJAARO CCCC[N@H+](CCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000008812940 554694825 /nfs/dbraw/zinc/69/48/25/554694825.db2.gz BYBCNVMOLSVNQW-FQEVSTJZSA-N 1 0 459.993 4.641 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000008834889 554732983 /nfs/dbraw/zinc/73/29/83/554732983.db2.gz TVNCXPAJROAMOV-JOCHJYFZSA-N 1 0 482.964 4.510 50 0 JJAARO CCOc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c2ccccc12 ZINC000008856132 554752055 /nfs/dbraw/zinc/75/20/55/554752055.db2.gz BARVXKPHQPAFHP-UHFFFAOYSA-N 1 0 454.636 4.514 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3ccc(OC)cc3)cc2C(F)(F)F)c1Cl ZINC000008892285 554780579 /nfs/dbraw/zinc/78/05/79/554780579.db2.gz BGHAJECVPPLIMK-UHFFFAOYSA-N 1 0 483.922 4.539 50 0 JJAARO COc1ccc([C@H]2c3cc(OC)c(OC)cc3Cc3c4cc(OC)c(OC)cc4cc[n+]32)cc1 ZINC000008964495 554838552 /nfs/dbraw/zinc/83/85/52/554838552.db2.gz ONOCPSVMUPHQSP-NDEPHWFRSA-N 1 0 458.534 4.712 50 0 biogenic JJAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(C)c(Br)c2)CC1 ZINC000008989741 554851220 /nfs/dbraw/zinc/85/12/20/554851220.db2.gz LVWKBSPWHRKKSU-UHFFFAOYSA-N 1 0 473.411 4.683 50 0 JJAARO Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)o1 ZINC000009115486 554902324 /nfs/dbraw/zinc/90/23/24/554902324.db2.gz MWRJFCHLJXJNFD-YTTGMZPUSA-N 1 0 452.620 4.926 50 0 JJAARO CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000009151184 554937357 /nfs/dbraw/zinc/93/73/57/554937357.db2.gz ZRWDWBOMZZCTEF-UHFFFAOYSA-N 1 0 493.490 4.724 50 0 JJAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000009151874 554939220 /nfs/dbraw/zinc/93/92/20/554939220.db2.gz XLLKKGJOCYWXMD-UHFFFAOYSA-N 1 0 454.415 4.646 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)o2)c2ccccc2c1=O ZINC000009227617 555000592 /nfs/dbraw/zinc/00/05/92/555000592.db2.gz XUQILEYNPBDLTH-UHFFFAOYSA-N 1 0 450.583 4.948 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227836 555001034 /nfs/dbraw/zinc/00/10/34/555001034.db2.gz CKPRCYHFDFEVOD-QHCPKHFHSA-N 1 0 495.668 4.509 50 0 JJAARO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000009251651 555026047 /nfs/dbraw/zinc/02/60/47/555026047.db2.gz APUJIWJYFIULBB-QFIPXVFZSA-N 1 0 469.589 4.912 50 0 JJAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(Cl)c(Cl)c2)N(CCC[NH+](C)C)C1=O ZINC000009302749 555075861 /nfs/dbraw/zinc/07/58/61/555075861.db2.gz JIZGMRWRFBXQGR-HXUWFJFHSA-N 1 0 461.345 4.605 50 0 JJAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009377058 555138339 /nfs/dbraw/zinc/13/83/39/555138339.db2.gz PNEAYPFFWBGROO-GAJHUEQPSA-N 1 0 476.042 4.583 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402975 555161015 /nfs/dbraw/zinc/16/10/15/555161015.db2.gz QHAAJNXBRWTNOE-DVECYGJZSA-N 1 0 483.659 4.813 50 0 JJAARO O=C1c2ccccc2[C@H](OC2CC[NH+](Cc3ccccc3)CC2)N1Cc1ccc2c(c1)OCO2 ZINC000009425543 555190331 /nfs/dbraw/zinc/19/03/31/555190331.db2.gz KSOOGPDMMADJPE-NDEPHWFRSA-N 1 0 456.542 4.751 50 0 JJAARO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C)c1 ZINC000009434023 555204697 /nfs/dbraw/zinc/20/46/97/555204697.db2.gz BCWYEJITGQZWRG-XMMPIXPASA-N 1 0 486.612 4.513 50 0 JJAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009435767 555207400 /nfs/dbraw/zinc/20/74/00/555207400.db2.gz LIUNURVBBJIKTO-GOSISDBHSA-N 1 0 463.578 4.635 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(OCc3csc(C)n3)cc2)[NH+]2CCCC2)cc1 ZINC000009495613 555280235 /nfs/dbraw/zinc/28/02/35/555280235.db2.gz DJDKTIHBYDLEHK-XMMPIXPASA-N 1 0 451.592 4.606 50 0 JJAARO CC[NH+]1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000009531197 555326099 /nfs/dbraw/zinc/32/60/99/555326099.db2.gz STXADDXLTTUWPD-UHFFFAOYSA-N 1 0 462.395 4.992 50 0 JJAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)c3ccccc3n2)cc1OC ZINC000013140289 555337086 /nfs/dbraw/zinc/33/70/86/555337086.db2.gz GDPMPIOBOVLEFC-VWLOTQADSA-N 1 0 455.558 4.952 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)c1ccccc1 ZINC000009672621 555395437 /nfs/dbraw/zinc/39/54/37/555395437.db2.gz QFGPPKABCRPRLJ-QGZVFWFLSA-N 1 0 497.568 4.692 50 0 JJAARO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000009674032 555398632 /nfs/dbraw/zinc/39/86/32/555398632.db2.gz VZMNVUPGADIXKV-UHFFFAOYSA-N 1 0 482.628 4.787 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674070 555398741 /nfs/dbraw/zinc/39/87/41/555398741.db2.gz FPIFIPOPJZAZRM-UHFFFAOYSA-N 1 0 450.627 4.850 50 0 JJAARO COc1ccc(Nc2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000009680662 555408589 /nfs/dbraw/zinc/40/85/89/555408589.db2.gz CHRHIOUYJQOIKT-UHFFFAOYSA-N 1 0 470.573 4.857 50 0 JJAARO CCOC(=O)C1CC[NH+]([C@@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(OC)c2)CC1 ZINC000009594127 555409848 /nfs/dbraw/zinc/40/98/48/555409848.db2.gz YGMMAUFQOSGUSA-XMMPIXPASA-N 1 0 470.635 4.958 50 0 JJAARO Cc1ccc(C)c(C[NH+]2CCC(CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CCC5)CC2)c1 ZINC000009685733 555414617 /nfs/dbraw/zinc/41/46/17/555414617.db2.gz WRJAXWYVYOYWLY-UHFFFAOYSA-N 1 0 493.673 4.803 50 0 JJAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000009603950 555430609 /nfs/dbraw/zinc/43/06/09/555430609.db2.gz YUMMLVBUDZSUTI-UHFFFAOYSA-N 1 0 454.415 4.727 50 0 JJAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3cccc(C(F)(F)F)c3)nc21 ZINC000009604183 555430638 /nfs/dbraw/zinc/43/06/38/555430638.db2.gz HRYVINDGPYCYRY-UHFFFAOYSA-N 1 0 453.486 4.541 50 0 JJAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000009711969 555435023 /nfs/dbraw/zinc/43/50/23/555435023.db2.gz XEIHSPRCFUBQFZ-GOSISDBHSA-N 1 0 470.923 4.517 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009712225 555435980 /nfs/dbraw/zinc/43/59/80/555435980.db2.gz MHJFEMQLVCJCDR-HSZRJFAPSA-N 1 0 456.546 4.708 50 0 JJAARO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c12 ZINC000009610390 555440735 /nfs/dbraw/zinc/44/07/35/555440735.db2.gz WXXJETRHAXMASJ-GOSISDBHSA-N 1 0 452.002 4.685 50 0 JJAARO CCCC[N@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1)Cc1ccccc1 ZINC000009731551 555468759 /nfs/dbraw/zinc/46/87/59/555468759.db2.gz QMYJHUVJHVYEIQ-UHFFFAOYSA-N 1 0 498.645 4.684 50 0 JJAARO CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000013524171 555486810 /nfs/dbraw/zinc/48/68/10/555486810.db2.gz WMKPTGOSRIGQDX-UHFFFAOYSA-N 1 0 491.607 4.950 50 0 JJAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776611 555494839 /nfs/dbraw/zinc/49/48/39/555494839.db2.gz ZUCHEXKCDLMRBF-XCZPVHLTSA-N 1 0 493.648 4.570 50 0 JJAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776609 555494869 /nfs/dbraw/zinc/49/48/69/555494869.db2.gz ZUCHEXKCDLMRBF-IAPPQJPRSA-N 1 0 493.648 4.570 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009782121 555502731 /nfs/dbraw/zinc/50/27/31/555502731.db2.gz RGRQILRCDUCMEN-UHFFFAOYSA-N 1 0 466.585 4.942 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000009804828 555516560 /nfs/dbraw/zinc/51/65/60/555516560.db2.gz LONHDMCVZUSNEC-WOJBJXKFSA-N 1 0 460.574 4.914 50 0 JJAARO CN(C)c1cc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1 ZINC000019892871 555531218 /nfs/dbraw/zinc/53/12/18/555531218.db2.gz BFUONZHTPADGAQ-UHFFFAOYSA-N 1 0 479.628 4.647 50 0 JJAARO COc1ccc(CC[NH2+]C[C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1OC ZINC000009835508 555540453 /nfs/dbraw/zinc/54/04/53/555540453.db2.gz KGBAGMMEYDMGKD-ZEQKJWHPSA-N 1 0 480.992 4.661 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)C3)sc2c1 ZINC000009848154 555550296 /nfs/dbraw/zinc/55/02/96/555550296.db2.gz BCLKQHHNVNWSIB-ZCNNSNEGSA-N 1 0 458.672 4.681 50 0 JJAARO COc1ccc(-c2nc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)cc1OC ZINC000013727004 555600905 /nfs/dbraw/zinc/60/09/05/555600905.db2.gz CLYVKIQFTNTHLB-UHFFFAOYSA-N 1 0 451.592 4.530 50 0 JJAARO C[NH+](C)CCCN1C(=S)N=NC1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000020028575 555603702 /nfs/dbraw/zinc/60/37/02/555603702.db2.gz MDIOIQRBGVRWAR-GDBMZVCRSA-N 1 0 485.967 4.696 50 0 JJAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCC[N@@H+](C)Cc3ccccc3)cc12 ZINC000020104901 555637766 /nfs/dbraw/zinc/63/77/66/555637766.db2.gz SISNSLXMOMAANE-UHFFFAOYSA-N 1 0 487.648 4.500 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000020109995 555645900 /nfs/dbraw/zinc/64/59/00/555645900.db2.gz NIQQYPFLVJDPTL-KRWDZBQOSA-N 1 0 470.520 4.567 50 0 JJAARO CCOC(=O)C1=C(C[NH+]2CCC(Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000013960543 555663807 /nfs/dbraw/zinc/66/38/07/555663807.db2.gz WHGRZLYSJYUADE-SANMLTNESA-N 1 0 461.606 4.545 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000014079258 555681135 /nfs/dbraw/zinc/68/11/35/555681135.db2.gz ZGTIMYHNIDQZMG-MUUNZHRXSA-N 1 0 495.627 4.959 50 0 JJAARO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000014077834 555681194 /nfs/dbraw/zinc/68/11/94/555681194.db2.gz AOFHCHAVYAJAQI-UHFFFAOYSA-N 1 0 467.585 4.543 50 0 JJAARO O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000020181391 555688167 /nfs/dbraw/zinc/68/81/67/555688167.db2.gz CSVSOZWSFKZGFN-HAVVHWLPSA-N 1 0 470.038 4.812 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 ZINC000020181291 555688215 /nfs/dbraw/zinc/68/82/15/555688215.db2.gz LNPLFNCMRKJJHI-KWZPGYENSA-N 1 0 477.674 4.959 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2c(F)cccc2F)C4)cs1 ZINC000020210327 555703169 /nfs/dbraw/zinc/70/31/69/555703169.db2.gz SAGLBTIJVXPDJN-OCCSQVGLSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(F)c2)C4)cs1 ZINC000020212225 555705298 /nfs/dbraw/zinc/70/52/98/555705298.db2.gz KHSULEJEDUEVFC-DYVFJYSZSA-N 1 0 454.596 4.618 50 0 JJAARO O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456782 555717333 /nfs/dbraw/zinc/71/73/33/555717333.db2.gz ZGZDGZOSWQTCCX-UHFFFAOYSA-N 1 0 490.604 4.566 50 0 JJAARO CSc1ccc(NC(=O)COc2ccc(-c3ccc(F)cc3)cc2CN2CC[NH+](C)CC2)cc1 ZINC000020236031 555729143 /nfs/dbraw/zinc/72/91/43/555729143.db2.gz KEWRGQDCJPJRGX-UHFFFAOYSA-N 1 0 479.621 4.980 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)CC3)c(C)o2)cc1OC ZINC000020240692 555736227 /nfs/dbraw/zinc/73/62/27/555736227.db2.gz DCMPLSUFHVOKNO-NPPFBWRTSA-N 1 0 469.626 4.820 50 0 JJAARO C[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241421 555736808 /nfs/dbraw/zinc/73/68/08/555736808.db2.gz CXRHZOAHPAZNFT-BVFJVTDLSA-N 1 0 466.453 4.624 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)cc2)CC1 ZINC000010865500 555744196 /nfs/dbraw/zinc/74/41/96/555744196.db2.gz DPUCJGPMHYNSPI-UHFFFAOYSA-N 1 0 458.566 4.666 50 0 JJAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000014242388 555744356 /nfs/dbraw/zinc/74/43/56/555744356.db2.gz CDHCBXCZTHDYAG-HSZRJFAPSA-N 1 0 459.615 4.730 50 0 JJAARO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000011093898 555759223 /nfs/dbraw/zinc/75/92/23/555759223.db2.gz AXXUVBBSFCXUBR-RNODOKPDSA-N 1 0 451.336 4.673 50 0 JJAARO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000011093906 555759265 /nfs/dbraw/zinc/75/92/65/555759265.db2.gz AXXUVBBSFCXUBR-ZUOKHONESA-N 1 0 451.336 4.673 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000011652455 555794246 /nfs/dbraw/zinc/79/42/46/555794246.db2.gz YYNLZHXGEQJXFC-FCHUYYIVSA-N 1 0 462.421 4.701 50 0 JJAARO Cc1[nH]c2ccccc2c1C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014530498 555817385 /nfs/dbraw/zinc/81/73/85/555817385.db2.gz WESHISRNTHOXMY-UHFFFAOYSA-N 1 0 487.648 4.759 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](C[C@H]3CC=CCC3)CC2)N1CCc1ccccc1 ZINC000014531439 555818603 /nfs/dbraw/zinc/81/86/03/555818603.db2.gz LLXNUYKTWBPVAN-VWLOTQADSA-N 1 0 457.618 4.884 50 0 JJAARO Cc1cccc(CNC(=O)[C@H]2CC23CC[NH+](Cc2cccc(OCc4ccccc4)c2)CC3)n1 ZINC000011786159 555818947 /nfs/dbraw/zinc/81/89/47/555818947.db2.gz KKTQOAXAKVQFBW-HHHXNRCGSA-N 1 0 455.602 4.888 50 0 JJAARO CC1(C)CCC[C@H]([NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CCc2ccccc2)C1 ZINC000014531911 555819306 /nfs/dbraw/zinc/81/93/06/555819306.db2.gz ZQJHKGRBNICRGV-VWLOTQADSA-N 1 0 474.649 4.892 50 0 JJAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014533910 555822262 /nfs/dbraw/zinc/82/22/62/555822262.db2.gz BJBIYAODKITHCQ-UHFFFAOYSA-N 1 0 473.573 4.774 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cc(C(F)(F)F)ccc1F ZINC000011788995 555823642 /nfs/dbraw/zinc/82/36/42/555823642.db2.gz DIGDXOGCZTYQIB-INIZCTEOSA-N 1 0 472.866 4.898 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3c(F)cccc3Cl)CC2)N1Cc1ccccc1 ZINC000014534834 555823649 /nfs/dbraw/zinc/82/36/49/555823649.db2.gz ZSVMKPUCMVFDKD-UHFFFAOYSA-N 1 0 492.982 4.873 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+]([C@H](C)Cc4cccc(OC)c4)CC3)C2=O)cc1 ZINC000014535110 555823975 /nfs/dbraw/zinc/82/39/75/555823975.db2.gz UIPWBAHAXFYLKJ-JOCHJYFZSA-N 1 0 493.648 4.590 50 0 JJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cccc(C)c3)C2)cc1 ZINC000011789835 555824862 /nfs/dbraw/zinc/82/48/62/555824862.db2.gz RFIDSAZTRJHIKO-FTJBHMTQSA-N 1 0 486.641 4.703 50 0 JJAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000014536516 555825748 /nfs/dbraw/zinc/82/57/48/555825748.db2.gz SWVOFQHYGPEWEI-UHFFFAOYSA-N 1 0 462.619 4.548 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000014538092 555827765 /nfs/dbraw/zinc/82/77/65/555827765.db2.gz JVDVYDZVSUCTGV-UHFFFAOYSA-N 1 0 489.591 4.814 50 0 JJAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1C(F)(F)F)CC2 ZINC000014539309 555828989 /nfs/dbraw/zinc/82/89/89/555828989.db2.gz ACOOPKSYIXYMJX-UHFFFAOYSA-N 1 0 488.554 4.946 50 0 JJAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3CCCOC)o1 ZINC000014542447 555833409 /nfs/dbraw/zinc/83/34/09/555833409.db2.gz HIWHLWLSAOOJFM-UHFFFAOYSA-N 1 0 489.616 4.831 50 0 JJAARO O=C([C@@H]1Cc2ccccc2O1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000015000140 555844712 /nfs/dbraw/zinc/84/47/12/555844712.db2.gz VFOAPHPLTAJVND-PMERELPUSA-N 1 0 498.623 4.593 50 0 JJAARO COc1cc(C[N@@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1OC ZINC000015000465 555844992 /nfs/dbraw/zinc/84/49/92/555844992.db2.gz HAHFMPVKDDTNAC-FQEVSTJZSA-N 1 0 468.623 4.513 50 0 JJAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(OC)c3ccccc13)CC2 ZINC000011868654 555845681 /nfs/dbraw/zinc/84/56/81/555845681.db2.gz KRLNCWIOGUDSOF-RUZDIDTESA-N 1 0 458.602 4.818 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)[nH]c1=O ZINC000015002601 555847555 /nfs/dbraw/zinc/84/75/55/555847555.db2.gz LLLHGPBQTLHHGV-UHFFFAOYSA-N 1 0 485.481 4.752 50 0 JJAARO C[N@H+](CC[C@@H]1CCCCO1)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000015005046 555849841 /nfs/dbraw/zinc/84/98/41/555849841.db2.gz KDOZSDQEEQHRMA-NDEPHWFRSA-N 1 0 461.650 4.745 50 0 JJAARO C[N@H+](CC[C@H]1CCCCO1)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000015005049 555849901 /nfs/dbraw/zinc/84/99/01/555849901.db2.gz KDOZSDQEEQHRMA-MUUNZHRXSA-N 1 0 461.650 4.745 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000015071495 555870528 /nfs/dbraw/zinc/87/05/28/555870528.db2.gz VDFYEJBBIFVKAE-OAQYLSRUSA-N 1 0 470.642 4.860 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]CC2(c3ccccc3)CCCC2)C1 ZINC000015071493 555870550 /nfs/dbraw/zinc/87/05/50/555870550.db2.gz VDFYEJBBIFVKAE-NRFANRHFSA-N 1 0 470.642 4.860 50 0 JJAARO c1coc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)c1 ZINC000011998741 555881785 /nfs/dbraw/zinc/88/17/85/555881785.db2.gz REHUSFJEHWZTKU-HSZRJFAPSA-N 1 0 452.624 4.765 50 0 JJAARO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c(OC)c1 ZINC000012034359 555887957 /nfs/dbraw/zinc/88/79/57/555887957.db2.gz APTAOSPBOZKDQR-GCJKJVERSA-N 1 0 462.512 4.736 50 0 JJAARO CC(C)NC(=O)c1ccc(-c2csc3ccccc23)nc1N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000012034601 555888260 /nfs/dbraw/zinc/88/82/60/555888260.db2.gz HFMXGNGKSBENAV-FQEVSTJZSA-N 1 0 492.689 4.775 50 0 JJAARO Cc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)o1 ZINC000012038192 555891416 /nfs/dbraw/zinc/89/14/16/555891416.db2.gz CVOQSVXFJJGGRV-HSZRJFAPSA-N 1 0 452.624 4.879 50 0 JJAARO COc1ccc(NC(=O)c2cc3cc(C4(O)CC[NH+](C5CCCC5)CC4)ccc3o2)cc1OC ZINC000012038866 555891558 /nfs/dbraw/zinc/89/15/58/555891558.db2.gz JBGZLHMKPPKMNF-UHFFFAOYSA-N 1 0 464.562 4.928 50 0 JJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000015276449 555891977 /nfs/dbraw/zinc/89/19/77/555891977.db2.gz RMEBLBDZRGUWLZ-PXNSSMCTSA-N 1 0 458.484 4.836 50 0 JJAARO Cc1cc(C)n(CCC[NH2+]Cc2cc3ccc(F)cc3n(Cc3ccccc3Cl)c2=O)n1 ZINC000012099019 555906418 /nfs/dbraw/zinc/90/64/18/555906418.db2.gz WASJZFIAEQCKMW-UHFFFAOYSA-N 1 0 452.961 4.836 50 0 JJAARO C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000015415165 555906968 /nfs/dbraw/zinc/90/69/68/555906968.db2.gz YLEHMJUQHQEBPX-ATGUVVDTSA-N 1 0 486.741 4.694 50 0 biogenic JJAARO CCc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)cc1 ZINC000012126272 555910235 /nfs/dbraw/zinc/91/02/35/555910235.db2.gz SRPRVIQSIWXPKL-UHFFFAOYSA-N 1 0 464.631 4.668 50 0 JJAARO Cn1c(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2cc4ccccc4s2)CC3)nc2ccccc21 ZINC000012151436 555924078 /nfs/dbraw/zinc/92/40/78/555924078.db2.gz DDDXTLLSJZVEMC-NRFANRHFSA-N 1 0 458.631 4.749 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012156548 555928554 /nfs/dbraw/zinc/92/85/54/555928554.db2.gz CXDFLKOKCHCLSX-MRXNPFEDSA-N 1 0 470.875 4.638 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[NH+]2CCCCCC2)CC1 ZINC000015672462 555929249 /nfs/dbraw/zinc/92/92/49/555929249.db2.gz WVZUFCLTLNPAEN-HTLZXYJSSA-N 1 0 484.710 4.878 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672890 555930830 /nfs/dbraw/zinc/93/08/30/555930830.db2.gz KRSJLXJWAMUDLL-SANMLTNESA-N 1 0 472.699 4.878 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3noc4c3CSc3ccccc3-4)C[C@H]2C)c1 ZINC000015674051 555932934 /nfs/dbraw/zinc/93/29/34/555932934.db2.gz BGLZYGCKTBUZDJ-LJQANCHMSA-N 1 0 462.619 4.586 50 0 JJAARO O=C(NCc1cnc2ccccc2c1)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)[nH]c1=O ZINC000012182313 555935392 /nfs/dbraw/zinc/93/53/92/555935392.db2.gz WZPWABAXAULNMF-HSZRJFAPSA-N 1 0 466.585 4.623 50 0 JJAARO O=C(c1cc2cc(C3(O)CC[NH+](Cc4cc5ccccc5s4)CC3)ccc2o1)N1CCOCC1 ZINC000012190636 555937714 /nfs/dbraw/zinc/93/77/14/555937714.db2.gz RLKRLQSPNQGCNQ-UHFFFAOYSA-N 1 0 476.598 4.604 50 0 JJAARO O[C@@H](COc1ccc(Br)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022916684 555970649 /nfs/dbraw/zinc/97/06/49/555970649.db2.gz RYONDBYZEQRKML-XMMPIXPASA-N 1 0 481.434 4.596 50 0 JJAARO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022936077 555988515 /nfs/dbraw/zinc/98/85/15/555988515.db2.gz USZMJNUCTVKNJX-JPNWQNGZSA-N 1 0 460.662 4.712 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770454 555988658 /nfs/dbraw/zinc/98/86/58/555988658.db2.gz QWONGMAVSYKWHE-HXUWFJFHSA-N 1 0 484.069 4.590 50 0 JJAARO Cc1cccc(-c2nc3ccc(C(=O)NCCN4CC[NH+](C)CC4)cc3nc2-c2cccc(C)c2)c1 ZINC000022938952 555992156 /nfs/dbraw/zinc/99/21/56/555992156.db2.gz VQJMKMNSALPUBX-UHFFFAOYSA-N 1 0 479.628 4.558 50 0 JJAARO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)ccc1F ZINC000012521200 555992780 /nfs/dbraw/zinc/99/27/80/555992780.db2.gz XHSRCUTVISFXIV-RUZDIDTESA-N 1 0 481.593 4.502 50 0 JJAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCN(c4ccccc4)CC3)n2)cc1 ZINC000015781616 556000831 /nfs/dbraw/zinc/00/08/31/556000831.db2.gz GSBDQEAGIGARAD-UHFFFAOYSA-N 1 0 453.590 4.930 50 0 JJAARO CCOc1ccccc1N1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012532333 556002288 /nfs/dbraw/zinc/00/22/88/556002288.db2.gz AMYXFAKPDRSJDA-VWLOTQADSA-N 1 0 482.571 4.653 50 0 JJAARO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000023079757 556006378 /nfs/dbraw/zinc/00/63/78/556006378.db2.gz HDYHWIPEANFWNZ-DQEYMECFSA-N 1 0 486.641 4.524 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3ncc(-c4ccccc4)n3C3CC3)cc2)CC1 ZINC000012540715 556014582 /nfs/dbraw/zinc/01/45/82/556014582.db2.gz MQLXBKJVUYNGTJ-UHFFFAOYSA-N 1 0 461.635 4.758 50 0 JJAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000015856038 556023951 /nfs/dbraw/zinc/02/39/51/556023951.db2.gz SIPMSOFOSGROFG-UHFFFAOYSA-N 1 0 454.611 4.753 50 0 JJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1Cc1cccc(Cl)c1 ZINC000023158310 556026176 /nfs/dbraw/zinc/02/61/76/556026176.db2.gz OAFQVZQIXIYHRN-RPBOFIJWSA-N 1 0 498.067 4.540 50 0 JJAARO O=C(c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)N1CCC([NH+]2CCCCC2)CC1 ZINC000015862568 556035509 /nfs/dbraw/zinc/03/55/09/556035509.db2.gz OAIGKFRXXHLCTO-JLPGSUDCSA-N 1 0 465.981 4.803 50 0 JJAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000015865853 556042461 /nfs/dbraw/zinc/04/24/61/556042461.db2.gz SXYBUVZCRPMUAR-UHFFFAOYSA-N 1 0 456.565 4.752 50 0 JJAARO COc1ccc2c(c1)CCc1c-2n[nH]c1-c1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000023336333 556046200 /nfs/dbraw/zinc/04/62/00/556046200.db2.gz ULEPVJFZOWOONJ-LJQANCHMSA-N 1 0 458.606 4.845 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccccc1)CCC2 ZINC000015946671 556083152 /nfs/dbraw/zinc/08/31/52/556083152.db2.gz XNSNGXDYZNDJPP-UHFFFAOYSA-N 1 0 469.994 4.879 50 0 JJAARO CC(C)Sc1nc2ccccc2n1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000023853925 556092706 /nfs/dbraw/zinc/09/27/06/556092706.db2.gz SLGQYAWDRDSDRD-UHFFFAOYSA-N 1 0 452.580 4.574 50 0 JJAARO CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012759057 556108922 /nfs/dbraw/zinc/10/89/22/556108922.db2.gz LXQCXKCJFLMUMN-UHFFFAOYSA-N 1 0 485.053 4.504 50 0 JJAARO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2Br)C(C)C)cc1 ZINC000012928250 556146071 /nfs/dbraw/zinc/14/60/71/556146071.db2.gz XTLFHEACZSNJBW-QFIPXVFZSA-N 1 0 490.442 4.563 50 0 JJAARO Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCN(c5cc[nH+]cc5)CC4)c23)cc1 ZINC000024842517 556160666 /nfs/dbraw/zinc/16/06/66/556160666.db2.gz OZCVBBXVHMECQA-UHFFFAOYSA-N 1 0 461.616 4.503 50 0 JJAARO COc1ccc([C@@H](CNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000024966462 556165274 /nfs/dbraw/zinc/16/52/74/556165274.db2.gz DCPIKZOCFDPYIX-XMMPIXPASA-N 1 0 491.661 4.589 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)COc2ccc(Oc3ccccn3)cc2)c2cccs2)CC1 ZINC000024974383 556166558 /nfs/dbraw/zinc/16/65/58/556166558.db2.gz VADWIQMXVXXVEK-QFIPXVFZSA-N 1 0 451.592 4.904 50 0 JJAARO O=C(COc1ccc(Oc2ccccn2)cc1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000024976968 556167149 /nfs/dbraw/zinc/16/71/49/556167149.db2.gz QXXKLTVJIKLTRY-HSZRJFAPSA-N 1 0 451.954 4.859 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c2cccs2)CC1 ZINC000012997926 556190623 /nfs/dbraw/zinc/19/06/23/556190623.db2.gz ZKHQGCMKKLFRCS-SFHVURJKSA-N 1 0 498.699 4.837 50 0 JJAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184766 556203998 /nfs/dbraw/zinc/20/39/98/556203998.db2.gz GLZLEXLSPBJSHG-IAPPQJPRSA-N 1 0 471.004 4.996 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000025424925 556214961 /nfs/dbraw/zinc/21/49/61/556214961.db2.gz WXSMUTURGSUPMK-IZZNHLLZSA-N 1 0 489.019 4.582 50 0 JJAARO CCc1ccc([C@@H](C)[NH2+]Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)cc1 ZINC000013039869 556241721 /nfs/dbraw/zinc/24/17/21/556241721.db2.gz IGURHQKEQCVQEJ-LJQANCHMSA-N 1 0 454.640 4.644 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)[NH+]2CCCCC2)cc1 ZINC000013057515 556252663 /nfs/dbraw/zinc/25/26/63/556252663.db2.gz KIGXXKKELHFRNY-HSZRJFAPSA-N 1 0 463.603 4.966 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000013100431 556299906 /nfs/dbraw/zinc/29/99/06/556299906.db2.gz CLUMADVEDBOQBM-MHZLTWQESA-N 1 0 482.628 4.598 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)cc2C)CC1 ZINC000013114480 556319491 /nfs/dbraw/zinc/31/94/91/556319491.db2.gz KZBACOTVDVRNEL-HHHXNRCGSA-N 1 0 469.585 4.843 50 0 JJAARO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019363217 556345397 /nfs/dbraw/zinc/34/53/97/556345397.db2.gz UJCCXVCJUHOQMS-JOCHJYFZSA-N 1 0 478.434 4.736 50 0 JJAARO COc1ccc([C@H](CNC(=O)CSc2nnc(C)n2C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000029770410 556357234 /nfs/dbraw/zinc/35/72/34/556357234.db2.gz XTZKJKPAGZCQRT-QHCPKHFHSA-N 1 0 471.671 4.536 50 0 JJAARO Fc1ccc2c(c1)Sc1ccc(Cl)cc1C[C@@H]2N1CC[NH+](CCC2OCCCO2)CC1 ZINC000019801728 556378161 /nfs/dbraw/zinc/37/81/61/556378161.db2.gz JWYXCBVKLJBFFZ-NRFANRHFSA-N 1 0 463.018 4.998 50 0 JJAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1CC(c1ccccc1)c1ccccc1 ZINC000032541341 556444249 /nfs/dbraw/zinc/44/42/49/556444249.db2.gz SGMABZNDKRBTLB-FIBWVYCGSA-N 1 0 463.625 4.950 50 0 JJAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+][C@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000032550971 556444589 /nfs/dbraw/zinc/44/45/89/556444589.db2.gz PEMIFKOZAHRHQS-NDEPHWFRSA-N 1 0 498.671 4.927 50 0 JJAARO O=C(NCc1cccnc1)[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1C/C=C/c1ccccc1 ZINC000032565517 556445218 /nfs/dbraw/zinc/44/52/18/556445218.db2.gz OIPLWPXLYYLDLA-DLUMFLDZSA-N 1 0 476.624 4.797 50 0 JJAARO CC(C)(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1 ZINC000032624593 556454559 /nfs/dbraw/zinc/45/45/59/556454559.db2.gz IZMJRVOUJJZEMC-KRWDZBQOSA-N 1 0 468.648 4.637 50 0 JJAARO CCn1c(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nc2scc(-c3cccs3)c2c1=O ZINC000032707965 556472510 /nfs/dbraw/zinc/47/25/10/556472510.db2.gz DELGQOLBRCQOKV-GOSISDBHSA-N 1 0 498.699 4.718 50 0 JJAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2CSc2nc3ccccc3s2)C1 ZINC000032819186 556503722 /nfs/dbraw/zinc/50/37/22/556503722.db2.gz AVOFDHYLLJMYDZ-IBGZPJMESA-N 1 0 455.649 4.675 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(C)c32)CC1 ZINC000008608455 562947065 /nfs/dbraw/zinc/94/70/65/562947065.db2.gz PNYINDLLLHMNIW-UHFFFAOYSA-N 1 0 479.528 4.683 50 0 JJAARO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000008692009 562954213 /nfs/dbraw/zinc/95/42/13/562954213.db2.gz RFDWBDBJZPGSDV-QHCPKHFHSA-N 1 0 472.416 4.678 50 0 JJAARO COc1ccccc1/C=C/C[NH+]1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2cc(C)nn2C)CC1 ZINC000011967375 562957945 /nfs/dbraw/zinc/95/79/45/562957945.db2.gz HIOZICHQWBIQJD-RQFVKHKJSA-N 1 0 486.660 4.846 50 0 JJAARO CCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057222715 569594704 /nfs/dbraw/zinc/59/47/04/569594704.db2.gz JIEWWQNXKHTOQQ-UHFFFAOYSA-N 1 0 487.600 4.837 50 0 JJAARO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057251253 569594934 /nfs/dbraw/zinc/59/49/34/569594934.db2.gz JSZOQHUTBUFMET-UHFFFAOYSA-N 1 0 474.630 4.534 50 0 JJAARO CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000057251246 569594961 /nfs/dbraw/zinc/59/49/61/569594961.db2.gz IJVJIWVNIPYFEO-UHFFFAOYSA-N 1 0 474.630 4.534 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000057264316 569594996 /nfs/dbraw/zinc/59/49/96/569594996.db2.gz OVILSIIABNUHMV-UHFFFAOYSA-N 1 0 474.008 4.844 50 0 JJAARO Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(F)cc4)CC2)n3C)c1 ZINC000057264456 569595058 /nfs/dbraw/zinc/59/50/58/569595058.db2.gz QFSOABRDWRGYRG-UHFFFAOYSA-N 1 0 471.580 4.638 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000057264337 569595103 /nfs/dbraw/zinc/59/51/03/569595103.db2.gz DENWJCCRESWYHI-UHFFFAOYSA-N 1 0 454.578 4.582 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000057264469 569595111 /nfs/dbraw/zinc/59/51/11/569595111.db2.gz OTMJNQDYMWRUSZ-UHFFFAOYSA-N 1 0 463.601 4.596 50 0 JJAARO O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057311683 569596280 /nfs/dbraw/zinc/59/62/80/569596280.db2.gz CXFGGEXXEWUEBQ-UHFFFAOYSA-N 1 0 495.048 4.554 50 0 JJAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cc2ccccc2o1 ZINC000057314339 569596957 /nfs/dbraw/zinc/59/69/57/569596957.db2.gz ACSUBTASOKOYCN-UHFFFAOYSA-N 1 0 470.598 4.882 50 0 JJAARO Cc1sc2ncnc(N[C@@H](C)C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2c1C ZINC000008735598 569602060 /nfs/dbraw/zinc/60/20/60/569602060.db2.gz HOOOWAQXSVEVQV-HNNXBMFYSA-N 1 0 458.031 4.543 50 0 JJAARO O=C(CSc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000032972161 569604116 /nfs/dbraw/zinc/60/41/16/569604116.db2.gz RIURQQYPYUAIDK-OAQYLSRUSA-N 1 0 467.566 4.716 50 0 JJAARO O=C(CSc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000032972164 569604160 /nfs/dbraw/zinc/60/41/60/569604160.db2.gz RIURQQYPYUAIDK-NRFANRHFSA-N 1 0 467.566 4.716 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983602 569606901 /nfs/dbraw/zinc/60/69/01/569606901.db2.gz OISIUNVPFTYNAT-XQNSMLJCSA-N 1 0 453.970 4.708 50 0 JJAARO CC(C)(C)n1ncc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1=O ZINC000060244200 569608495 /nfs/dbraw/zinc/60/84/95/569608495.db2.gz FBGYVGXKVPCXSZ-UHFFFAOYSA-N 1 0 466.029 4.586 50 0 JJAARO O=C(c1ccccc1Oc1ccccc1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000060274555 569608606 /nfs/dbraw/zinc/60/86/06/569608606.db2.gz MERMYXTWYWXXFK-HSZRJFAPSA-N 1 0 456.590 4.548 50 0 JJAARO Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000062562124 569611079 /nfs/dbraw/zinc/61/10/79/569611079.db2.gz YAWAABIQCVIGDV-UHFFFAOYSA-N 1 0 496.655 4.808 50 0 JJAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)c1 ZINC000062563965 569611084 /nfs/dbraw/zinc/61/10/84/569611084.db2.gz TWDNHFPNBSOUMK-UHFFFAOYSA-N 1 0 495.627 4.607 50 0 JJAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)c(C)c1C ZINC000033024426 569619887 /nfs/dbraw/zinc/61/98/87/569619887.db2.gz QCVHXKOBBLGOQL-UHFFFAOYSA-N 1 0 492.708 4.643 50 0 JJAARO O=C(C1CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000033299532 569622624 /nfs/dbraw/zinc/62/26/24/569622624.db2.gz VSXLWBDFHWKUIV-UHFFFAOYSA-N 1 0 497.618 4.789 50 0 JJAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(O)cc4)c3NC3CCCCCC3)s2)CC1 ZINC000064746083 569625162 /nfs/dbraw/zinc/62/51/62/569625162.db2.gz YUDNEVNILGYBNX-UHFFFAOYSA-N 1 0 454.644 4.830 50 0 JJAARO Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)cc1 ZINC000034667846 569640548 /nfs/dbraw/zinc/64/05/48/569640548.db2.gz VNXKNGGAHBQFGG-UHFFFAOYSA-N 1 0 454.496 4.983 50 0 JJAARO Cc1cccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)CC2)c1 ZINC000034667853 569640588 /nfs/dbraw/zinc/64/05/88/569640588.db2.gz JOIGOQURDGZFRU-UHFFFAOYSA-N 1 0 454.496 4.983 50 0 JJAARO Cc1ccccc1CN(C(=O)C1CCCC1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034679748 569642774 /nfs/dbraw/zinc/64/27/74/569642774.db2.gz MTZRTSDMOGYFDI-UHFFFAOYSA-N 1 0 461.650 4.863 50 0 JJAARO Cc1ccc(C(=O)N(Cc2cccc(F)c2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000034679964 569642910 /nfs/dbraw/zinc/64/29/10/569642910.db2.gz JOZKMJUERLPVEH-UHFFFAOYSA-N 1 0 473.592 4.736 50 0 JJAARO Cc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000034680095 569642983 /nfs/dbraw/zinc/64/29/83/569642983.db2.gz GFKJRLJRPDWZTA-UHFFFAOYSA-N 1 0 469.629 4.905 50 0 JJAARO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034683168 569644365 /nfs/dbraw/zinc/64/43/65/569644365.db2.gz SOXNCJMFOPMWEE-UHFFFAOYSA-N 1 0 488.584 4.786 50 0 JJAARO Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000034697669 569647512 /nfs/dbraw/zinc/64/75/12/569647512.db2.gz BIBQDEBNNDMLLW-NAKRPHOHSA-N 1 0 457.593 4.812 50 0 JJAARO O=C(c1cccc(F)c1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698334 569647657 /nfs/dbraw/zinc/64/76/57/569647657.db2.gz JYKCHTNRKOSKJQ-WXVAWEFUSA-N 1 0 479.546 4.782 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccc(C)cc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698439 569647778 /nfs/dbraw/zinc/64/77/78/569647778.db2.gz AFEZCAAHRZMFLY-ABYGYWHVSA-N 1 0 487.619 4.821 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccc(C)cc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698438 569647799 /nfs/dbraw/zinc/64/77/99/569647799.db2.gz AFEZCAAHRZMFLY-IRPSRAIASA-N 1 0 487.619 4.821 50 0 JJAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)CC1 ZINC000065054982 569653843 /nfs/dbraw/zinc/65/38/43/569653843.db2.gz WQVLMDJWWUJFBA-UHFFFAOYSA-N 1 0 493.627 4.822 50 0 JJAARO CC[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4cccc(OC)c4)cc32)CC1 ZINC000034791018 569660261 /nfs/dbraw/zinc/66/02/61/569660261.db2.gz LWLHZAXHUSYVBX-UHFFFAOYSA-N 1 0 456.546 4.769 50 0 JJAARO C[N@H+](CCCNC(=O)C1CCN(c2nccnc2Sc2ccccc2)CC1)C1CCCCC1 ZINC000065102680 569664404 /nfs/dbraw/zinc/66/44/04/569664404.db2.gz VSWPDLOSQYPTRK-UHFFFAOYSA-N 1 0 467.683 4.615 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)C3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034832130 569664413 /nfs/dbraw/zinc/66/44/13/569664413.db2.gz IHFCAPROKCPXEJ-UHFFFAOYSA-N 1 0 465.686 4.888 50 0 JJAARO CCCC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1 ZINC000034835375 569665006 /nfs/dbraw/zinc/66/50/06/569665006.db2.gz UIHWRNNERYLCIY-UHFFFAOYSA-N 1 0 457.638 4.643 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)CCC3CCCC3)c(C)nn2-c2ccccc2)CC1 ZINC000034835144 569665002 /nfs/dbraw/zinc/66/50/02/569665002.db2.gz FFJPKBHQTMEXBO-UHFFFAOYSA-N 1 0 495.712 4.658 50 0 JJAARO CCCCNC(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1 ZINC000034835773 569665109 /nfs/dbraw/zinc/66/51/09/569665109.db2.gz MVPINKZIIDBYDV-UHFFFAOYSA-N 1 0 486.680 4.826 50 0 JJAARO O=C(Nc1ccc(F)cc1)C1CC[NH+](C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000034912082 569671593 /nfs/dbraw/zinc/67/15/93/569671593.db2.gz HEXUBQCFFUXNGM-UHFFFAOYSA-N 1 0 459.565 4.934 50 0 JJAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000065314982 569672708 /nfs/dbraw/zinc/67/27/08/569672708.db2.gz BJSVXUCZIJHHDX-XMMPIXPASA-N 1 0 466.025 4.850 50 0 JJAARO CN1C[C@]2(CC[C@@H]3[C@@H]4CC=C5CC6(CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO6)OC12CC[NH+](C)CC2 ZINC000035361526 569682148 /nfs/dbraw/zinc/68/21/48/569682148.db2.gz YMCDKPBEFRXSQH-ZPJGBUAPSA-N 1 0 470.698 4.815 50 0 biogenic JJAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Cl)cc2)c1C ZINC000035372564 569683120 /nfs/dbraw/zinc/68/31/20/569683120.db2.gz IKJBYOBUAAAZAP-UHFFFAOYSA-N 1 0 455.027 4.952 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1)Cc1ccccc1 ZINC000035398156 569688889 /nfs/dbraw/zinc/68/88/89/569688889.db2.gz MZOTZJVQUDQVLC-AREMUKBSSA-N 1 0 471.649 4.697 50 0 JJAARO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)CC2)cc1 ZINC000071793461 569698439 /nfs/dbraw/zinc/69/84/39/569698439.db2.gz QNPWPIURSIXVIU-ZEQRLZLVSA-N 1 0 477.649 4.511 50 0 JJAARO CCOC(=O)c1ccc2nc(C(=O)NC[C@@H](C)[NH+](C)C)n(Cc3ccc(-c4ccccc4)cc3)c2c1 ZINC000071907964 569699108 /nfs/dbraw/zinc/69/91/08/569699108.db2.gz AZTFUKWJXSYKJS-HXUWFJFHSA-N 1 0 484.600 4.608 50 0 JJAARO COc1ccc(Nc2nc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc3occc32)cc1 ZINC000035559822 569704001 /nfs/dbraw/zinc/70/40/01/569704001.db2.gz JVASDSAFUACWPL-UHFFFAOYSA-N 1 0 456.546 4.758 50 0 JJAARO CCCCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1OC ZINC000078698657 569706425 /nfs/dbraw/zinc/70/64/25/569706425.db2.gz LRZLSFWHJKQEDH-UHFFFAOYSA-N 1 0 474.605 4.844 50 0 JJAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccc(Br)cc1 ZINC000035843551 569714283 /nfs/dbraw/zinc/71/42/83/569714283.db2.gz VNFQDQOBRVDLLC-HSZRJFAPSA-N 1 0 493.467 4.570 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCC2 ZINC000085875716 569715903 /nfs/dbraw/zinc/71/59/03/569715903.db2.gz RKHXIEMOEUVJMB-GPUOULLFSA-N 1 0 451.655 4.576 50 0 biogenic JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000035872067 569719099 /nfs/dbraw/zinc/71/90/99/569719099.db2.gz QJGVQPAASSNLOY-SHQCIBLASA-N 1 0 494.010 4.667 50 0 JJAARO Cc1cc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1 ZINC000095511654 569725311 /nfs/dbraw/zinc/72/53/11/569725311.db2.gz KVCZRMQMSZEQBG-UHFFFAOYSA-N 1 0 450.586 4.889 50 0 JJAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccc(OC)cc2)c1C[NH+](C)C ZINC000096593998 569742282 /nfs/dbraw/zinc/74/22/82/569742282.db2.gz FZNJMOXRSZCKTA-UHFFFAOYSA-N 1 0 489.366 4.565 50 0 JJAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccccc1F ZINC000036312669 569760262 /nfs/dbraw/zinc/76/02/62/569760262.db2.gz AFNACLWCTXKKKF-UHFFFAOYSA-N 1 0 450.558 4.675 50 0 JJAARO COc1ccccc1C(=O)N(CC[NH+](C)C)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312681 569760318 /nfs/dbraw/zinc/76/03/18/569760318.db2.gz ISYMUUHYKYVSFZ-UHFFFAOYSA-N 1 0 462.594 4.545 50 0 JJAARO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313945 569761663 /nfs/dbraw/zinc/76/16/63/569761663.db2.gz HWUHCAXEOGXAOP-HSZRJFAPSA-N 1 0 497.636 4.514 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC ZINC000036316518 569763299 /nfs/dbraw/zinc/76/32/99/569763299.db2.gz GBDVKPKFFPLJHD-QFIPXVFZSA-N 1 0 455.574 4.976 50 0 JJAARO CC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(Cl)c2)CC1 ZINC000036340110 569763614 /nfs/dbraw/zinc/76/36/14/569763614.db2.gz UJEXLVWCVCCCSD-QHCPKHFHSA-N 1 0 451.014 4.589 50 0 JJAARO Cc1cccc(-n2nc3nc(N4CC[NH+](C(C)C)CC4)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037358998 569783789 /nfs/dbraw/zinc/78/37/89/569783789.db2.gz NACGZZQPCSWREP-UHFFFAOYSA-N 1 0 462.001 4.557 50 0 JJAARO COc1ccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4ccc(F)c(Cl)c4)c3c2N)cc1 ZINC000037376728 569784361 /nfs/dbraw/zinc/78/43/61/569784361.db2.gz MTDBPZQPZKIXQO-UHFFFAOYSA-N 1 0 495.990 4.764 50 0 JJAARO CCc1cc([C@@H](c2cccc(OC)c2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546557 569803226 /nfs/dbraw/zinc/80/32/26/569803226.db2.gz CRHCNFNKTPAOBY-HSZRJFAPSA-N 1 0 483.634 4.900 50 0 JJAARO COc1ccc2c(c1)O[C@@H](C)C[N@@H+](CCC(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000039442544 569809910 /nfs/dbraw/zinc/80/99/10/569809910.db2.gz VBPXCVHWHAIKRX-CYFREDJKSA-N 1 0 466.553 4.739 50 0 JJAARO CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000039563892 569810779 /nfs/dbraw/zinc/81/07/79/569810779.db2.gz GFIVLKMJOXXENU-UHFFFAOYSA-N 1 0 491.636 4.643 50 0 JJAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000039564051 569810837 /nfs/dbraw/zinc/81/08/37/569810837.db2.gz VTKYCOCTEAHCMF-UHFFFAOYSA-N 1 0 460.622 4.799 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995540 569813383 /nfs/dbraw/zinc/81/33/83/569813383.db2.gz JNMMCKMRMILIFO-RBBKRZOGSA-N 1 0 454.640 4.581 50 0 JJAARO CN1CCN(CC(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)CC1 ZINC000102697464 569816056 /nfs/dbraw/zinc/81/60/56/569816056.db2.gz AXNFEMWTHXCMJJ-VWLOTQADSA-N 1 0 464.635 4.788 50 0 JJAARO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(Cl)cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000040152441 569820196 /nfs/dbraw/zinc/82/01/96/569820196.db2.gz HFNQWMMBPCVIFE-UHFFFAOYSA-N 1 0 480.996 4.651 50 0 JJAARO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000040157901 569821798 /nfs/dbraw/zinc/82/17/98/569821798.db2.gz VMRBFEVPGQPSCR-QFBILLFUSA-N 1 0 461.400 4.764 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355781 569824019 /nfs/dbraw/zinc/82/40/19/569824019.db2.gz GTLIGFISDVTFMA-ZDUSSCGKSA-N 1 0 455.411 4.697 50 0 JJAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1 ZINC000040407274 569827771 /nfs/dbraw/zinc/82/77/71/569827771.db2.gz UEEZJRVKYCYDQD-UHFFFAOYSA-N 1 0 456.537 4.670 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)C[C@H]2C)c1 ZINC000103779599 569838107 /nfs/dbraw/zinc/83/81/07/569838107.db2.gz HCGHITBZEOLBQC-HSZRJFAPSA-N 1 0 489.664 4.688 50 0 JJAARO CC[C@@H](C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(OC)cc1OC ZINC000104968066 569847847 /nfs/dbraw/zinc/84/78/47/569847847.db2.gz PIORXNSJZCCPTD-RTBURBONSA-N 1 0 451.567 4.984 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982824 569847980 /nfs/dbraw/zinc/84/79/80/569847980.db2.gz XPYLENWWPXBGDT-IZZNHLLZSA-N 1 0 464.993 4.913 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982826 569848085 /nfs/dbraw/zinc/84/80/85/569848085.db2.gz XPYLENWWPXBGDT-CLJLJLNGSA-N 1 0 464.993 4.913 50 0 JJAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983719 569848208 /nfs/dbraw/zinc/84/82/08/569848208.db2.gz UPZRZSCKZXRLSC-DHIUTWEWSA-N 1 0 482.518 4.873 50 0 JJAARO O=S(=O)(c1ccccc1)N1C[C@H](C[NH+]2CCCCC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105042406 569851825 /nfs/dbraw/zinc/85/18/25/569851825.db2.gz GUBZITOIJVFHPC-SIKLNZKXSA-N 1 0 452.542 4.596 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000105061353 569852678 /nfs/dbraw/zinc/85/26/78/569852678.db2.gz IACWTMTVMHYQCM-RLWLMLJZSA-N 1 0 481.706 4.890 50 0 JJAARO C[N@H+](CCCN1C(=O)[C@H](Oc2ccc(F)cc2Cl)[C@@H]1c1cscn1)Cc1ccccc1 ZINC000105779982 569853369 /nfs/dbraw/zinc/85/33/69/569853369.db2.gz GDVNHVCDJAZRPM-FCHUYYIVSA-N 1 0 459.974 4.789 50 0 JJAARO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868459 569853530 /nfs/dbraw/zinc/85/35/30/569853530.db2.gz KIXILYUQJBABJZ-RBUKOAKNSA-N 1 0 473.061 4.548 50 0 JJAARO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677757 569868932 /nfs/dbraw/zinc/86/89/32/569868932.db2.gz FGZPFPWWKCLIKZ-URXFXBBRSA-N 1 0 475.530 4.766 50 0 JJAARO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677741 569868942 /nfs/dbraw/zinc/86/89/42/569868942.db2.gz KXICAUUNWVOIRH-ZCYQVOJMSA-N 1 0 471.567 4.670 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000169679401 569869743 /nfs/dbraw/zinc/86/97/43/569869743.db2.gz ZEFCGJSJTKYJJU-AHKZPQOWSA-N 1 0 476.020 4.528 50 0 JJAARO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679604 569869886 /nfs/dbraw/zinc/86/98/86/569869886.db2.gz OLEFIVVIZBOOFM-VWNXMTODSA-N 1 0 487.497 4.617 50 0 JJAARO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000169679916 569870085 /nfs/dbraw/zinc/87/00/85/569870085.db2.gz DGCCVKRRKORTGX-RCZVLFRGSA-N 1 0 484.980 4.515 50 0 JJAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000169681901 569870882 /nfs/dbraw/zinc/87/08/82/569870882.db2.gz HZFRMNIPCQEKSQ-LAUBAEHRSA-N 1 0 459.537 4.859 50 0 JJAARO COc1ccc(C[NH+]2CCC(NC(=O)COc3ccc(Oc4ccccc4)cc3)CC2)cc1F ZINC000170648631 569873455 /nfs/dbraw/zinc/87/34/55/569873455.db2.gz BQYAUAJPZBITMH-UHFFFAOYSA-N 1 0 464.537 4.786 50 0 JJAARO C[C@@H]1C[N@@H+](C[C@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@H](C)O1 ZINC000195529815 569873591 /nfs/dbraw/zinc/87/35/91/569873591.db2.gz USRYDXBWELCXLL-JXALWOEJSA-N 1 0 481.641 4.740 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077176 570044534 /nfs/dbraw/zinc/04/45/34/570044534.db2.gz LBPCMQHXRCHVBN-YGOYIFOWSA-N 1 0 451.636 4.572 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCCc1ccccc1)C2 ZINC000230128888 570045287 /nfs/dbraw/zinc/04/52/87/570045287.db2.gz IBVKZEOQOOGUOU-XCZPVHLTSA-N 1 0 490.047 4.571 50 0 JJAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281486 570062298 /nfs/dbraw/zinc/06/22/98/570062298.db2.gz ZVMZHNFDDRTYME-AOYPEHQESA-N 1 0 493.648 4.894 50 0 JJAARO CC[C@@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327405 570065141 /nfs/dbraw/zinc/06/51/41/570065141.db2.gz IYPMEVAZYMZVCI-NFBKMPQASA-N 1 0 462.631 4.511 50 0 JJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000245330001 570066539 /nfs/dbraw/zinc/06/65/39/570066539.db2.gz WLYHIYICMQQRGF-ZEQKJWHPSA-N 1 0 496.648 4.706 50 0 JJAARO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000245329990 570066602 /nfs/dbraw/zinc/06/66/02/570066602.db2.gz WHYOHHLVFVDNSK-RXFWQSSRSA-N 1 0 485.669 4.722 50 0 JJAARO CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2cccc(Cl)c2)CC1 ZINC000247858706 570070229 /nfs/dbraw/zinc/07/02/29/570070229.db2.gz YVCZKNXALSLEIQ-HUVFLSCGSA-N 1 0 460.062 4.742 50 0 JJAARO CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978903 570072100 /nfs/dbraw/zinc/07/21/00/570072100.db2.gz JBZWIMRGYDJDFY-GOSISDBHSA-N 1 0 469.427 4.868 50 0 JJAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248003480 570072439 /nfs/dbraw/zinc/07/24/39/570072439.db2.gz GLZLEXLSPBJSHG-XTEPFMGCSA-N 1 0 471.004 4.996 50 0 JJAARO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248017462 570072909 /nfs/dbraw/zinc/07/29/09/570072909.db2.gz TTXJJCYTYZOULJ-DEOSSOPVSA-N 1 0 473.665 4.795 50 0 JJAARO CCCCCC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248084130 570073719 /nfs/dbraw/zinc/07/37/19/570073719.db2.gz KHSPAIOCCREAAE-QFQXNSOFSA-N 1 0 467.679 4.644 50 0 JJAARO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248150667 570075432 /nfs/dbraw/zinc/07/54/32/570075432.db2.gz GZWBTDJMYVWTMZ-DEOSSOPVSA-N 1 0 473.665 4.740 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+]2CCCC[C@H]2C)[C@@H]1c1cccs1 ZINC000248225019 570076199 /nfs/dbraw/zinc/07/61/99/570076199.db2.gz IXLVEQSAEAXYGF-YGOYIFOWSA-N 1 0 453.652 4.675 50 0 JJAARO 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 570076836 /nfs/dbraw/zinc/07/68/36/570076836.db2.gz KXPQUHHNPNEABT-NGSHPTGOSA-N 1 0 450.538 4.970 50 0 JJAARO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249681575 570078533 /nfs/dbraw/zinc/07/85/33/570078533.db2.gz BQMINEWIOKGJPM-XMMPIXPASA-N 1 0 473.665 4.570 50 0 JJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000253388953 570095631 /nfs/dbraw/zinc/09/56/31/570095631.db2.gz DKEHJRCHZHMYBD-AFMDSPMNSA-N 1 0 485.669 4.720 50 0 JJAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000253615110 570104999 /nfs/dbraw/zinc/10/49/99/570104999.db2.gz OJEBITVFAJTKMK-UHFFFAOYSA-N 1 0 488.440 4.976 50 0 JJAARO Cc1ccc(Cn2cc(C[NH2+]CCSc3nnnn3-c3ccccc3)c3ccccc32)cc1 ZINC000261492016 570169978 /nfs/dbraw/zinc/16/99/78/570169978.db2.gz PIIWDWHZOITUNI-UHFFFAOYSA-N 1 0 454.603 4.856 50 0 JJAARO C[N@H+](Cc1[nH]nc2c1CCCC2)C1CCN(c2ccc(C(=O)N3CCc4ccccc4C3)cc2)CC1 ZINC000299769663 570175642 /nfs/dbraw/zinc/17/56/42/570175642.db2.gz OWKZJDZZSBWTAA-UHFFFAOYSA-N 1 0 483.660 4.588 50 0 JJAARO COc1ccc(C[NH2+]C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c(OC)c1 ZINC000299770868 570175751 /nfs/dbraw/zinc/17/57/51/570175751.db2.gz RRPBYTIXPVKYOB-OAQYLSRUSA-N 1 0 473.617 4.953 50 0 JJAARO c1sc2nc(-c3ccccn3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000024153762 721918197 /nfs/dbraw/zinc/91/81/97/721918197.db2.gz XKQKYUNZSKVFRB-FQEVSTJZSA-N 1 0 457.603 4.721 50 0 JJAARO COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCCC2)cc1 ZINC000001242883 194078851 /nfs/dbraw/zinc/07/88/51/194078851.db2.gz VGCRRIBTJRGXCU-QFIPXVFZSA-N 1 0 456.384 4.621 50 0 JJAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@H]2c2cccnc2)cc1 ZINC000001432111 194120088 /nfs/dbraw/zinc/12/00/88/194120088.db2.gz UZYFIOITHWOHCI-RUZDIDTESA-N 1 0 458.949 4.568 50 0 JJAARO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@@H](c2cccnc2)N1c1ccc(Br)cc1 ZINC000001404899 194115504 /nfs/dbraw/zinc/11/55/04/194115504.db2.gz VMGFHLULMVHHSZ-HSZRJFAPSA-N 1 0 493.792 4.932 50 0 JJAARO COc1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000002960414 194181379 /nfs/dbraw/zinc/18/13/79/194181379.db2.gz WNCALWIAHXATTF-UHFFFAOYSA-N 1 0 455.562 4.522 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000002946900 194176367 /nfs/dbraw/zinc/17/63/67/194176367.db2.gz ZVVARXDCHRKJJZ-DLBZAZTESA-N 1 0 471.955 4.967 50 0 JJAARO CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC000002971887 194189114 /nfs/dbraw/zinc/18/91/14/194189114.db2.gz QOZGQYGMUOJTHD-UHFFFAOYSA-N 1 0 478.662 4.812 50 0 JJAARO COc1ccc([N+]2=C3CCc4ccccc4N3C[C@@]2(O)c2ccc(Br)cc2)cc1 ZINC000003187799 194236512 /nfs/dbraw/zinc/23/65/12/194236512.db2.gz ZLXUSVORWHUUHH-XMMPIXPASA-N 1 0 450.356 4.812 50 0 JJAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003357764 194298667 /nfs/dbraw/zinc/29/86/67/194298667.db2.gz ZTOSOPGLCYNLEQ-UHFFFAOYSA-N 1 0 451.574 4.852 50 0 JJAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1OC ZINC000004035736 194371639 /nfs/dbraw/zinc/37/16/39/194371639.db2.gz GUOVZEWXAAHXMN-UHFFFAOYSA-N 1 0 498.023 4.892 50 0 JJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757252 194394766 /nfs/dbraw/zinc/39/47/66/194394766.db2.gz NYXUZXLYMOPKAI-XNMGPUDCSA-N 1 0 481.612 4.557 50 0 JJAARO Cc1cccc(N2CCN(C(=S)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)C[C@@H]2C)c1 ZINC000004791538 194399793 /nfs/dbraw/zinc/39/97/93/194399793.db2.gz LMOVQMOCYLFXKH-QFIPXVFZSA-N 1 0 488.705 4.511 50 0 JJAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000009065400 194519723 /nfs/dbraw/zinc/51/97/23/194519723.db2.gz HECHHTRJLGCOQB-DEOSSOPVSA-N 1 0 483.568 4.960 50 0 JJAARO O=C(Cc1cccs1)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265045 194647270 /nfs/dbraw/zinc/64/72/70/194647270.db2.gz AFNFQPJVUKYDTE-UHFFFAOYSA-N 1 0 451.592 4.766 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(Cc2ccc(F)cc2Cl)o1 ZINC000009605066 194807750 /nfs/dbraw/zinc/80/77/50/194807750.db2.gz PRAFDTANBGECBY-UHFFFAOYSA-N 1 0 470.976 4.528 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674015 194880201 /nfs/dbraw/zinc/88/02/01/194880201.db2.gz JDOPEHPYFZIOCK-WOJBJXKFSA-N 1 0 462.638 4.706 50 0 JJAARO CCCCc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+](CC)CC)c3c2CCC3)cc1 ZINC000009746304 194939813 /nfs/dbraw/zinc/93/98/13/194939813.db2.gz BJZQBMXGTNQLCB-UHFFFAOYSA-N 1 0 470.683 4.537 50 0 JJAARO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000009792358 194966974 /nfs/dbraw/zinc/96/69/74/194966974.db2.gz HOQSJHZDGROJQP-XMMPIXPASA-N 1 0 486.572 4.716 50 0 JJAARO COc1ccc(CC[NH2+]C[C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1OC ZINC000009835503 194986676 /nfs/dbraw/zinc/98/66/76/194986676.db2.gz KGBAGMMEYDMGKD-OZXSUGGESA-N 1 0 480.992 4.661 50 0 JJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000009908015 195019076 /nfs/dbraw/zinc/01/90/76/195019076.db2.gz NVOFVZDABYFDSR-UHFFFAOYSA-N 1 0 467.953 4.781 50 0 JJAARO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009914423 195022839 /nfs/dbraw/zinc/02/28/39/195022839.db2.gz CDDPBQSOJDVLFA-UHFFFAOYSA-N 1 0 499.061 4.621 50 0 JJAARO COc1cccc([C@H](C[NH2+][C@H](C)C(=O)N2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000009951201 195033757 /nfs/dbraw/zinc/03/37/57/195033757.db2.gz QYTIKQHKVYCSDU-DVECYGJZSA-N 1 0 469.585 4.884 50 0 JJAARO CC(C)[NH+](CCn1c(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)nc2ccccc2c1=O)C(C)C ZINC000012608781 195052925 /nfs/dbraw/zinc/05/29/25/195052925.db2.gz CVLRFYQDIRPMBE-FQEVSTJZSA-N 1 0 495.693 4.701 50 0 JJAARO CC[NH+](CC)CCCNc1nc(Cc2ccc(OC)c(OC)c2)nc2sc3c(c21)CCC3 ZINC000012635103 195066677 /nfs/dbraw/zinc/06/66/77/195066677.db2.gz PTIFFMCNAGDWKU-UHFFFAOYSA-N 1 0 454.640 4.932 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)[NH+]2CCCC2)cc1 ZINC000012693222 195089121 /nfs/dbraw/zinc/08/91/21/195089121.db2.gz HUZHGTPPMAIBLS-QHCPKHFHSA-N 1 0 467.013 4.777 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1)[NH+]1CCCC1 ZINC000012755833 195108498 /nfs/dbraw/zinc/10/84/98/195108498.db2.gz PHURCQBUONDQAU-DEOSSOPVSA-N 1 0 460.574 4.850 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000012803211 195140539 /nfs/dbraw/zinc/14/05/39/195140539.db2.gz HPSOPBQTTCSVLO-HHHXNRCGSA-N 1 0 484.600 4.648 50 0 JJAARO COc1cccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)[NH+]2CCCC2)c1 ZINC000012807338 195142193 /nfs/dbraw/zinc/14/21/93/195142193.db2.gz BYIGIVOUTMVPLL-GOTSBHOMSA-N 1 0 492.447 4.710 50 0 JJAARO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC23CCCCC3)cc1 ZINC000020687992 195205547 /nfs/dbraw/zinc/20/55/47/195205547.db2.gz HTTKUAUQGQVBGE-JBRSBNLGSA-N 1 0 484.754 4.631 50 0 JJAARO CCCC[N@H+](C)CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21 ZINC000020727067 195208302 /nfs/dbraw/zinc/20/83/02/195208302.db2.gz VUOFIKPRWPXIFV-JWGURIENSA-N 1 0 458.027 4.668 50 0 JJAARO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020806317 195228679 /nfs/dbraw/zinc/22/86/79/195228679.db2.gz MYVTZKUEJQZPIL-ATVSQVCMSA-N 1 0 464.625 4.855 50 0 JJAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CO4)cc1OC ZINC000020761644 195217820 /nfs/dbraw/zinc/21/78/20/195217820.db2.gz XXGIITQBNOMKHF-XUZZJYLKSA-N 1 0 490.600 4.894 50 0 biogenic JJAARO COc1ccccc1-c1coc2c(ccc3c2CN(C[C@@H]2CCC[N@@H+]4CCCC[C@H]24)CO3)c1=O ZINC000020763017 195218839 /nfs/dbraw/zinc/21/88/39/195218839.db2.gz BDSJHIMDFHDIKI-YADARESESA-N 1 0 460.574 4.885 50 0 biogenic JJAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@H]([NH2+]Cc1cccc(F)c1F)CC3 ZINC000020777157 195224252 /nfs/dbraw/zinc/22/42/52/195224252.db2.gz QXCQQSAGWIIUNZ-GOSISDBHSA-N 1 0 463.553 4.723 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020904460 195244857 /nfs/dbraw/zinc/24/48/57/195244857.db2.gz XPBMPFYSONURIG-DNQXCXABSA-N 1 0 451.636 4.574 50 0 JJAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)C2)cc1 ZINC000021103411 195276824 /nfs/dbraw/zinc/27/68/24/195276824.db2.gz RHKKGSDONBQDAG-NRFANRHFSA-N 1 0 494.039 4.553 50 0 JJAARO O=C(CSc1ncnc2c1sc1cccc(F)c12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021153380 195284001 /nfs/dbraw/zinc/28/40/01/195284001.db2.gz NCTKSERBMDWYQT-UHFFFAOYSA-N 1 0 466.607 4.857 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000021526686 195305215 /nfs/dbraw/zinc/30/52/15/195305215.db2.gz JWWMIOCGWURKOQ-LJAQVGFWSA-N 1 0 490.648 4.810 50 0 JJAARO CCC[NH+](CCC)CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526696 195305271 /nfs/dbraw/zinc/30/52/71/195305271.db2.gz CUUHTHGXDBPGKF-MHZLTWQESA-N 1 0 470.658 4.800 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915246 195332006 /nfs/dbraw/zinc/33/20/06/195332006.db2.gz MVUZPMAOITVRRH-UHFFFAOYSA-N 1 0 482.628 4.918 50 0 JJAARO O=C(c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)N1CC[NH+](C2CCCCC2)CC1 ZINC000021915230 195332109 /nfs/dbraw/zinc/33/21/09/195332109.db2.gz CJDQSESYEIODHZ-UHFFFAOYSA-N 1 0 460.622 4.614 50 0 JJAARO Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000021934808 195335895 /nfs/dbraw/zinc/33/58/95/195335895.db2.gz MLVPZSGZRQSLQB-UHFFFAOYSA-N 1 0 479.628 4.543 50 0 JJAARO CC(=O)Nc1ccc2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000057438520 195342102 /nfs/dbraw/zinc/34/21/02/195342102.db2.gz WWFSUIZXVYXBLB-UHFFFAOYSA-N 1 0 467.569 4.659 50 0 JJAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 ZINC000058152053 195367146 /nfs/dbraw/zinc/36/71/46/195367146.db2.gz VHFFGIFVQLVZDW-GOSISDBHSA-N 1 0 480.584 4.642 50 0 JJAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000058157691 195367713 /nfs/dbraw/zinc/36/77/13/195367713.db2.gz ATLFTJAXKUHMBH-AREMUKBSSA-N 1 0 473.642 4.524 50 0 JJAARO C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1=O ZINC000058160769 195368921 /nfs/dbraw/zinc/36/89/21/195368921.db2.gz JTIOCRCOJCVATL-ZEQKJWHPSA-N 1 0 482.628 4.557 50 0 JJAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000058161780 195369154 /nfs/dbraw/zinc/36/91/54/195369154.db2.gz AMFXMZVAHRFMKS-NDEPHWFRSA-N 1 0 471.601 4.819 50 0 JJAARO COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)cc1Cl ZINC000058165237 195369645 /nfs/dbraw/zinc/36/96/45/195369645.db2.gz BGVIDGXDHXZUCJ-DEOSSOPVSA-N 1 0 451.954 4.556 50 0 JJAARO CC[NH+]1CCC(N(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)c2ccccc2)CC1 ZINC000058202630 195373423 /nfs/dbraw/zinc/37/34/23/195373423.db2.gz UKIDARSTQRQMBH-IBGZPJMESA-N 1 0 460.544 4.834 50 0 JJAARO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058248663 195375271 /nfs/dbraw/zinc/37/52/71/195375271.db2.gz JGZJPFRDENZGEL-SXOMAYOGSA-N 1 0 455.602 4.615 50 0 JJAARO COc1ccc(CCC(=O)N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1F ZINC000058312539 195376884 /nfs/dbraw/zinc/37/68/84/195376884.db2.gz MDPHUJNNEMRJFY-UHFFFAOYSA-N 1 0 452.492 4.909 50 0 JJAARO CC(=O)N1CCN(c2nc3cc(Cl)ccc3cc2C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012279363 519595247 /nfs/dbraw/zinc/59/52/47/519595247.db2.gz ODUVLLGEZFQLBN-UHFFFAOYSA-N 1 0 476.930 4.865 50 0 JJAARO CC(=O)Nc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1 ZINC000012458669 519716037 /nfs/dbraw/zinc/71/60/37/519716037.db2.gz KKLUKVOLHGSPTR-UHFFFAOYSA-N 1 0 451.958 4.584 50 0 JJAARO CC(C)CNC(=O)c1cccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](C)CC3)n2)c1 ZINC000036038708 519742100 /nfs/dbraw/zinc/74/21/00/519742100.db2.gz FRRSNGAENOEFGD-UHFFFAOYSA-N 1 0 475.662 4.574 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146071 519773680 /nfs/dbraw/zinc/77/36/80/519773680.db2.gz ZTJDULXERPKFLT-UXHICEINSA-N 1 0 451.394 4.775 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307825 520090115 /nfs/dbraw/zinc/09/01/15/520090115.db2.gz JXOPOUCCRWKCBZ-QFIPXVFZSA-N 1 0 453.558 4.628 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306907 520154332 /nfs/dbraw/zinc/15/43/32/520154332.db2.gz MIUQNNLHMCNJTO-OAQYLSRUSA-N 1 0 453.558 4.628 50 0 JJAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000016752554 520424866 /nfs/dbraw/zinc/42/48/66/520424866.db2.gz NTGJDFUSHIQWPB-XMMPIXPASA-N 1 0 482.552 4.617 50 0 JJAARO CCOC(=O)C1C(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412499 520521106 /nfs/dbraw/zinc/52/11/06/520521106.db2.gz XDRMFTDUKASQOT-PDTOIUCRSA-N 1 0 465.638 4.669 50 0 JJAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(Cc2cccc4cccnc42)CCO3)C1 ZINC000014991560 520527334 /nfs/dbraw/zinc/52/73/34/520527334.db2.gz PWAASNKCAHDZNL-AREMUKBSSA-N 1 0 486.660 4.710 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000002410430 520603932 /nfs/dbraw/zinc/60/39/32/520603932.db2.gz MUJOHUFMABWBGK-NRFANRHFSA-N 1 0 469.379 4.833 50 0 JJAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F ZINC000022569245 520638567 /nfs/dbraw/zinc/63/85/67/520638567.db2.gz KNLQUAJWKRYFTQ-MSOLQXFVSA-N 1 0 461.586 4.525 50 0 JJAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC3(CC1)C(=O)N(Cc1ccccn1)C(=O)N3CCc1ccccc1)=CC2 ZINC000014534021 520644619 /nfs/dbraw/zinc/64/46/19/520644619.db2.gz HDAJVULVPNEZHD-BDYUSTAISA-N 1 0 498.671 4.916 50 0 JJAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC3(CC1)C(=O)N(Cc1ccccn1)C(=O)N3Cc1ccccc1)=CC2 ZINC000014749677 520644779 /nfs/dbraw/zinc/64/47/79/520644779.db2.gz FNHHLNYDCWLJNL-AHWVRZQESA-N 1 0 484.644 4.873 50 0 JJAARO CC[NH+](CC)CCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065005995 520681641 /nfs/dbraw/zinc/68/16/41/520681641.db2.gz LLDNNDLZNAVQIH-OAQYLSRUSA-N 1 0 490.648 4.750 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2F)cc1 ZINC000008911825 520683096 /nfs/dbraw/zinc/68/30/96/520683096.db2.gz GZBDMHUWFSIETI-UHFFFAOYSA-N 1 0 491.636 4.983 50 0 JJAARO CC[NH+](CC)CCn1c(NC(=O)c2cc(Br)ccc2OC(F)F)nc2ccccc21 ZINC000002792054 520714722 /nfs/dbraw/zinc/71/47/22/520714722.db2.gz WXUAIQYOTYCWGS-UHFFFAOYSA-N 1 0 481.341 4.994 50 0 JJAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000033428970 520893434 /nfs/dbraw/zinc/89/34/34/520893434.db2.gz CGWGCMAVZSROKA-PXJZQJOASA-N 1 0 450.586 4.651 50 0 JJAARO CCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000016753652 520897602 /nfs/dbraw/zinc/89/76/02/520897602.db2.gz KQDOSLDBUYGUBK-XMMPIXPASA-N 1 0 482.552 4.617 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2CCC[NH+]2CCCCC2)CC1 ZINC000021863587 520951682 /nfs/dbraw/zinc/95/16/82/520951682.db2.gz PGMDQMJPPORHKC-HVKFLMNHSA-N 1 0 480.653 4.534 50 0 JJAARO CCC[C@@]1(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(C[C@@H]2CCCO2)C1=O ZINC000014885948 520958465 /nfs/dbraw/zinc/95/84/65/520958465.db2.gz BPGLRWXJATWHBR-WNJJXGMVSA-N 1 0 475.633 4.835 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1)Cc1ccccc1 ZINC000065023204 521018760 /nfs/dbraw/zinc/01/87/60/521018760.db2.gz KAEGROCFJYVMLM-DEOSSOPVSA-N 1 0 475.612 4.528 50 0 JJAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340206 521243624 /nfs/dbraw/zinc/24/36/24/521243624.db2.gz JPTOELFLAKIXSD-VWLOTQADSA-N 1 0 462.613 4.855 50 0 JJAARO CCOc1ccccc1C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3c2)CC1 ZINC000012218272 521481351 /nfs/dbraw/zinc/48/13/51/521481351.db2.gz QMSLIVXZXOJNHC-OYRHEFFESA-N 1 0 492.616 4.565 50 0 JJAARO CCC(CC)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)Cc4cscn4)cc3c2)CC1 ZINC000014957561 521521951 /nfs/dbraw/zinc/52/19/51/521521951.db2.gz GOATXNWULUKBKL-UHFFFAOYSA-N 1 0 455.624 4.881 50 0 JJAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000014742602 521525172 /nfs/dbraw/zinc/52/51/72/521525172.db2.gz FKUACUUGCNHQGV-NRFANRHFSA-N 1 0 484.644 4.775 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000036309058 521536885 /nfs/dbraw/zinc/53/68/85/521536885.db2.gz FPSPMIXGABTZRW-OZXSUGGESA-N 1 0 478.658 4.569 50 0 JJAARO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)[C@@H](C)C(C)(C)O ZINC000036310285 521539165 /nfs/dbraw/zinc/53/91/65/521539165.db2.gz QKKIBLLNTBFVAE-RBBKRZOGSA-N 1 0 458.668 4.741 50 0 JJAARO CCCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012441485 521676321 /nfs/dbraw/zinc/67/63/21/521676321.db2.gz FDCGDZDAGRZLNS-MHZLTWQESA-N 1 0 450.623 4.804 50 0 JJAARO CCCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012441488 521677917 /nfs/dbraw/zinc/67/79/17/521677917.db2.gz FDCGDZDAGRZLNS-HHHXNRCGSA-N 1 0 450.623 4.804 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COCC ZINC000036303955 521679466 /nfs/dbraw/zinc/67/94/66/521679466.db2.gz QNWSTFRYOKRMNB-JOCHJYFZSA-N 1 0 453.583 4.591 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036302829 521680278 /nfs/dbraw/zinc/68/02/78/521680278.db2.gz MVGRUZNVCYTVTA-JOCHJYFZSA-N 1 0 467.610 4.845 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)CSc3nccn3-c3ccccc3C(C)C)cc2)CC1 ZINC000014902845 521698105 /nfs/dbraw/zinc/69/81/05/521698105.db2.gz HWUAXETZNKVUIZ-UHFFFAOYSA-N 1 0 463.651 4.868 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)c1ccccc1 ZINC000016599784 522022962 /nfs/dbraw/zinc/02/29/62/522022962.db2.gz DMJDCABDUOKTTL-MHZLTWQESA-N 1 0 476.584 4.574 50 0 JJAARO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1OCc1ccccc1 ZINC000023740922 522116900 /nfs/dbraw/zinc/11/69/00/522116900.db2.gz WDNTUVUGYQJFIC-DEOSSOPVSA-N 1 0 460.574 4.850 50 0 JJAARO COc1cc(C[NH2+]CCSc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016363653 522453787 /nfs/dbraw/zinc/45/37/87/522453787.db2.gz KLPAYWZWJAQTNE-UHFFFAOYSA-N 1 0 488.828 4.640 50 0 JJAARO CC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000036308899 522991174 /nfs/dbraw/zinc/99/11/74/522991174.db2.gz ISENYQZDMULMJQ-KNQAVFIVSA-N 1 0 465.059 4.635 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)cc3n2)cc1 ZINC000012370991 523105986 /nfs/dbraw/zinc/10/59/86/523105986.db2.gz PVOVSLQURVPQML-DYESRHJHSA-N 1 0 488.510 4.845 50 0 JJAARO COc1ccc(-c2cc(C(F)F)nc(N3CC[NH+](Cc4ccccc4C)CC3)n2)cc1OC ZINC000036613899 523106979 /nfs/dbraw/zinc/10/69/79/523106979.db2.gz VNKDESACFHQWJS-UHFFFAOYSA-N 1 0 454.521 4.729 50 0 JJAARO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)C3CCC3)CC2)c1)Cc1cccc2ccccc21 ZINC000014885216 523316250 /nfs/dbraw/zinc/31/62/50/523316250.db2.gz VMJFTMIALOLPFE-UHFFFAOYSA-N 1 0 471.645 4.795 50 0 JJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000034912455 523323257 /nfs/dbraw/zinc/32/32/57/523323257.db2.gz RAOHWPACIWORPF-UHFFFAOYSA-N 1 0 487.566 4.681 50 0 JJAARO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000014733691 523718032 /nfs/dbraw/zinc/71/80/32/523718032.db2.gz BIQJXWNUGKYLHL-UHFFFAOYSA-N 1 0 453.586 4.747 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COC(C)(C)C ZINC000036306949 523734457 /nfs/dbraw/zinc/73/44/57/523734457.db2.gz TWXSFTPGPMOBIU-JOCHJYFZSA-N 1 0 485.600 4.643 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H](O)COCC(C)C ZINC000036306933 523735343 /nfs/dbraw/zinc/73/53/43/523735343.db2.gz NASHMIUUJAINTQ-HSZRJFAPSA-N 1 0 485.600 4.500 50 0 JJAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014748260 523800326 /nfs/dbraw/zinc/80/03/26/523800326.db2.gz NWRIBUOPHZAIJN-UHFFFAOYSA-N 1 0 474.001 4.501 50 0 JJAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[NH+]2CCCCC2)C3=O)s1 ZINC000021810066 523845707 /nfs/dbraw/zinc/84/57/07/523845707.db2.gz NXDBYTKCMQDCQX-MHZLTWQESA-N 1 0 484.710 4.805 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCc3ccc(C[NH+]4CCCCCC4)o3)C2)s1 ZINC000033078460 523849429 /nfs/dbraw/zinc/84/94/29/523849429.db2.gz NPDQQTMHFOLPKK-IBGZPJMESA-N 1 0 481.666 4.756 50 0 JJAARO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000036146209 523879306 /nfs/dbraw/zinc/87/93/06/523879306.db2.gz YKBSAKYVPVDQGO-AHKZPQOWSA-N 1 0 495.019 4.922 50 0 JJAARO CCc1ccc(CNC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129402 523933570 /nfs/dbraw/zinc/93/35/70/523933570.db2.gz OYYVVNISMFKEGD-UHFFFAOYSA-N 1 0 471.605 4.802 50 0 JJAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](Cc1ccc(F)cc1Cl)CC2 ZINC000012245340 524023020 /nfs/dbraw/zinc/02/30/20/524023020.db2.gz LIBQOLBBUNAXBT-PKTZIBPZSA-N 1 0 463.018 4.562 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864600 524109258 /nfs/dbraw/zinc/10/92/58/524109258.db2.gz JFHDDFHUZBUMGE-PIKZIKFNSA-N 1 0 480.653 4.676 50 0 JJAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415143 524188533 /nfs/dbraw/zinc/18/85/33/524188533.db2.gz IHYDDBVYUNOGKR-ROUUACIJSA-N 1 0 483.657 4.969 50 0 JJAARO COc1cccc2c1nc(C(Cl)(Cl)Cl)nc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000016399545 524251695 /nfs/dbraw/zinc/25/16/95/524251695.db2.gz XXKSFCLJELHFGS-UHFFFAOYSA-N 1 0 451.785 4.787 50 0 JJAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000020384966 524264411 /nfs/dbraw/zinc/26/44/11/524264411.db2.gz ZVSHLSMKNQQKSR-UHFFFAOYSA-N 1 0 493.677 4.591 50 0 JJAARO COc1ccccc1/C=C/C[NH+]1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2ccn(C)n2)CC1 ZINC000014879091 524315743 /nfs/dbraw/zinc/31/57/43/524315743.db2.gz XGOAGTMEOSHUEH-GUJBEJLQSA-N 1 0 472.633 4.537 50 0 JJAARO COc1ccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1OC ZINC000004118902 524472143 /nfs/dbraw/zinc/47/21/43/524472143.db2.gz XDGQLAOUUWDYDY-UHFFFAOYSA-N 1 0 485.588 4.531 50 0 JJAARO C[C@H](CNS(=O)(=O)c1ccc2ccccc2c1)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000012325648 524493802 /nfs/dbraw/zinc/49/38/02/524493802.db2.gz ARJJYLBYHUENNS-HXUWFJFHSA-N 1 0 464.587 4.811 50 0 JJAARO C[C@@H](CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1)[NH+]1CCCC1 ZINC000065002194 524496179 /nfs/dbraw/zinc/49/61/79/524496179.db2.gz XEPRXGLXZBSZPT-NRFANRHFSA-N 1 0 492.067 4.819 50 0 JJAARO COc1ccccc1[C@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000014986414 524816329 /nfs/dbraw/zinc/81/63/29/524816329.db2.gz ZEKPZIAILKQIHH-HHHXNRCGSA-N 1 0 455.558 4.629 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306188 524989389 /nfs/dbraw/zinc/98/93/89/524989389.db2.gz HMJPTALHVASQLD-QFIPXVFZSA-N 1 0 465.594 4.638 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306198 524993127 /nfs/dbraw/zinc/99/31/27/524993127.db2.gz LMFMQGWZYSCVEO-QHCPKHFHSA-N 1 0 479.621 4.886 50 0 JJAARO Cc1ccc(NC(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(Cl)cc4)CC3)CC2)cc1C ZINC000034912101 525027352 /nfs/dbraw/zinc/02/73/52/525027352.db2.gz MPRKMNZWDSQCMN-UHFFFAOYSA-N 1 0 454.014 4.912 50 0 JJAARO C[C@H](NC(=O)c1ccc(N2CCC([N@H+](CCO)Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000012513073 525215161 /nfs/dbraw/zinc/21/51/61/525215161.db2.gz VVSBBZRGOXNIPI-QHCPKHFHSA-N 1 0 457.618 4.641 50 0 JJAARO COc1ccc2ccccc2c1C[N@@H+]1C[C@H](Sc2ccccn2)C[C@H]1C(=O)N(C)Cc1ccon1 ZINC000014995135 525650416 /nfs/dbraw/zinc/65/04/16/525650416.db2.gz LSTJIJRYARXYMB-QPPBQGQZSA-N 1 0 488.613 4.625 50 0 JJAARO COc1cccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)COC(C)(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206380 525718649 /nfs/dbraw/zinc/71/86/49/525718649.db2.gz URMUKZBIMVZATM-FQEVSTJZSA-N 1 0 499.677 4.971 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698108 525785921 /nfs/dbraw/zinc/78/59/21/525785921.db2.gz NCCQBEOGAMMUCM-LJAQVGFWSA-N 1 0 498.602 4.665 50 0 JJAARO Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)c2ccccc2)cc1F ZINC000036052139 525904692 /nfs/dbraw/zinc/90/46/92/525904692.db2.gz RFGMCUAIHRUNLF-UHFFFAOYSA-N 1 0 499.590 4.629 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146336 525925201 /nfs/dbraw/zinc/92/52/01/525925201.db2.gz SJVYFFQUYBHHCH-RSXGOPAZSA-N 1 0 464.993 4.947 50 0 JJAARO Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000065010263 525950703 /nfs/dbraw/zinc/95/07/03/525950703.db2.gz XYDTVKDZLBSRCP-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125124 526045746 /nfs/dbraw/zinc/04/57/46/526045746.db2.gz IDQLWDOVMXWEKU-IBGZPJMESA-N 1 0 473.061 4.692 50 0 JJAARO Cc1cc(C(=O)N(C)[C@H](Cc2ccccc2)C2CC[NH+](Cc3ccc(C)s3)CC2)n(C)n1 ZINC000014989286 526227166 /nfs/dbraw/zinc/22/71/66/526227166.db2.gz FCSLSDRIFSUCFB-XMMPIXPASA-N 1 0 450.652 4.694 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305417 526241088 /nfs/dbraw/zinc/24/10/88/526241088.db2.gz CCYOYNBSWSKCQG-JOCHJYFZSA-N 1 0 467.610 4.884 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305472 526241294 /nfs/dbraw/zinc/24/12/94/526241294.db2.gz LWOKHKWJQBYRPS-JOCHJYFZSA-N 1 0 465.594 4.638 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305488 526241963 /nfs/dbraw/zinc/24/19/63/526241963.db2.gz PVLOCBQVRAPRLI-HSZRJFAPSA-N 1 0 479.621 4.886 50 0 JJAARO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)C3)nc2c1 ZINC000033072147 526252028 /nfs/dbraw/zinc/25/20/28/526252028.db2.gz QAKOYEKCTQJXAV-RUZDIDTESA-N 1 0 473.665 4.549 50 0 JJAARO O[C@H](C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)COCc1ccc2c(c1)OCO2 ZINC000002664069 526276178 /nfs/dbraw/zinc/27/61/78/526276178.db2.gz YRYBDWLKRUCDRP-DENIHFKCSA-N 1 0 478.976 4.849 50 0 JJAARO O=C(C1CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033299539 526308585 /nfs/dbraw/zinc/30/85/85/526308585.db2.gz OVYYTKYKMSGMBQ-UHFFFAOYSA-N 1 0 497.618 4.789 50 0 JJAARO Fc1cccc(-c2noc(-c3ccc(NCCCN4CCC([NH+]5CCCCC5)CC4)nc3)n2)c1 ZINC000035461221 526381893 /nfs/dbraw/zinc/38/18/93/526381893.db2.gz QJXSQQORQRPUTM-UHFFFAOYSA-N 1 0 464.589 4.690 50 0 JJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000012374700 526420868 /nfs/dbraw/zinc/42/08/68/526420868.db2.gz ZHKOJPHSOWHHAZ-OXJNMPFZSA-N 1 0 476.474 4.976 50 0 JJAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014747214 526425631 /nfs/dbraw/zinc/42/56/31/526425631.db2.gz BMIVSZXEMUBNKE-BJKOFHAPSA-N 1 0 497.561 4.976 50 0 JJAARO O=C(NCCc1ccccn1)[C@@H]1CC12CC[NH+](Cc1cn(-c3ccccc3)nc1-c1ccccc1)CC2 ZINC000014997387 526433137 /nfs/dbraw/zinc/43/31/37/526433137.db2.gz CAKGXSCHAUFTSI-NDEPHWFRSA-N 1 0 491.639 4.895 50 0 JJAARO Cc1nc(-c2ccc(C(=O)N3CCC(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)CC3)cc2)no1 ZINC000033254448 526562905 /nfs/dbraw/zinc/56/29/05/526562905.db2.gz LXUIQERLUDQSJQ-UHFFFAOYSA-N 1 0 487.604 4.522 50 0 JJAARO Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4cccc(C[NH+]5CCCC5)c4)c(C)n3)c2)no1 ZINC000033275306 526565538 /nfs/dbraw/zinc/56/55/38/526565538.db2.gz UKCVXTAILPOYAR-UHFFFAOYSA-N 1 0 456.550 4.696 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065006599 526568569 /nfs/dbraw/zinc/56/85/69/526568569.db2.gz DXOQBAVLLUCLPD-NRFANRHFSA-N 1 0 496.721 4.907 50 0 JJAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012196555 526569396 /nfs/dbraw/zinc/56/93/96/526569396.db2.gz OPIMZKKXDBRAQH-GOSISDBHSA-N 1 0 450.501 4.707 50 0 JJAARO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000014881650 526575999 /nfs/dbraw/zinc/57/59/99/526575999.db2.gz CFMHPEIECOBCCU-PDDLMNHVSA-N 1 0 469.629 4.592 50 0 JJAARO O=C(c1ccc(SCC[NH+]2CCCCC2)nc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033115224 526712081 /nfs/dbraw/zinc/71/20/81/526712081.db2.gz LNPHFMAZPHNDJK-UHFFFAOYSA-N 1 0 478.584 4.641 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035488916 526729633 /nfs/dbraw/zinc/72/96/33/526729633.db2.gz GMFSZWFKYGVOPH-SRDXBBKJSA-N 1 0 486.955 4.977 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](C/C=C/c3ccco3)CC2)N1CCc1ccccc1 ZINC000014747631 527037837 /nfs/dbraw/zinc/03/78/37/527037837.db2.gz DDGORWRQYIQARA-NTUHNPAUSA-N 1 0 469.585 4.835 50 0 JJAARO O=C(Cc1ccc(N2CCC([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1)NCc1ccccc1 ZINC000014975631 527235625 /nfs/dbraw/zinc/23/56/25/527235625.db2.gz XPJCWZWDIVGRLI-UHFFFAOYSA-N 1 0 497.618 4.629 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014732416 527272582 /nfs/dbraw/zinc/27/25/82/527272582.db2.gz QUHDILATMPXBSK-RRPNLBNLSA-N 1 0 499.630 4.750 50 0 JJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000064968160 527666975 /nfs/dbraw/zinc/66/69/75/527666975.db2.gz NPPJXDIVQLHQME-UHFFFAOYSA-N 1 0 482.628 4.551 50 0 JJAARO CCOC(=O)c1c2ccc(Br)c(OCC[NH+](CC)CC)c2sc1NC(C)=O ZINC000000722149 553772956 /nfs/dbraw/zinc/77/29/56/553772956.db2.gz CSQPRVLHHWJZIO-UHFFFAOYSA-N 1 0 457.390 4.520 50 0 JJAARO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(SC)cc2)N2NC=NC2=N3)cc1 ZINC000002707385 554296190 /nfs/dbraw/zinc/29/61/90/554296190.db2.gz PNXVJHQALNKXHV-DQEYMECFSA-N 1 0 482.565 4.999 50 0 JJAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000002890376 554409017 /nfs/dbraw/zinc/40/90/17/554409017.db2.gz KYEFJMVVDOHPQL-NRFANRHFSA-N 1 0 469.379 4.751 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002890463 554409145 /nfs/dbraw/zinc/40/91/45/554409145.db2.gz ODJWCHBRRCMKEH-OAQYLSRUSA-N 1 0 469.379 4.833 50 0 JJAARO COc1ccccc1CC[NH2+][C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414555 554578360 /nfs/dbraw/zinc/57/83/60/554578360.db2.gz YYPHLVOICVDCFI-JOCHJYFZSA-N 1 0 471.582 4.745 50 0 JJAARO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000008432228 554585322 /nfs/dbraw/zinc/58/53/22/554585322.db2.gz OKIRYLJKQDJPIL-UHFFFAOYSA-N 1 0 460.596 4.670 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008766569 554666865 /nfs/dbraw/zinc/66/68/65/554666865.db2.gz UCIOAOWXEZXYLF-NRFANRHFSA-N 1 0 495.067 4.913 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)n1 ZINC000008779965 554677244 /nfs/dbraw/zinc/67/72/44/554677244.db2.gz YBEVJXKTFPXSJC-QIPOQYIFSA-N 1 0 482.660 4.679 50 0 JJAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3n2)cc1OC ZINC000008814262 554696461 /nfs/dbraw/zinc/69/64/61/554696461.db2.gz XXPJXXRRMAKTRM-UHFFFAOYSA-N 1 0 462.594 4.992 50 0 JJAARO CCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008915736 554809609 /nfs/dbraw/zinc/80/96/09/554809609.db2.gz WRJYMSQBKFVYKM-HSZRJFAPSA-N 1 0 452.526 4.608 50 0 JJAARO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccco1 ZINC000008928019 554825621 /nfs/dbraw/zinc/82/56/21/554825621.db2.gz BTJMBLPCAZGAKF-NRFANRHFSA-N 1 0 467.547 4.766 50 0 JJAARO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000009065398 554885253 /nfs/dbraw/zinc/88/52/53/554885253.db2.gz HECHHTRJLGCOQB-XMMPIXPASA-N 1 0 483.568 4.960 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)[NH+]2CCCC2)cc1 ZINC000009112717 554900171 /nfs/dbraw/zinc/90/01/71/554900171.db2.gz LWTCMAPTIQWYOL-RUZDIDTESA-N 1 0 468.557 4.979 50 0 JJAARO Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC000009112871 554900191 /nfs/dbraw/zinc/90/01/91/554900191.db2.gz UAQBNDPEYQQLLA-VWLOTQADSA-N 1 0 491.035 4.900 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151267 554937933 /nfs/dbraw/zinc/93/79/33/554937933.db2.gz CLFNZSAGGLNSTA-XMMPIXPASA-N 1 0 485.657 4.986 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c(SCc3ccccc3F)nc3cccnc32)cc1 ZINC000009151316 554938256 /nfs/dbraw/zinc/93/82/56/554938256.db2.gz PBJGKDPAUBCHJG-UHFFFAOYSA-N 1 0 489.620 4.737 50 0 JJAARO C[NH+]1CCN(c2ccccc2NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)CC1 ZINC000009152942 554941776 /nfs/dbraw/zinc/94/17/76/554941776.db2.gz OGBVFTMFQXKDKZ-UHFFFAOYSA-N 1 0 464.013 4.934 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)c2ccccc2c1=O ZINC000009227636 555000698 /nfs/dbraw/zinc/00/06/98/555000698.db2.gz CJKYHCBCUAIYEO-UHFFFAOYSA-N 1 0 478.612 4.873 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)CC1 ZINC000009265465 555041328 /nfs/dbraw/zinc/04/13/28/555041328.db2.gz HQOFPHHFYOBUJL-UHFFFAOYSA-N 1 0 477.605 4.957 50 0 JJAARO CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289325 555063656 /nfs/dbraw/zinc/06/36/56/555063656.db2.gz ZGYBONLZZLLUEJ-AZUAARDMSA-N 1 0 454.640 4.642 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cccnc2SCc2cc(C)on2)[NH+]2CCCCC2)cc1 ZINC000009378071 555139723 /nfs/dbraw/zinc/13/97/23/555139723.db2.gz HPBYMVVWKZRKHR-QHCPKHFHSA-N 1 0 466.607 4.636 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402974 555160976 /nfs/dbraw/zinc/16/09/76/555160976.db2.gz QHAAJNXBRWTNOE-CYFREDJKSA-N 1 0 483.659 4.813 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](C)[C@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000009402977 555160995 /nfs/dbraw/zinc/16/09/95/555160995.db2.gz QHAAJNXBRWTNOE-NTKDMRAZSA-N 1 0 483.659 4.813 50 0 JJAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 ZINC000009410063 555175863 /nfs/dbraw/zinc/17/58/63/555175863.db2.gz DSTNMSUNIOTOCO-UHFFFAOYSA-N 1 0 451.625 4.550 50 0 JJAARO CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432482 555201474 /nfs/dbraw/zinc/20/14/74/555201474.db2.gz FHLQTCVWDSLCOU-RPBOFIJWSA-N 1 0 477.630 4.813 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N(C)[C@H]3c3cccs3)CC2)c1 ZINC000009432395 555201547 /nfs/dbraw/zinc/20/15/47/555201547.db2.gz KEVATEMXSRYOAY-SXOMAYOGSA-N 1 0 487.669 4.995 50 0 JJAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009461065 555228348 /nfs/dbraw/zinc/22/83/48/555228348.db2.gz KJOLQPJCGOOCMB-SFHVURJKSA-N 1 0 493.604 4.644 50 0 JJAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1 ZINC000009490452 555265840 /nfs/dbraw/zinc/26/58/40/555265840.db2.gz VDFGZTCEJGURCG-UHFFFAOYSA-N 1 0 498.421 4.950 50 0 JJAARO Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000013165151 555368224 /nfs/dbraw/zinc/36/82/24/555368224.db2.gz GONUJCDBVPYEFK-XMMPIXPASA-N 1 0 461.562 4.588 50 0 JJAARO 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 555382174 /nfs/dbraw/zinc/38/21/74/555382174.db2.gz OKTCAOHXJYGKFK-OVUDXRBESA-N 1 0 480.697 4.506 50 0 JJAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000009598005 555415312 /nfs/dbraw/zinc/41/53/12/555415312.db2.gz ZJKLNCOOAYOMNM-FGZHOGPDSA-N 1 0 493.696 4.736 50 0 JJAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3cc(Cl)sc3Cl)nc21 ZINC000009604192 555430601 /nfs/dbraw/zinc/43/06/01/555430601.db2.gz KRFSWPXXEYZUGT-UHFFFAOYSA-N 1 0 460.408 4.890 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(NC(=O)C2=CSCCO2)cc1 ZINC000009738175 555469829 /nfs/dbraw/zinc/46/98/29/555469829.db2.gz ZNKALGQPMXHTDS-UHFFFAOYSA-N 1 0 486.037 4.525 50 0 JJAARO CC(C)Cc1nc2sc3c(nc(N4CC[NH2+]CC4)n(-c4cccc(Cl)c4)c3=O)c2c2c1CCC2 ZINC000013540360 555488989 /nfs/dbraw/zinc/48/89/89/555488989.db2.gz WECWQAMURPBYNH-UHFFFAOYSA-N 1 0 494.064 4.746 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000009780555 555500036 /nfs/dbraw/zinc/50/00/36/555500036.db2.gz MBOHWMVUYLRUJW-UHFFFAOYSA-N 1 0 492.620 4.951 50 0 JJAARO [NH2+]=C1NC(SCC(=O)N(c2ccccc2)c2ccccc2)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579232 555518310 /nfs/dbraw/zinc/51/83/10/555518310.db2.gz GBVHLJKJYUHMSV-HSZRJFAPSA-N 1 0 454.559 4.539 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(C)C)[NH2+][C@]12C(=O)Nc1c2cccc1Cl ZINC000013592237 555526811 /nfs/dbraw/zinc/52/68/11/555526811.db2.gz SRQNAJTZDUYEIX-UIMAMFOWSA-N 1 0 462.377 4.812 50 0 JJAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(N3CCC([NH+]4CCCCC4)CC3)n2n1 ZINC000009831120 555532442 /nfs/dbraw/zinc/53/24/42/555532442.db2.gz RTHTVNHDEFQAHM-UHFFFAOYSA-N 1 0 494.647 4.633 50 0 JJAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC[NH+]3[C@@H](C)CCC[C@@H]3C)n2n1 ZINC000009831126 555532524 /nfs/dbraw/zinc/53/25/24/555532524.db2.gz ZUXIYCIFFZQHLX-PMACEKPBSA-N 1 0 482.636 4.853 50 0 JJAARO COc1cc2nc(NCCC[N@H+](C)Cc3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831142 555532541 /nfs/dbraw/zinc/53/25/41/555532541.db2.gz JBEHYSZCHKAVPK-UHFFFAOYSA-N 1 0 482.588 4.896 50 0 JJAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC[NH+](C)C)occ3-c1ccc(F)cc1 ZINC000013628332 555540257 /nfs/dbraw/zinc/54/02/57/555540257.db2.gz DBGIIJYTXKVEFE-UHFFFAOYSA-N 1 0 450.510 4.654 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1 ZINC000009841114 555543818 /nfs/dbraw/zinc/54/38/18/555543818.db2.gz VMLMDIOVVBTYIN-QHCPKHFHSA-N 1 0 494.709 4.503 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)sc2c1 ZINC000009848138 555549898 /nfs/dbraw/zinc/54/98/98/555549898.db2.gz BFYYHNUJKJFLEP-NRFANRHFSA-N 1 0 466.651 4.550 50 0 JJAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009849740 555552028 /nfs/dbraw/zinc/55/20/28/555552028.db2.gz RRDDZVZEGJLVFY-UHFFFAOYSA-N 1 0 487.619 4.966 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116161 555653683 /nfs/dbraw/zinc/65/36/83/555653683.db2.gz QWAOVVDXYJPXGJ-LQBRVFCJSA-N 1 0 465.682 4.509 50 0 JJAARO COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000014094251 555686459 /nfs/dbraw/zinc/68/64/59/555686459.db2.gz QIKKGHUHGBQHSI-XMMPIXPASA-N 1 0 456.546 4.708 50 0 JJAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000014199474 555731045 /nfs/dbraw/zinc/73/10/45/555731045.db2.gz OOWAZRKIWXXXBM-NHCUHLMSSA-N 1 0 499.677 4.501 50 0 JJAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H](Cc3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531279 555798805 /nfs/dbraw/zinc/79/88/05/555798805.db2.gz YRTQRXSWAGTTQL-SSEXGKCCSA-N 1 0 495.667 4.899 50 0 JJAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@H](Cc3ccccc3)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531280 555798993 /nfs/dbraw/zinc/79/89/93/555798993.db2.gz YRTQRXSWAGTTQL-PMERELPUSA-N 1 0 495.667 4.899 50 0 JJAARO COc1cccc(C[C@H](C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)N(C)C(=O)c2ccco2)c1 ZINC000011782749 555813332 /nfs/dbraw/zinc/81/33/32/555813332.db2.gz KMCBOSNJJBOJPD-AREMUKBSSA-N 1 0 492.616 4.901 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccs2)CC1 ZINC000014515149 555816184 /nfs/dbraw/zinc/81/61/84/555816184.db2.gz MXPHNUVUNINGFO-QFIPXVFZSA-N 1 0 474.070 4.843 50 0 JJAARO C[C@@H](C[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1)c1ccccc1 ZINC000011786745 555820239 /nfs/dbraw/zinc/82/02/39/555820239.db2.gz FQPDIZJSESHZDS-NRFANRHFSA-N 1 0 471.601 4.707 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@@H+](Cc2ccccc2)C1 ZINC000014533127 555821397 /nfs/dbraw/zinc/82/13/97/555821397.db2.gz QSBFRFHSDUTTOF-BJKOFHAPSA-N 1 0 473.642 4.630 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccccc3Cl)CC2)N1Cc1ccccc1 ZINC000014534642 555823323 /nfs/dbraw/zinc/82/33/23/555823323.db2.gz KQXZRXYHTMLTBP-UHFFFAOYSA-N 1 0 474.992 4.734 50 0 JJAARO Cc1nonc1CN(C)C(=O)[C@@H]1CC12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000011789121 555823942 /nfs/dbraw/zinc/82/39/42/555823942.db2.gz GFJWEWIYOHWXOP-IBGZPJMESA-N 1 0 454.958 4.552 50 0 JJAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](CC3CCCCC3)CC2)N1CCc1ccccc1 ZINC000014535580 555824295 /nfs/dbraw/zinc/82/42/95/555824295.db2.gz XASJATSNOLJQQZ-UHFFFAOYSA-N 1 0 460.622 4.503 50 0 JJAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]C[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000011790368 555825992 /nfs/dbraw/zinc/82/59/92/555825992.db2.gz OJVSDPUHKBZBMY-RUZDIDTESA-N 1 0 498.675 4.523 50 0 JJAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000014537726 555827300 /nfs/dbraw/zinc/82/73/00/555827300.db2.gz JZRUELMOSPIEGS-OAQYLSRUSA-N 1 0 477.678 4.732 50 0 JJAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+]([C@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000014538966 555828657 /nfs/dbraw/zinc/82/86/57/555828657.db2.gz QCPPRRKAPWZPAL-JOCHJYFZSA-N 1 0 487.648 4.839 50 0 JJAARO COc1cc(OC)c(NC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1Cl ZINC000020574576 555829181 /nfs/dbraw/zinc/82/91/81/555829181.db2.gz BKQXRUOIDZXUCM-UHFFFAOYSA-N 1 0 469.973 4.610 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(Br)cc3)c2C2CC[NH2+]CC2)cc1C ZINC000020575040 555829846 /nfs/dbraw/zinc/82/98/46/555829846.db2.gz VLQPYQIEQDRTCO-UHFFFAOYSA-N 1 0 453.384 4.971 50 0 JJAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(SC)cc2)CC1)c1ccccc1 ZINC000011816559 555831185 /nfs/dbraw/zinc/83/11/85/555831185.db2.gz GGPWCWLEDYCUKU-DEOSSOPVSA-N 1 0 450.608 4.768 50 0 JJAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCc1nc(-c2ccccc2)cs1 ZINC000011839931 555832920 /nfs/dbraw/zinc/83/29/20/555832920.db2.gz SMDGRXMSTCQHPV-OAQYLSRUSA-N 1 0 453.583 4.541 50 0 JJAARO CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)Nc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000020579171 555833975 /nfs/dbraw/zinc/83/39/75/555833975.db2.gz PHBSKXRGKDIRRW-UHFFFAOYSA-N 1 0 496.659 4.990 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020686593 555847289 /nfs/dbraw/zinc/84/72/89/555847289.db2.gz JNKMSEDHGGNYIG-UMEGOILYSA-N 1 0 468.041 4.849 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1nc(-c2ccccc2)cs1 ZINC000015002726 555847536 /nfs/dbraw/zinc/84/75/36/555847536.db2.gz WUOHRMHJXFDGDO-IBGZPJMESA-N 1 0 484.021 4.906 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C4)cs1 ZINC000015002358 555847584 /nfs/dbraw/zinc/84/75/84/555847584.db2.gz XSOBRMXMUVHVQM-YVEFUNNKSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C4)cs1 ZINC000015002355 555847631 /nfs/dbraw/zinc/84/76/31/555847631.db2.gz XSOBRMXMUVHVQM-PXAZEXFGSA-N 1 0 472.586 4.758 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)[C@H]1c1cccs1 ZINC000020904404 555849203 /nfs/dbraw/zinc/84/92/03/555849203.db2.gz LIGYPBGXMHTTCT-DCEDVJGZSA-N 1 0 467.679 4.923 50 0 JJAARO COc1ccc(OC)c(NC(=O)c2cc3cc(C4(O)CC[NH+](Cc5ccccn5)CC4)ccc3o2)c1 ZINC000015004077 555849182 /nfs/dbraw/zinc/84/91/82/555849182.db2.gz GMMVFUQDPYROFU-UHFFFAOYSA-N 1 0 487.556 4.581 50 0 JJAARO c1ccc(CCSc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000015007438 555851889 /nfs/dbraw/zinc/85/18/89/555851889.db2.gz CCHHRYAGEKEHTF-XMMPIXPASA-N 1 0 463.651 4.567 50 0 JJAARO O=C(C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000021585234 555852925 /nfs/dbraw/zinc/85/29/25/555852925.db2.gz HWYCQSWKIVMKAA-UHFFFAOYSA-N 1 0 451.586 4.838 50 0 JJAARO COc1cccc(C[NH2+]C2CCN(c3cccc(NC(=O)CC4CCCC4)c3)CC2)c1OC ZINC000011970307 555873606 /nfs/dbraw/zinc/87/36/06/555873606.db2.gz LAWAIBFWTWGORH-UHFFFAOYSA-N 1 0 451.611 4.981 50 0 JJAARO Cc1ccc2nc(C)cc(C(=O)NC[C@@H]3CCC4(CC[NH+](Cc5ccccc5F)CC4)O3)c2c1 ZINC000011973105 555874626 /nfs/dbraw/zinc/87/46/26/555874626.db2.gz QKKIEHVZSRNHOH-QFIPXVFZSA-N 1 0 461.581 4.934 50 0 JJAARO CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000012037640 555890685 /nfs/dbraw/zinc/89/06/85/555890685.db2.gz KKOHAORHZZGIBN-VWLOTQADSA-N 1 0 451.014 4.669 50 0 JJAARO Cc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)o1 ZINC000012038186 555891307 /nfs/dbraw/zinc/89/13/07/555891307.db2.gz CVOQSVXFJJGGRV-QHCPKHFHSA-N 1 0 452.624 4.879 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000012051982 555896335 /nfs/dbraw/zinc/89/63/35/555896335.db2.gz UROLGCIPUSSNGI-HSZRJFAPSA-N 1 0 486.513 4.949 50 0 JJAARO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)c1 ZINC000015319160 555897291 /nfs/dbraw/zinc/89/72/91/555897291.db2.gz DDTOXYXZWVFIFO-UTKZUKDTSA-N 1 0 488.510 4.845 50 0 JJAARO CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000012099283 555906682 /nfs/dbraw/zinc/90/66/82/555906682.db2.gz LKYIHTZNQTZDFG-RPBOFIJWSA-N 1 0 488.613 4.708 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012133586 555912717 /nfs/dbraw/zinc/91/27/17/555912717.db2.gz BPADUQXFWFOEIS-MHZLTWQESA-N 1 0 498.631 4.824 50 0 JJAARO Cc1cccc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)n1 ZINC000012135699 555913464 /nfs/dbraw/zinc/91/34/64/555913464.db2.gz JSJJZQZWNSPKFQ-VWLOTQADSA-N 1 0 477.678 4.875 50 0 JJAARO COc1cccc(-c2nc3cc(Cl)ccc3cc2C[NH2+]CCCN2CCCC2=O)c1OC ZINC000012149121 555920995 /nfs/dbraw/zinc/92/09/95/555920995.db2.gz HJIRKRQJTNNQQO-UHFFFAOYSA-N 1 0 453.970 4.675 50 0 JJAARO Cn1c(CCNC(=O)[C@H]2CC23CC[NH+](Cc2cc4ccccc4s2)CC3)nc2ccccc21 ZINC000012151437 555924112 /nfs/dbraw/zinc/92/41/12/555924112.db2.gz DDDXTLLSJZVEMC-OAQYLSRUSA-N 1 0 458.631 4.749 50 0 JJAARO Cc1nc([C@H](C)[NH2+]C2CCN(c3ccc(CC(=O)NCCc4cccc(F)c4)cc3)CC2)cs1 ZINC000012151803 555924845 /nfs/dbraw/zinc/92/48/45/555924845.db2.gz SBHSJTSNRASLCK-IBGZPJMESA-N 1 0 480.653 4.812 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015675655 555934233 /nfs/dbraw/zinc/93/42/33/555934233.db2.gz RLKFDBMIHDECQV-HHHXNRCGSA-N 1 0 468.642 4.554 50 0 JJAARO O=C(NCc1cnc2ccccc2c1)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)[nH]c1=O ZINC000012182323 555935443 /nfs/dbraw/zinc/93/54/43/555935443.db2.gz WZPWABAXAULNMF-QHCPKHFHSA-N 1 0 466.585 4.623 50 0 JJAARO COc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c2ccccc12 ZINC000012213186 555944028 /nfs/dbraw/zinc/94/40/28/555944028.db2.gz GPXULYVIRBOMHK-QHCPKHFHSA-N 1 0 487.604 4.608 50 0 JJAARO CCOC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C/C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000012340755 555953551 /nfs/dbraw/zinc/95/35/51/555953551.db2.gz SPZLGBNVOJVCAE-BKUYFWCQSA-N 1 0 471.966 4.674 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000012343998 555955593 /nfs/dbraw/zinc/95/55/93/555955593.db2.gz SCHSHNBEMXOPDF-NRFANRHFSA-N 1 0 469.379 4.833 50 0 JJAARO Cc1ccc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721587 555955926 /nfs/dbraw/zinc/95/59/26/555955926.db2.gz PPTFXCHMPFBNRH-MUUNZHRXSA-N 1 0 467.613 4.863 50 0 JJAARO COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000015726947 555965849 /nfs/dbraw/zinc/96/58/49/555965849.db2.gz QFFYMBZYBNFJRU-UHFFFAOYSA-N 1 0 460.912 4.840 50 0 JJAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000012383488 555971532 /nfs/dbraw/zinc/97/15/32/555971532.db2.gz HZSSVFWHQZPVCS-INIZCTEOSA-N 1 0 453.384 4.664 50 0 JJAARO Cc1sc2nc(CSc3ccc(Cl)cc3)nc(NCCN3CC[NH+](C)CC3)c2c1C ZINC000022926794 555978161 /nfs/dbraw/zinc/97/81/61/555978161.db2.gz SVBBNKFLAQBZJV-UHFFFAOYSA-N 1 0 462.088 4.913 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000012456125 555981576 /nfs/dbraw/zinc/98/15/76/555981576.db2.gz KGRBWKKPSZLAPT-NRFANRHFSA-N 1 0 484.629 4.581 50 0 JJAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000022936219 555988541 /nfs/dbraw/zinc/98/85/41/555988541.db2.gz MJQVIIXWICJDJK-UHFFFAOYSA-N 1 0 477.653 4.509 50 0 JJAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000022938142 555991126 /nfs/dbraw/zinc/99/11/26/555991126.db2.gz QRRAIPRNZSLOOX-UHFFFAOYSA-N 1 0 479.628 4.721 50 0 JJAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)cc2)c1 ZINC000012521119 555992227 /nfs/dbraw/zinc/99/22/27/555992227.db2.gz PAXZIKXXXUIJET-HSZRJFAPSA-N 1 0 481.618 4.654 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3Cc4ccccc4N3C(=O)c3ccccc3)CC2)cc1 ZINC000015773989 555992331 /nfs/dbraw/zinc/99/23/31/555992331.db2.gz JROVANCXXRGQHJ-MUUNZHRXSA-N 1 0 467.613 4.595 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773997 555992452 /nfs/dbraw/zinc/99/24/52/555992452.db2.gz MDODVCQVEZXONF-GDLZYMKVSA-N 1 0 481.640 4.719 50 0 JJAARO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)cc1 ZINC000012536214 556009305 /nfs/dbraw/zinc/00/93/05/556009305.db2.gz HNIYHASJQHSEOP-UHFFFAOYSA-N 1 0 499.677 4.805 50 0 JJAARO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000012540280 556013996 /nfs/dbraw/zinc/01/39/96/556013996.db2.gz FGXCTOGPMWLOIZ-CJFMBICVSA-N 1 0 474.022 4.944 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1cccc(OC)c1 ZINC000023182565 556029082 /nfs/dbraw/zinc/02/90/82/556029082.db2.gz WHIQFANVBROPCX-QFIPXVFZSA-N 1 0 469.607 4.552 50 0 JJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859972 556031446 /nfs/dbraw/zinc/03/14/46/556031446.db2.gz GPCCVPBSPCAOEI-LJQANCHMSA-N 1 0 453.564 4.521 50 0 JJAARO CCCC(=O)Nc1nc2ccc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000015861839 556034112 /nfs/dbraw/zinc/03/41/12/556034112.db2.gz HACNFGSAIJOEDU-UHFFFAOYSA-N 1 0 464.635 4.748 50 0 JJAARO O=C(c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2)N1CCC([NH+]2CCCCC2)CC1 ZINC000015862566 556035531 /nfs/dbraw/zinc/03/55/31/556035531.db2.gz SZYAZOJNMMEUHW-JJIBRWJFSA-N 1 0 465.981 4.803 50 0 JJAARO CC[C@@H]([NH2+]Cc1cnc(SC)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023334771 556044039 /nfs/dbraw/zinc/04/40/39/556044039.db2.gz MZLDJGHHYXMOPZ-HSZRJFAPSA-N 1 0 451.615 4.905 50 0 JJAARO CSc1ccc2cc(C[NH2+]CC3(N4CCOCC4)CCCCC3)c(=O)n(CC(C)C)c2c1 ZINC000023340178 556047738 /nfs/dbraw/zinc/04/77/38/556047738.db2.gz PTMWUWLFJDDIHL-UHFFFAOYSA-N 1 0 457.684 4.504 50 0 JJAARO Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)c3)n2)o1 ZINC000023428093 556054675 /nfs/dbraw/zinc/05/46/75/556054675.db2.gz WRVAEKFZRUPZTP-GOSISDBHSA-N 1 0 464.614 4.523 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)c1c2c(sc1NC(=O)C[NH2+]CCc1ccccc1)CCC2 ZINC000015946669 556083386 /nfs/dbraw/zinc/08/33/86/556083386.db2.gz IWLHOZWZHFAXJZ-UHFFFAOYSA-N 1 0 484.021 4.922 50 0 JJAARO CCCSc1nc2ccccc2n1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000023907557 556099635 /nfs/dbraw/zinc/09/96/35/556099635.db2.gz OUOIYJOUUHVVFP-UHFFFAOYSA-N 1 0 452.580 4.575 50 0 JJAARO Cc1cccn2c(=O)cc(CN3CC[NH+](Cc4ccc(-c5ccccc5Cl)s4)CC3)nc12 ZINC000024745993 556147813 /nfs/dbraw/zinc/14/78/13/556147813.db2.gz NKQRRPYOXDRLPL-UHFFFAOYSA-N 1 0 465.022 4.703 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[NH+](C)C)c1 ZINC000012937126 556151750 /nfs/dbraw/zinc/15/17/50/556151750.db2.gz AFLXHEMHCKGKGH-FQEVSTJZSA-N 1 0 457.983 4.695 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)COc2ccc(Oc3ccccn3)cc2)c2cccs2)CC1 ZINC000024974393 556166514 /nfs/dbraw/zinc/16/65/14/556166514.db2.gz VADWIQMXVXXVEK-JOCHJYFZSA-N 1 0 451.592 4.904 50 0 JJAARO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)c(C)c2O)cc1 ZINC000024987048 556170073 /nfs/dbraw/zinc/17/00/73/556170073.db2.gz PCPWLTCTAROBQS-UHFFFAOYSA-N 1 0 484.600 4.967 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000012987571 556182158 /nfs/dbraw/zinc/18/21/58/556182158.db2.gz KIORNLOZNXGYKX-OAQYLSRUSA-N 1 0 492.066 4.649 50 0 JJAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000025261072 556206512 /nfs/dbraw/zinc/20/65/12/556206512.db2.gz RSCMUJNNRKVQOC-UHFFFAOYSA-N 1 0 461.381 4.827 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(Br)cc4)c3C)c(C)c2)CC1 ZINC000025741018 556231864 /nfs/dbraw/zinc/23/18/64/556231864.db2.gz ROTQKBXUPFTVEO-UHFFFAOYSA-N 1 0 482.426 4.646 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)[NH+]2CCCCC2)cc1 ZINC000027669153 556303946 /nfs/dbraw/zinc/30/39/46/556303946.db2.gz BTZRXTASNAPVAO-HXUWFJFHSA-N 1 0 467.591 4.867 50 0 JJAARO CCCCOc1c(Cl)cc(C(=O)N2CCC[N@H+](CCc3ccncc3)CC2)cc1Cl ZINC000027745504 556305042 /nfs/dbraw/zinc/30/50/42/556305042.db2.gz SSJPDTNAWFCHSY-UHFFFAOYSA-N 1 0 450.410 4.958 50 0 JJAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028291775 556328695 /nfs/dbraw/zinc/32/86/95/556328695.db2.gz RAIRKJIOJPWFIT-IBGZPJMESA-N 1 0 455.352 4.513 50 0 JJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000019337205 556342726 /nfs/dbraw/zinc/34/27/26/556342726.db2.gz GKOAJLSYQKNTRN-BKMJKUGQSA-N 1 0 496.659 4.690 50 0 JJAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000019740212 556364138 /nfs/dbraw/zinc/36/41/38/556364138.db2.gz SNOQQUKTUJJBPJ-NDEPHWFRSA-N 1 0 494.643 4.834 50 0 JJAARO O=c1c2sc(-c3ccc(F)cc3)cc2nc(SCC[NH+]2CCCC2)n1Cc1cccnc1 ZINC000019797158 556374767 /nfs/dbraw/zinc/37/47/67/556374767.db2.gz KOUNEEBDRAWSAV-UHFFFAOYSA-N 1 0 466.607 4.895 50 0 JJAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@@H]([NH2+]Cc1ccc(F)cc1F)CC3 ZINC000019811932 556382602 /nfs/dbraw/zinc/38/26/02/556382602.db2.gz DQELRHQMJRWDRJ-IBGZPJMESA-N 1 0 463.553 4.723 50 0 JJAARO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1Cl ZINC000019831003 556398075 /nfs/dbraw/zinc/39/80/75/556398075.db2.gz OPBJBEMLGNCPSE-RUZDIDTESA-N 1 0 474.004 4.688 50 0 JJAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)n2)cc1 ZINC000032579043 556446303 /nfs/dbraw/zinc/44/63/03/556446303.db2.gz NFBOSQOWAFJQBX-UHFFFAOYSA-N 1 0 460.578 4.568 50 0 JJAARO CC[C@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590204 562942554 /nfs/dbraw/zinc/94/25/54/562942554.db2.gz WYVNWVLNIMVDCG-SFHVURJKSA-N 1 0 454.596 4.817 50 0 JJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)Nc3ccccc3Br)cc12 ZINC000008595788 562944137 /nfs/dbraw/zinc/94/41/37/562944137.db2.gz QATHEGMSIGERSI-UHFFFAOYSA-N 1 0 454.372 4.702 50 0 JJAARO C[NH+](C)C1(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CCCCC1 ZINC000033019870 563110315 /nfs/dbraw/zinc/11/03/15/563110315.db2.gz ZRRJEAAPXGJTOC-UHFFFAOYSA-N 1 0 484.449 4.789 50 0 JJAARO COc1c(F)c(F)c(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c(F)c1F ZINC000055554234 563206058 /nfs/dbraw/zinc/20/60/58/563206058.db2.gz FLOVYJLTXSWHOB-UHFFFAOYSA-N 1 0 473.470 4.826 50 0 aggregator JJAARO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000057121052 569594541 /nfs/dbraw/zinc/59/45/41/569594541.db2.gz RHIBDXKMQJLMGR-BYSIJJKSSA-N 1 0 497.982 4.663 50 0 JJAARO CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057254344 569594894 /nfs/dbraw/zinc/59/48/94/569594894.db2.gz HRHUGACUMHJLEN-UHFFFAOYSA-N 1 0 488.657 4.924 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2cccc(C)c2)c1 ZINC000057227584 569594913 /nfs/dbraw/zinc/59/49/13/569594913.db2.gz KDRGSJWXABSOCP-UHFFFAOYSA-N 1 0 487.600 4.511 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000057222974 569594973 /nfs/dbraw/zinc/59/49/73/569594973.db2.gz HKBXVAWQZXUXLE-UHFFFAOYSA-N 1 0 461.537 4.577 50 0 JJAARO CC[NH+]1CCN(c2ccc(N[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3)cc2)CC1 ZINC000008708379 569595081 /nfs/dbraw/zinc/59/50/81/569595081.db2.gz QVBGTIHEFYRXCA-MHZLTWQESA-N 1 0 458.606 4.937 50 0 JJAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(F)cc3)CC1)n2C ZINC000057264451 569595139 /nfs/dbraw/zinc/59/51/39/569595139.db2.gz XLVQHXADNZUDDB-UHFFFAOYSA-N 1 0 471.580 4.638 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000057264443 569595185 /nfs/dbraw/zinc/59/51/85/569595185.db2.gz HVZHLKGBKYLRPK-UHFFFAOYSA-N 1 0 491.998 4.983 50 0 JJAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000057312350 569596345 /nfs/dbraw/zinc/59/63/45/569596345.db2.gz VNMKUMKJCYJSLF-MRXNPFEDSA-N 1 0 452.352 4.991 50 0 JJAARO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OCc3ccccc3)c2)cc1 ZINC000008718511 569597101 /nfs/dbraw/zinc/59/71/01/569597101.db2.gz IMAKRLNKXHGNGL-UHFFFAOYSA-N 1 0 468.619 4.595 50 0 JJAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008727147 569601150 /nfs/dbraw/zinc/60/11/50/569601150.db2.gz YRKWIUHEKZSVPM-QFIPXVFZSA-N 1 0 463.603 4.886 50 0 JJAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983625 569606861 /nfs/dbraw/zinc/60/68/61/569606861.db2.gz ITGJPHGBIPGYQA-QQXSKIMKSA-N 1 0 487.987 4.890 50 0 JJAARO Cc1ccc([C@@H](CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)[NH+](C)C)cc1 ZINC000060155711 569608493 /nfs/dbraw/zinc/60/84/93/569608493.db2.gz IUPOQXYOURZRNX-HXUWFJFHSA-N 1 0 459.516 4.751 50 0 JJAARO Cc1ccc([C@H](CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)[NH+](C)C)cc1 ZINC000060155713 569608499 /nfs/dbraw/zinc/60/84/99/569608499.db2.gz IUPOQXYOURZRNX-FQEVSTJZSA-N 1 0 459.516 4.751 50 0 JJAARO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000062566720 569611176 /nfs/dbraw/zinc/61/11/76/569611176.db2.gz AMTWGMKSVJXGJZ-BKMJKUGQSA-N 1 0 491.657 4.809 50 0 JJAARO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000064820227 569636021 /nfs/dbraw/zinc/63/60/21/569636021.db2.gz BFCONDYKOCAKMC-UHFFFAOYSA-N 1 0 460.397 4.652 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000034145552 569639725 /nfs/dbraw/zinc/63/97/25/569639725.db2.gz JNKMSEDHGGNYIG-FHAGJXEFSA-N 1 0 468.041 4.849 50 0 JJAARO Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000034679830 569642723 /nfs/dbraw/zinc/64/27/23/569642723.db2.gz GLSUXDRKDRIYKJ-UHFFFAOYSA-N 1 0 455.602 4.597 50 0 JJAARO Cc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000034679788 569642727 /nfs/dbraw/zinc/64/27/27/569642727.db2.gz FLEMOOTYGRUFKE-UHFFFAOYSA-N 1 0 473.592 4.736 50 0 JJAARO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1)NCC[NH+]1CCCCC1 ZINC000034679988 569642900 /nfs/dbraw/zinc/64/29/00/569642900.db2.gz QKUAQHSKEWOWQW-UHFFFAOYSA-N 1 0 491.582 4.956 50 0 JJAARO Cc1ccc(C(=O)N2C[C@@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697671 569647558 /nfs/dbraw/zinc/64/75/58/569647558.db2.gz BIBQDEBNNDMLLW-LEAFIULHSA-N 1 0 457.593 4.812 50 0 JJAARO O=C(c1ccc(F)cc1)N1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698308 569647709 /nfs/dbraw/zinc/64/77/09/569647709.db2.gz IRHZXGMRPWLBJW-AJTFRIOCSA-N 1 0 479.546 4.782 50 0 JJAARO O=C(CC1CCCC1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034698379 569647801 /nfs/dbraw/zinc/64/78/01/569647801.db2.gz LNWPODKRODJBLZ-KCWPFWIISA-N 1 0 467.604 4.909 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)CC4CCCC4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698456 569647857 /nfs/dbraw/zinc/64/78/57/569647857.db2.gz NGGZOLVYOVXBIJ-CUBQBAPOSA-N 1 0 479.640 4.779 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1)Cc1ccccc1 ZINC000065023357 569649836 /nfs/dbraw/zinc/64/98/36/569649836.db2.gz RCTHWNDLMYKDRU-AREMUKBSSA-N 1 0 471.649 4.697 50 0 JJAARO COc1cc(-c2nc(C(=O)NCC[NH+](C)C)cs2)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000034712189 569651088 /nfs/dbraw/zinc/65/10/88/569651088.db2.gz NKDCPZXQYWLIQV-UHFFFAOYSA-N 1 0 479.524 4.708 50 0 JJAARO 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 569651882 /nfs/dbraw/zinc/65/18/82/569651882.db2.gz RAFFUFMWAUILHI-SGNDLWITSA-N 1 0 484.587 4.681 50 0 JJAARO CC[NH+]1CCN(CCNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCCC3)o2)CC1 ZINC000065036844 569653684 /nfs/dbraw/zinc/65/36/84/569653684.db2.gz FXKWVLQCUPSFQT-UHFFFAOYSA-N 1 0 489.664 4.991 50 0 JJAARO CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)c2cc(OC)ccc21 ZINC000065060022 569655225 /nfs/dbraw/zinc/65/52/25/569655225.db2.gz IGBMBEFLMQQTJM-UHFFFAOYSA-N 1 0 463.622 4.985 50 0 JJAARO CC[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)c4ccc(OC)cc4)cc32)CC1 ZINC000034790979 569660121 /nfs/dbraw/zinc/66/01/21/569660121.db2.gz XBUFNBHTBPPTIT-UHFFFAOYSA-N 1 0 456.546 4.769 50 0 JJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000034830526 569663911 /nfs/dbraw/zinc/66/39/11/569663911.db2.gz FIZHXPKOFMSLRV-CJAUYULYSA-N 1 0 497.661 4.659 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)CC(C)(C)C)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831299 569664145 /nfs/dbraw/zinc/66/41/45/569664145.db2.gz NVPLHSPBGDSASM-UHFFFAOYSA-N 1 0 457.638 4.635 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)NC3CCCCC3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831356 569664095 /nfs/dbraw/zinc/66/40/95/569664095.db2.gz DNUPXAXUQRLAGC-UHFFFAOYSA-N 1 0 466.674 4.575 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)Nc1cccc(F)c1 ZINC000034831354 569664227 /nfs/dbraw/zinc/66/42/27/569664227.db2.gz JWCVXTZDGRFROS-UHFFFAOYSA-N 1 0 464.589 4.516 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)CC(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034832137 569664420 /nfs/dbraw/zinc/66/44/20/569664420.db2.gz DVYJKFOOCWNVMX-UHFFFAOYSA-N 1 0 453.675 4.743 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)C(C)(C)C ZINC000034832052 569664460 /nfs/dbraw/zinc/66/44/60/569664460.db2.gz SRLXFRGAYMTPGE-LJQANCHMSA-N 1 0 457.638 4.635 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-c2ccccc2F)nc2cc(C(C)(C)C)nn21 ZINC000034833454 569664526 /nfs/dbraw/zinc/66/45/26/569664526.db2.gz XRIGNIHDMZHMHE-GOSISDBHSA-N 1 0 451.590 4.827 50 0 JJAARO O=C(NCC[NH+]1CCCCC1)c1cc(-c2ccccc2Cl)nc2cc(-c3ccccc3)nn21 ZINC000034833745 569664678 /nfs/dbraw/zinc/66/46/78/569664678.db2.gz ZJNRJCXHLICZPE-UHFFFAOYSA-N 1 0 459.981 4.932 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Cc1cccs1 ZINC000034834964 569665004 /nfs/dbraw/zinc/66/50/04/569665004.db2.gz HGOLOXPATWDVPL-OAQYLSRUSA-N 1 0 479.694 4.754 50 0 JJAARO CC[NH+]1CCN(c2c(CN(Cc3ccoc3)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835955 569665063 /nfs/dbraw/zinc/66/50/63/569665063.db2.gz JJIZWYCUEGQYMW-UHFFFAOYSA-N 1 0 453.606 4.713 50 0 JJAARO CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cc[nH+]cc4)c3C)C2=O)cc1 ZINC000034860827 569667796 /nfs/dbraw/zinc/66/77/96/569667796.db2.gz MOVYSICDYGGFQL-HMAPJEAMSA-N 1 0 476.558 4.563 50 0 JJAARO COc1cccc(Nc2nc(-c3ccc(Cl)cc3)ncc2C(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000034921891 569672620 /nfs/dbraw/zinc/67/26/20/569672620.db2.gz FUOZCOZSVWZOKV-FQEVSTJZSA-N 1 0 465.985 4.763 50 0 JJAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000065322248 569674729 /nfs/dbraw/zinc/67/47/29/569674729.db2.gz BEMUGVCJLJMZBG-UHFFFAOYSA-N 1 0 450.583 4.948 50 0 JJAARO COc1cc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2)ccc1OCc1c(C)noc1C ZINC000065551875 569675830 /nfs/dbraw/zinc/67/58/30/569675830.db2.gz UZKLKCCJHAAJND-UHFFFAOYSA-N 1 0 467.591 4.680 50 0 JJAARO COc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035372828 569683212 /nfs/dbraw/zinc/68/32/12/569683212.db2.gz MFZQGGDLGHGHCS-UHFFFAOYSA-N 1 0 471.026 4.652 50 0 JJAARO Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(F)cc1 ZINC000035372864 569683254 /nfs/dbraw/zinc/68/32/54/569683254.db2.gz UMBPVRBFOFIJHI-UHFFFAOYSA-N 1 0 458.990 4.783 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(C)cc1 ZINC000035372845 569683382 /nfs/dbraw/zinc/68/33/82/569683382.db2.gz WYESHUDXRCQBMJ-UHFFFAOYSA-N 1 0 471.026 4.652 50 0 JJAARO O=C(NCc1ccc(C[NH+]2CCC(OC(=O)c3cccc(F)c3)CC2)cc1)c1cccc(F)c1 ZINC000069927669 569693921 /nfs/dbraw/zinc/69/39/21/569693921.db2.gz OCUUJWWWUIMYNM-UHFFFAOYSA-N 1 0 464.512 4.716 50 0 JJAARO C[N@H+](Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCCCC1 ZINC000069930256 569693936 /nfs/dbraw/zinc/69/39/36/569693936.db2.gz JTNMSAQRKXPJKW-NRFANRHFSA-N 1 0 487.641 4.630 50 0 JJAARO Cc1ccccc1Cn1c(C[NH+]2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2ccccc21 ZINC000035451452 569696832 /nfs/dbraw/zinc/69/68/32/569696832.db2.gz OFIUFYNTDPLUOI-UHFFFAOYSA-N 1 0 487.644 4.576 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC(CC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000035454680 569697532 /nfs/dbraw/zinc/69/75/32/569697532.db2.gz GKDDWHVQUTWYIO-UHFFFAOYSA-N 1 0 482.694 4.661 50 0 JJAARO O=S(=O)(c1cccc(F)c1)c1cnc2cc(F)ccc2c1N1CCC([NH+]2CCCCC2)CC1 ZINC000071775296 569698145 /nfs/dbraw/zinc/69/81/45/569698145.db2.gz SUWFHOPOCBWMFA-UHFFFAOYSA-N 1 0 471.573 4.801 50 0 JJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559932 569704041 /nfs/dbraw/zinc/70/40/41/569704041.db2.gz UYANOPJMFZTZOH-UHFFFAOYSA-N 1 0 494.083 4.808 50 0 JJAARO O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000035562031 569704618 /nfs/dbraw/zinc/70/46/18/569704618.db2.gz GKSMRCHMIAZBGT-UHFFFAOYSA-N 1 0 493.051 4.628 50 0 JJAARO Cn1cc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c2cc(Cl)ccc21 ZINC000035562279 569704822 /nfs/dbraw/zinc/70/48/22/569704822.db2.gz FRVFLSRLOAHAPB-UHFFFAOYSA-N 1 0 469.004 4.532 50 0 JJAARO O=C1CSc2sc3c(ncn(C[C@H](c4ccccc4Cl)[NH+]4CCCCCC4)c3=O)c2N1 ZINC000035671338 569706147 /nfs/dbraw/zinc/70/61/47/569706147.db2.gz FNJYCIZTJGSBBY-MRXNPFEDSA-N 1 0 475.039 4.773 50 0 JJAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000084456259 569709125 /nfs/dbraw/zinc/70/91/25/569709125.db2.gz BKDLMTXRIITUQQ-QFIPXVFZSA-N 1 0 451.032 4.966 50 0 JJAARO COc1cc(Nc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc3occc32)cc(OC)c1OC ZINC000085651329 569713230 /nfs/dbraw/zinc/71/32/30/569713230.db2.gz MSHRJJKYEORJEE-UHFFFAOYSA-N 1 0 494.592 4.688 50 0 JJAARO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](C)O ZINC000035842615 569714217 /nfs/dbraw/zinc/71/42/17/569714217.db2.gz DFSJDMWZYTUEFP-HSZRJFAPSA-N 1 0 493.692 4.756 50 0 JJAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000035871398 569718568 /nfs/dbraw/zinc/71/85/68/569718568.db2.gz REIKCLCKTQUTHI-UNMCSNQZSA-N 1 0 463.931 4.501 50 0 JJAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871506 569718706 /nfs/dbraw/zinc/71/87/06/569718706.db2.gz KXICAUUNWVOIRH-ILBGXUMGSA-N 1 0 471.567 4.670 50 0 JJAARO CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871437 569718843 /nfs/dbraw/zinc/71/88/43/569718843.db2.gz QSOSOQCWOHHERG-JFJYTDJESA-N 1 0 463.519 4.622 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871760 569718879 /nfs/dbraw/zinc/71/88/79/569718879.db2.gz MERTWDHXFPMKRY-WIJPHRNOSA-N 1 0 473.592 4.575 50 0 JJAARO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)c1 ZINC000035871985 569719035 /nfs/dbraw/zinc/71/90/35/569719035.db2.gz YPEURFYYLXTQCU-LADGPHEKSA-N 1 0 473.539 4.958 50 0 JJAARO CCn1cc([C@H](CC(=O)NCC[NH+]2CCCCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872310 569719317 /nfs/dbraw/zinc/71/93/17/569719317.db2.gz HAQQGHHJCVGWFF-RUZDIDTESA-N 1 0 463.622 4.803 50 0 JJAARO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908049 569723609 /nfs/dbraw/zinc/72/36/09/569723609.db2.gz VJSJAAOSEDNDGH-LADGPHEKSA-N 1 0 477.546 4.870 50 0 JJAARO c1nn(-c2ccccc2)c2nc(Cc3ccccc3)nc(N3CCC[N@@H+](Cc4ccccn4)CC3)c12 ZINC000035925673 569729043 /nfs/dbraw/zinc/72/90/43/569729043.db2.gz IMMADLWJIGYKHL-UHFFFAOYSA-N 1 0 475.600 4.514 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000096523420 569740828 /nfs/dbraw/zinc/74/08/28/569740828.db2.gz VVFBDLAJJMOIBX-UHFFFAOYSA-N 1 0 467.617 4.935 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036316519 569763153 /nfs/dbraw/zinc/76/31/53/569763153.db2.gz GBDVKPKFFPLJHD-JOCHJYFZSA-N 1 0 455.574 4.976 50 0 JJAARO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000036344229 569766862 /nfs/dbraw/zinc/76/68/62/569766862.db2.gz PNKCHSXWLUQKDV-SBUREZEXSA-N 1 0 455.986 4.909 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036346613 569770448 /nfs/dbraw/zinc/77/04/48/569770448.db2.gz FWZPTXDDBYEBFN-NRFANRHFSA-N 1 0 459.537 4.861 50 0 JJAARO C[C@@H]([NH2+]Cc1ccccc1-c1ccc(CN2CCCC2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000036396652 569775136 /nfs/dbraw/zinc/77/51/36/569775136.db2.gz OPXHZZIJJOJXKM-OAQYLSRUSA-N 1 0 453.586 4.543 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)[NH+]2CCCC2)c1 ZINC000036674185 569779864 /nfs/dbraw/zinc/77/98/64/569779864.db2.gz PZPAGXCEKODFHC-VWLOTQADSA-N 1 0 490.600 4.858 50 0 JJAARO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000037210658 569781674 /nfs/dbraw/zinc/78/16/74/569781674.db2.gz PEFBEEUTZQVFCX-PGRDOPGGSA-N 1 0 465.619 4.857 50 0 JJAARO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037278307 569782321 /nfs/dbraw/zinc/78/23/21/569782321.db2.gz ZTBVSWRJRCMKLT-UHFFFAOYSA-N 1 0 468.548 4.650 50 0 JJAARO Cc1cccc(-c2nc(N3CCC([NH+]4CCCCC4)CC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037359891 569783907 /nfs/dbraw/zinc/78/39/07/569783907.db2.gz PBZBUSLRXSUYHI-UHFFFAOYSA-N 1 0 481.648 4.887 50 0 JJAARO CC[C@@H](C(=O)NCC[NH+](C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037438754 569790469 /nfs/dbraw/zinc/79/04/69/569790469.db2.gz FDDIUXTUCRPGGC-QFIPXVFZSA-N 1 0 456.587 4.552 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2cccs2)C1 ZINC000037443825 569791224 /nfs/dbraw/zinc/79/12/24/569791224.db2.gz VFOOVPBBHGNPRT-CJYOKPGZSA-N 1 0 492.689 4.602 50 0 JJAARO COc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)CC2)c1 ZINC000037572244 569795823 /nfs/dbraw/zinc/79/58/23/569795823.db2.gz PRFULSQCQXWXMG-UHFFFAOYSA-N 1 0 454.567 4.694 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1F ZINC000037587562 569796780 /nfs/dbraw/zinc/79/67/80/569796780.db2.gz MUAWZPDHFFRYQF-UHFFFAOYSA-N 1 0 468.367 4.617 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037588165 569796878 /nfs/dbraw/zinc/79/68/78/569796878.db2.gz WPNUUSDTHOTJAX-UHFFFAOYSA-N 1 0 494.613 4.592 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccsc1)Sc1ccccc1-2 ZINC000039358027 569809497 /nfs/dbraw/zinc/80/94/97/569809497.db2.gz CBMZHJDZUYEJHJ-YADARESESA-N 1 0 479.671 4.811 50 0 JJAARO CCCn1c(C[NH2+][C@H](c2ccc(CC)cc2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000039992453 569813405 /nfs/dbraw/zinc/81/34/05/569813405.db2.gz MPQILHVUSWNBNS-VWLOTQADSA-N 1 0 456.656 4.746 50 0 JJAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000040059529 569815238 /nfs/dbraw/zinc/81/52/38/569815238.db2.gz NOPHRONXYFZSRV-HSZRJFAPSA-N 1 0 461.631 4.645 50 0 JJAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000040115697 569816307 /nfs/dbraw/zinc/81/63/07/569816307.db2.gz YJQSMNUZENSABD-UHFFFAOYSA-N 1 0 481.593 4.530 50 0 JJAARO COc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c(OC)cc1NC(=O)c1ccccc1 ZINC000040157960 569821880 /nfs/dbraw/zinc/82/18/80/569821880.db2.gz LSPBYNVMDWECFI-UHFFFAOYSA-N 1 0 459.546 4.804 50 0 JJAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355777 569823975 /nfs/dbraw/zinc/82/39/75/569823975.db2.gz STMFPGBMSRWXLG-UHFFFAOYSA-N 1 0 477.417 4.906 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)[C@@H]1c1cccs1 ZINC000103727168 569837543 /nfs/dbraw/zinc/83/75/43/569837543.db2.gz LIGYPBGXMHTTCT-OPXMRZJTSA-N 1 0 467.679 4.923 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983959 569848451 /nfs/dbraw/zinc/84/84/51/569848451.db2.gz CNPGBJQSGNXOQF-IZZNHLLZSA-N 1 0 466.528 4.538 50 0 JJAARO COc1ccccc1[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000105042622 569851831 /nfs/dbraw/zinc/85/18/31/569851831.db2.gz WSLXXLUDWZREKZ-SHQCIBLASA-N 1 0 459.634 4.934 50 0 JJAARO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000052606399 569852415 /nfs/dbraw/zinc/85/24/15/569852415.db2.gz QALZMADIBPQZAZ-PXNSSMCTSA-N 1 0 462.541 4.842 50 0 JJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000105061415 569852717 /nfs/dbraw/zinc/85/27/17/569852717.db2.gz FIZHXPKOFMSLRV-IQGLISFBSA-N 1 0 497.661 4.659 50 0 JJAARO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)C(C)(C)C)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(Br)c1 ZINC000108522012 569859548 /nfs/dbraw/zinc/85/95/48/569859548.db2.gz KYEUWQRVZZOKSC-DXBBTUNJSA-N 1 0 493.401 4.888 50 0 JJAARO CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677693 569868848 /nfs/dbraw/zinc/86/88/48/569868848.db2.gz QSOSOQCWOHHERG-YTJPUZGESA-N 1 0 463.519 4.622 50 0 JJAARO CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169677695 569868851 /nfs/dbraw/zinc/86/88/51/569868851.db2.gz QSOSOQCWOHHERG-YROCYRMSSA-N 1 0 463.519 4.622 50 0 JJAARO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@@H](O)Cc1ccccc1 ZINC000169679028 569869414 /nfs/dbraw/zinc/86/94/14/569869414.db2.gz LYGLZGJXFZAWCO-ICSRJNTNSA-N 1 0 453.652 4.561 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@@H](O)COCc1ccco1 ZINC000169679102 569869477 /nfs/dbraw/zinc/86/94/77/569869477.db2.gz GXZSUAVRULGIQX-LADGPHEKSA-N 1 0 497.636 4.730 50 0 JJAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000169679493 569869694 /nfs/dbraw/zinc/86/96/94/569869694.db2.gz UEPLITUZENKSFC-RQTOMXEWSA-N 1 0 470.560 4.720 50 0 JJAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000169681581 569870827 /nfs/dbraw/zinc/87/08/27/569870827.db2.gz KSMMBAGXRONPML-RPLLCQBOSA-N 1 0 492.685 4.875 50 0 JJAARO C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000226313470 570037448 /nfs/dbraw/zinc/03/74/48/570037448.db2.gz YLEHMJUQHQEBPX-FRHSMZNCSA-N 1 0 486.741 4.694 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)n1 ZINC000229864227 570041634 /nfs/dbraw/zinc/04/16/34/570041634.db2.gz ICQZVIZKOBZAHP-JSHKVMGJSA-N 1 0 470.602 4.556 50 0 JJAARO O=C(C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247727228 570068961 /nfs/dbraw/zinc/06/89/61/570068961.db2.gz DJZUXWJSBLCUER-CLJLJLNGSA-N 1 0 476.642 4.699 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4cccc(C)c4)C3)nc3ccccc32)cc1 ZINC000247903054 570071043 /nfs/dbraw/zinc/07/10/43/570071043.db2.gz JAAKVDVILGRSSK-RUZDIDTESA-N 1 0 482.628 4.930 50 0 JJAARO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000247916710 570071181 /nfs/dbraw/zinc/07/11/81/570071181.db2.gz WKXYDWFOPBVHPC-NRFANRHFSA-N 1 0 472.564 4.702 50 0 JJAARO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247962547 570071672 /nfs/dbraw/zinc/07/16/72/570071672.db2.gz AGLFEHWQQAZKGK-KRWDZBQOSA-N 1 0 455.400 4.526 50 0 JJAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000247985828 570072150 /nfs/dbraw/zinc/07/21/50/570072150.db2.gz INVFYEJRKXCUNN-OAQYLSRUSA-N 1 0 480.056 4.831 50 0 JJAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)nc2ccccc21 ZINC000247992985 570072281 /nfs/dbraw/zinc/07/22/81/570072281.db2.gz LIFAAPZSWYHDRU-HXUWFJFHSA-N 1 0 498.046 4.971 50 0 JJAARO COc1ccc(-c2cc(C(=O)Nc3ccc(N4CC[N@@H+]5CCC[C@H]5C4)cc3)c3c(C)noc3n2)cc1 ZINC000248058336 570073445 /nfs/dbraw/zinc/07/34/45/570073445.db2.gz ZKRVJLLJHSEEJS-QFIPXVFZSA-N 1 0 483.572 4.744 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@@H](O)COCc1ccco1 ZINC000248073944 570073572 /nfs/dbraw/zinc/07/35/72/570073572.db2.gz GXZSUAVRULGIQX-ISKFKSNPSA-N 1 0 497.636 4.730 50 0 JJAARO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1 ZINC000248150672 570075471 /nfs/dbraw/zinc/07/54/71/570075471.db2.gz GZWBTDJMYVWTMZ-XMMPIXPASA-N 1 0 473.665 4.740 50 0 JJAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248277529 570077465 /nfs/dbraw/zinc/07/74/65/570077465.db2.gz ZFVYNTXHMMRZRZ-SFHVURJKSA-N 1 0 469.427 4.868 50 0 JJAARO CCOc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000248379885 570078358 /nfs/dbraw/zinc/07/83/58/570078358.db2.gz OGFUFAPTRXGLBA-IPVFLDMMSA-N 1 0 463.622 4.552 50 0 JJAARO Cc1ccccc1Cn1nc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261491685 570169863 /nfs/dbraw/zinc/16/98/63/570169863.db2.gz CNJBUNGOLPHDRB-UHFFFAOYSA-N 1 0 496.644 4.550 50 0 JJAARO Fc1cccc(Cl)c1Cn1nc(C[NH2+]CCc2nc3ccccc3[nH]2)c(-c2ccccc2)n1 ZINC000261492213 570169994 /nfs/dbraw/zinc/16/99/94/570169994.db2.gz VTACPVDZJTUVKR-UHFFFAOYSA-N 1 0 460.944 4.995 50 0 JJAARO COc1ccc(C[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)c(OC)c1 ZINC000299770863 570175760 /nfs/dbraw/zinc/17/57/60/570175760.db2.gz RRPBYTIXPVKYOB-NRFANRHFSA-N 1 0 473.617 4.953 50 0 JJAARO Cc1ccc(-c2nnc(N3CC[NH+](Cc4ccccc4)CC3)n2CCOc2ccccc2)s1 ZINC000408524864 570185653 /nfs/dbraw/zinc/18/56/53/570185653.db2.gz QNJVRBLRGARFBM-UHFFFAOYSA-N 1 0 459.619 4.716 50 0 JJAARO c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c12 ZINC000015130069 721918509 /nfs/dbraw/zinc/91/85/09/721918509.db2.gz BSYRIHKTVOCJSV-NRFANRHFSA-N 1 0 457.603 4.721 50 0 JJAARO O=S(=O)(c1ccccc1)N(C[C@@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000001888047 194152457 /nfs/dbraw/zinc/15/24/57/194152457.db2.gz JYEPVXUPCWRKDK-NDEPHWFRSA-N 1 0 486.637 4.945 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F ZINC000002946905 194176349 /nfs/dbraw/zinc/17/63/49/194176349.db2.gz ZVVARXDCHRKJJZ-SJORKVTESA-N 1 0 471.955 4.967 50 0 JJAARO COc1ccc([N+]2=C3CCc4ccccc4N3C[C@]2(O)c2ccc(Br)cc2)cc1 ZINC000003187801 194236492 /nfs/dbraw/zinc/23/64/92/194236492.db2.gz ZLXUSVORWHUUHH-DEOSSOPVSA-N 1 0 450.356 4.812 50 0 JJAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH2+]Cc3ccc4c(c3)OCO4)ccc2oc1-c1ccccc1 ZINC000003264843 194256276 /nfs/dbraw/zinc/25/62/76/194256276.db2.gz ISNLHWMBQVWFEU-FQEVSTJZSA-N 1 0 489.524 4.535 50 0 JJAARO C[NH+](C)[C@@H](CN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)c1cccs1 ZINC000003419136 194318130 /nfs/dbraw/zinc/31/81/30/194318130.db2.gz ZLUJSLQRWXAJBX-UKQGIEBLSA-N 1 0 451.979 4.822 50 0 JJAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[NH+]4CCCC4)cc3)C2=O)cc1 ZINC000003586868 194339643 /nfs/dbraw/zinc/33/96/43/194339643.db2.gz MQWLHSNHNRLXRK-VFCFBJKWSA-N 1 0 481.596 4.787 50 0 JJAARO O[C@@H](C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000003642090 194347466 /nfs/dbraw/zinc/34/74/66/194347466.db2.gz VXIGQWPVDNLYMN-VXKWHMMOSA-N 1 0 463.581 4.914 50 0 JJAARO CC[NH+](CC)C[C@H](C)CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000003645491 194348640 /nfs/dbraw/zinc/34/86/40/194348640.db2.gz MIKMUPHVZLSLDP-MRXNPFEDSA-N 1 0 478.033 4.826 50 0 JJAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757269 194394806 /nfs/dbraw/zinc/39/48/06/194394806.db2.gz PNBGFSAKWIEBAY-AHKZPQOWSA-N 1 0 483.628 4.947 50 0 JJAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000004757271 194394822 /nfs/dbraw/zinc/39/48/22/194394822.db2.gz PNBGFSAKWIEBAY-BDYUSTAISA-N 1 0 483.628 4.947 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433061 194778738 /nfs/dbraw/zinc/77/87/38/194778738.db2.gz URZNCFYXTKCGKL-RPWUZVMVSA-N 1 0 455.668 4.923 50 0 JJAARO CCOc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000009891854 195015430 /nfs/dbraw/zinc/01/54/30/195015430.db2.gz WKJDYFWIAGLDTE-UHFFFAOYSA-N 1 0 469.379 4.591 50 0 JJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc3c(Br)cccc23)CC1 ZINC000009907984 195018711 /nfs/dbraw/zinc/01/87/11/195018711.db2.gz VPJYDGOAJUCFCB-UHFFFAOYSA-N 1 0 496.405 4.783 50 0 JJAARO Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4ccccc4N4CC[NH+](C)CC4)cc3)ccc12 ZINC000012645730 195074179 /nfs/dbraw/zinc/07/41/79/195074179.db2.gz NUNCVSVIGSKSLC-UHFFFAOYSA-N 1 0 483.568 4.685 50 0 JJAARO Cc1occc1-c1nnc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000012733574 195099549 /nfs/dbraw/zinc/09/95/49/195099549.db2.gz ULIPZLFRXQXPRU-UHFFFAOYSA-N 1 0 487.629 4.709 50 0 JJAARO COc1cc(NC(=O)c2cccs2)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000012846257 195152326 /nfs/dbraw/zinc/15/23/26/195152326.db2.gz XBLCLJBIPSNRDM-UHFFFAOYSA-N 1 0 479.602 4.543 50 0 JJAARO O=C(CCc1cn(C[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCCCC1 ZINC000020650162 195195565 /nfs/dbraw/zinc/19/55/65/195195565.db2.gz NJBNVVDVVHSONV-UHFFFAOYSA-N 1 0 487.673 4.976 50 0 JJAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000020678195 195203035 /nfs/dbraw/zinc/20/30/35/195203035.db2.gz ULXZXMUPZPTEJL-UHFFFAOYSA-N 1 0 477.653 4.509 50 0 JJAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000020678039 195203073 /nfs/dbraw/zinc/20/30/73/195203073.db2.gz ZWVYJYKCYUYBTP-UHFFFAOYSA-N 1 0 484.442 4.599 50 0 JJAARO C[NH+](C)CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000020733822 195211428 /nfs/dbraw/zinc/21/14/28/195211428.db2.gz DSJCNXFCRBWQRC-UQQQWYQISA-N 1 0 475.976 4.598 50 0 JJAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(OC)cc1)S2 ZINC000020734112 195211838 /nfs/dbraw/zinc/21/18/38/195211838.db2.gz OUXVUGWNLHRMHM-XQNSMLJCSA-N 1 0 453.608 4.632 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)C1 ZINC000020902848 195242023 /nfs/dbraw/zinc/24/20/23/195242023.db2.gz VCEBYYHMPKPPLO-QLVXXPONSA-N 1 0 478.681 4.673 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCC[NH+]1CCCCCC1)C3=O ZINC000020902955 195242395 /nfs/dbraw/zinc/24/23/95/195242395.db2.gz PANGRDCSZKMQPE-LJAQVGFWSA-N 1 0 494.680 4.579 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CC[N@@H+]1CCCC[C@@H]1C)C3=O ZINC000020903219 195242855 /nfs/dbraw/zinc/24/28/55/195242855.db2.gz DFZWUBQPEXQPLL-KCWXNJEJSA-N 1 0 494.680 4.578 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000020904347 195244165 /nfs/dbraw/zinc/24/41/65/195244165.db2.gz FOCFZJIGBFDPMI-RRPNLBNLSA-N 1 0 487.669 4.859 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020904462 195244905 /nfs/dbraw/zinc/24/49/05/195244905.db2.gz XPBMPFYSONURIG-RPWUZVMVSA-N 1 0 451.636 4.574 50 0 JJAARO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000020906416 195245585 /nfs/dbraw/zinc/24/55/85/195245585.db2.gz QOLHAUPJNMDBOZ-QGZVFWFLSA-N 1 0 450.949 4.840 50 0 JJAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020864642 195234281 /nfs/dbraw/zinc/23/42/81/195234281.db2.gz MMJJFYWMFHPEQP-OAQYLSRUSA-N 1 0 474.630 4.610 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C2CC[NH2+]CC2)cc1C ZINC000020940888 195255295 /nfs/dbraw/zinc/25/52/95/195255295.db2.gz GXRNLLHMVGLJIZ-UHFFFAOYSA-N 1 0 478.040 4.572 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)CC1 ZINC000020942321 195256011 /nfs/dbraw/zinc/25/60/11/195256011.db2.gz VJPCPSYMBLRDMQ-UHFFFAOYSA-N 1 0 469.626 4.915 50 0 JJAARO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC1CC[NH+](CCc2cccs2)CC1 ZINC000020978842 195258888 /nfs/dbraw/zinc/25/88/88/195258888.db2.gz NINKRUZFTJPWAC-UHFFFAOYSA-N 1 0 473.664 4.507 50 0 JJAARO Fc1ccc([C@H](NCCC[NH+]2CCN(c3ccccc3)CC2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988547 195261480 /nfs/dbraw/zinc/26/14/80/195261480.db2.gz VAEJUFOBCVDPSS-SANMLTNESA-N 1 0 471.580 4.767 50 0 JJAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000021159762 195286766 /nfs/dbraw/zinc/28/67/66/195286766.db2.gz ZAJLLJTVLBFWON-UHFFFAOYSA-N 1 0 473.665 4.520 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CN3c4ccccc4Sc4ncccc4C3=O)CC2)cc1 ZINC000021163415 195288458 /nfs/dbraw/zinc/28/84/58/195288458.db2.gz CHQLMHDKICILMY-UHFFFAOYSA-N 1 0 486.641 4.530 50 0 JJAARO Fc1ccccc1[C@@H](NCCC[NH+]1CCN(c2ccccc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000021538376 195312493 /nfs/dbraw/zinc/31/24/93/195312493.db2.gz DSVIFJOZQGKPRI-AREMUKBSSA-N 1 0 471.580 4.767 50 0 JJAARO CCC[NH+](CCC)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021525997 195304762 /nfs/dbraw/zinc/30/47/62/195304762.db2.gz FWWPZXONHJJACF-SANMLTNESA-N 1 0 472.699 4.878 50 0 JJAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCC(C)CC2)N(CC[NH+](CC)CC)C3=O)s1 ZINC000021526092 195304860 /nfs/dbraw/zinc/30/48/60/195304860.db2.gz KYWIBCUOQIUMFK-LJLLCPEMSA-N 1 0 472.699 4.516 50 0 JJAARO CCCC[N@H+](CC)CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526695 195305075 /nfs/dbraw/zinc/30/50/75/195305075.db2.gz TVYVIMACPJLRHP-HHHXNRCGSA-N 1 0 470.658 4.800 50 0 JJAARO O=C(C[C@@H](c1cccs1)N1Cc2ccccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021530500 195308675 /nfs/dbraw/zinc/30/86/75/195308675.db2.gz ICQFAIZFNIOJPK-DEOSSOPVSA-N 1 0 459.615 4.616 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916287 195332263 /nfs/dbraw/zinc/33/22/63/195332263.db2.gz IFULMOHKPKLORK-UHFFFAOYSA-N 1 0 450.627 4.842 50 0 JJAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 ZINC000057563037 195350744 /nfs/dbraw/zinc/35/07/44/195350744.db2.gz ZDUIKERSVMIHNC-HXUWFJFHSA-N 1 0 453.764 4.799 50 0 JJAARO C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1=O ZINC000058160770 195368937 /nfs/dbraw/zinc/36/89/37/195368937.db2.gz JTIOCRCOJCVATL-OZXSUGGESA-N 1 0 482.628 4.557 50 0 JJAARO COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)cc1Cl ZINC000058165236 195369750 /nfs/dbraw/zinc/36/97/50/195369750.db2.gz BGVIDGXDHXZUCJ-XMMPIXPASA-N 1 0 451.954 4.556 50 0 JJAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)c1 ZINC000059410738 195399037 /nfs/dbraw/zinc/39/90/37/195399037.db2.gz UJIPMGQYUYGSPA-OYRHEFFESA-N 1 0 477.678 4.727 50 0 JJAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)c1cccc2ccccc21 ZINC000059404470 195399102 /nfs/dbraw/zinc/39/91/02/195399102.db2.gz IPYFGXUZPWHEAR-KRWDZBQOSA-N 1 0 465.981 4.727 50 0 JJAARO CN(C)S(=O)(=O)c1cccc(NC(=S)C2=C([NH+]3CCCCC3)/C(=C/c3ccncc3)CC2)c1 ZINC000105831795 195448035 /nfs/dbraw/zinc/44/80/35/195448035.db2.gz ZRYHFTGXEHAPES-LVZFUZTISA-N 1 0 482.675 4.689 50 0 JJAARO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+]2CCCC2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096276291 130013641 /nfs/dbraw/zinc/01/36/41/130013641.db2.gz QUEZCDVCOGNVCR-OAQYLSRUSA-N 1 0 455.986 4.573 50 0 JJAARO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000096343575 130074001 /nfs/dbraw/zinc/07/40/01/130074001.db2.gz PWZZUQJEROFAAU-HYBUGGRVSA-N 1 0 480.992 4.873 50 0 JJAARO CC(C)C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000014879532 519394689 /nfs/dbraw/zinc/39/46/89/519394689.db2.gz KFOILDGULDYFMK-QHCPKHFHSA-N 1 0 457.578 4.600 50 0 JJAARO CC(C)[NH+]1CCN(c2nc3nn(-c4ccccc4Cl)c(N)c3c(-c3ccc(Cl)cc3)n2)CC1 ZINC000037357740 519684609 /nfs/dbraw/zinc/68/46/09/519684609.db2.gz AYVJYNKGRGEMIG-UHFFFAOYSA-N 1 0 482.419 4.902 50 0 JJAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014748614 519719355 /nfs/dbraw/zinc/71/93/55/519719355.db2.gz BXKBCVZVOKEUML-UHFFFAOYSA-N 1 0 488.657 4.719 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307236 519771554 /nfs/dbraw/zinc/77/15/54/519771554.db2.gz ZOVBCGWOCXYJEF-ZCYQVOJMSA-N 1 0 497.611 4.785 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145995 519771590 /nfs/dbraw/zinc/77/15/90/519771590.db2.gz HQCFRKHXPZRMPJ-VXKWHMMOSA-N 1 0 451.394 4.775 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306830 519771777 /nfs/dbraw/zinc/77/17/77/519771777.db2.gz GGBVMSNYIDJUPB-GOTSBHOMSA-N 1 0 497.611 4.785 50 0 JJAARO CC(C)c1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000014885246 519830656 /nfs/dbraw/zinc/83/06/56/519830656.db2.gz RQUDRYUEUJXZBO-UHFFFAOYSA-N 1 0 476.600 4.682 50 0 JJAARO CC(C)c1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012218746 519830747 /nfs/dbraw/zinc/83/07/47/519830747.db2.gz ISYZDPJTCIGUMB-NRFANRHFSA-N 1 0 484.579 4.596 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cccc(Br)c4)c(C)c32)CC1 ZINC000033048471 519861023 /nfs/dbraw/zinc/86/10/23/519861023.db2.gz CNYFPRKPTJNZAN-UHFFFAOYSA-N 1 0 474.428 4.547 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146008 519881058 /nfs/dbraw/zinc/88/10/58/519881058.db2.gz BIGGIJGOPQQQFP-VXKWHMMOSA-N 1 0 479.404 4.693 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305019 520093023 /nfs/dbraw/zinc/09/30/23/520093023.db2.gz KSNQSFBPUKPBQQ-FQEVSTJZSA-N 1 0 455.986 4.895 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306910 520094017 /nfs/dbraw/zinc/09/40/17/520094017.db2.gz MIUQNNLHMCNJTO-NRFANRHFSA-N 1 0 453.558 4.628 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000036304132 520096361 /nfs/dbraw/zinc/09/63/61/520096361.db2.gz RIAMPGBEDWSVRO-NRFANRHFSA-N 1 0 459.537 4.859 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C ZINC000036306687 520154160 /nfs/dbraw/zinc/15/41/60/520154160.db2.gz ZKEAWRPXUYHGPJ-OAQYLSRUSA-N 1 0 455.574 4.874 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC(C)C ZINC000036304313 520155370 /nfs/dbraw/zinc/15/53/70/520155370.db2.gz VMNFQEKWOORIOC-HSZRJFAPSA-N 1 0 467.610 4.837 50 0 JJAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013636349 520542902 /nfs/dbraw/zinc/54/29/02/520542902.db2.gz BWYRPRZTCGCYPG-VWLOTQADSA-N 1 0 491.975 4.861 50 0 JJAARO CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1OC ZINC000022696234 520557928 /nfs/dbraw/zinc/55/79/28/520557928.db2.gz AOWAEJRCZRNETF-LEAFIULHSA-N 1 0 477.649 4.687 50 0 JJAARO CC[NH+](CC)CCCn1c(SCC(=O)N(C)Cc2ccc(Cl)s2)nc2ccccc2c1=O ZINC000023222456 520639320 /nfs/dbraw/zinc/63/93/20/520639320.db2.gz DYVUAKJWTCJPID-UHFFFAOYSA-N 1 0 493.098 4.594 50 0 JJAARO CC1=C(C(=O)Nc2ccc(Cc3ccncc3)cc2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868339 520803289 /nfs/dbraw/zinc/80/32/89/520803289.db2.gz MMFPGAMVSVETOG-UHFFFAOYSA-N 1 0 467.569 4.519 50 0 JJAARO CCOC(=O)N1CCC([N@@H+]2CCOc3c(cc(-c4cnc5ccccc5c4)cc3OC)C2)CC1 ZINC000012247107 520924358 /nfs/dbraw/zinc/92/43/58/520924358.db2.gz ODFCAHLKIGGWPV-UHFFFAOYSA-N 1 0 461.562 4.726 50 0 JJAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)N4CCc5ccccc54)c4ccccc34)o2)CC1 ZINC000033129366 521024541 /nfs/dbraw/zinc/02/45/41/521024541.db2.gz NFCWLYYKZJVCEI-UHFFFAOYSA-N 1 0 455.562 4.513 50 0 JJAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)N(C)Cc4ccccc4)c4ccccc34)o2)CC1 ZINC000033278792 521025119 /nfs/dbraw/zinc/02/51/19/521025119.db2.gz VIZOVYPSZCJMHH-UHFFFAOYSA-N 1 0 457.578 4.582 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)Cc4ccccc4)C3)sc2c1 ZINC000020383561 521303483 /nfs/dbraw/zinc/30/34/83/521303483.db2.gz BFYYHNUJKJFLEP-OAQYLSRUSA-N 1 0 466.651 4.550 50 0 JJAARO CCC[C@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000014883904 521313943 /nfs/dbraw/zinc/31/39/43/521313943.db2.gz CZRASEQMPRBNEZ-RUZDIDTESA-N 1 0 488.554 4.646 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc21 ZINC000006144606 521393738 /nfs/dbraw/zinc/39/37/38/521393738.db2.gz YEPHLCZVBLQZGX-QFIPXVFZSA-N 1 0 450.579 4.650 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CC[NH+](Cc4cc(C)ccc4C)CC3)c21 ZINC000008596018 521401859 /nfs/dbraw/zinc/40/18/59/521401859.db2.gz WLCWIWHWUDOTIH-UHFFFAOYSA-N 1 0 450.583 4.957 50 0 JJAARO CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000022655258 521446943 /nfs/dbraw/zinc/44/69/43/521446943.db2.gz PLOUZUIYBVZJEL-VQTJNVASSA-N 1 0 456.631 4.803 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C)cc2)c1 ZINC000016687771 521486185 /nfs/dbraw/zinc/48/61/85/521486185.db2.gz XOLYBTVUQSZYNB-UHFFFAOYSA-N 1 0 487.600 4.511 50 0 JJAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C1=O ZINC000014745392 521526515 /nfs/dbraw/zinc/52/65/15/521526515.db2.gz NWMXPMSKVPMAFK-UHFFFAOYSA-N 1 0 474.630 4.672 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000036309143 521535448 /nfs/dbraw/zinc/53/54/48/521535448.db2.gz LWOWHYDKQFPAKV-SQHAQQRYSA-N 1 0 492.685 4.877 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000036309617 521537861 /nfs/dbraw/zinc/53/78/61/521537861.db2.gz XBXRJYAQGONOTI-OZXSUGGESA-N 1 0 496.648 4.708 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000036309057 521537961 /nfs/dbraw/zinc/53/79/61/521537961.db2.gz FPSPMIXGABTZRW-BVAGGSTKSA-N 1 0 478.658 4.569 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000065008933 521658974 /nfs/dbraw/zinc/65/89/74/521658974.db2.gz WWILPDVXOZIDIT-SFHVURJKSA-N 1 0 479.071 4.540 50 0 JJAARO CC[NH+]1CCN(CCCNC(=O)c2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)CC1 ZINC000020466668 521681519 /nfs/dbraw/zinc/68/15/19/521681519.db2.gz KRVYQNSLTCLUAF-UHFFFAOYSA-N 1 0 457.043 4.730 50 0 JJAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2cccc(C(F)(F)F)c2)Cc2ccccc2Cl)n1 ZINC000036065306 521788304 /nfs/dbraw/zinc/78/83/04/521788304.db2.gz XCFYAUZUDGMOJO-UHFFFAOYSA-N 1 0 494.945 4.841 50 0 JJAARO COc1cc(OC)c(NC(=O)CCc2nc(C3=CC[N@H+](Cc4cccc(C)c4)CC3)no2)cc1Cl ZINC000033069243 522798109 /nfs/dbraw/zinc/79/81/09/522798109.db2.gz VMPAURLDPJPUSN-UHFFFAOYSA-N 1 0 496.995 4.909 50 0 JJAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014950665 522821997 /nfs/dbraw/zinc/82/19/97/522821997.db2.gz XTICVTBMZRLQIJ-IBGZPJMESA-N 1 0 468.623 4.513 50 0 JJAARO COc1cc2c(cc1Br)n(C)c(CSc1ccccc1)c2C(=O)OCC[NH+](C)C ZINC000012427997 522995185 /nfs/dbraw/zinc/99/51/85/522995185.db2.gz VWMZSHYIDHOICF-UHFFFAOYSA-N 1 0 477.424 4.960 50 0 JJAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CO4)cc1 ZINC000043746994 523119663 /nfs/dbraw/zinc/11/96/63/523119663.db2.gz DUNRUTJASQTNJK-OFVILXPXSA-N 1 0 460.574 4.885 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@@H+]5CCCC[C@@H]35)CO4)c2=O)cc1 ZINC000043746970 523158027 /nfs/dbraw/zinc/15/80/27/523158027.db2.gz XPTWAYCLCYQFRO-CPJSRVTESA-N 1 0 460.574 4.885 50 0 JJAARO COc1ccc(-c2csc3[nH]c(C[N@H+](C[C@H](O)COCC(C)C)C4CCCCC4)nc(=O)c23)cc1 ZINC000036206305 523173812 /nfs/dbraw/zinc/17/38/12/523173812.db2.gz UZXHUALKYXWKRU-NRFANRHFSA-N 1 0 499.677 4.828 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000016599513 523242284 /nfs/dbraw/zinc/24/22/84/523242284.db2.gz PXYWVCVGPDXMSM-DEOSSOPVSA-N 1 0 470.573 4.589 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)COC(C)C ZINC000036246124 523262543 /nfs/dbraw/zinc/26/25/43/523262543.db2.gz FYMJBCKRZYAQMK-SANMLTNESA-N 1 0 493.648 4.529 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@@H](O)COC(C)C ZINC000036246123 523264961 /nfs/dbraw/zinc/26/49/61/523264961.db2.gz FYMJBCKRZYAQMK-AREMUKBSSA-N 1 0 493.648 4.529 50 0 JJAARO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000012520375 523267309 /nfs/dbraw/zinc/26/73/09/523267309.db2.gz SWSIOVKYVPSAQN-KRWDZBQOSA-N 1 0 461.031 4.735 50 0 JJAARO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccco3)CC2)c1)Cc1cccc2ccccc21 ZINC000012278696 523316303 /nfs/dbraw/zinc/31/63/03/523316303.db2.gz PZIXSVRHSPAAJP-UHFFFAOYSA-N 1 0 483.612 4.902 50 0 JJAARO C[N@H+](Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000014882142 523483340 /nfs/dbraw/zinc/48/33/40/523483340.db2.gz FOLLTDVIHXPQLS-UHFFFAOYSA-N 1 0 456.633 4.612 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)c1C ZINC000014749637 523640797 /nfs/dbraw/zinc/64/07/97/523640797.db2.gz NXNNAKBYELCDNG-UHFFFAOYSA-N 1 0 499.659 4.562 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036306028 523734432 /nfs/dbraw/zinc/73/44/32/523734432.db2.gz XWOGRYPRKUYWSS-QFIPXVFZSA-N 1 0 497.636 4.512 50 0 JJAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[NH+]2CCCCC2)C3=O)s1 ZINC000021810069 523846653 /nfs/dbraw/zinc/84/66/53/523846653.db2.gz NXDBYTKCMQDCQX-HHHXNRCGSA-N 1 0 484.710 4.805 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)C2)s1 ZINC000033078453 523848873 /nfs/dbraw/zinc/84/88/73/523848873.db2.gz FFFQIHQMVXOLIV-HSZRJFAPSA-N 1 0 491.705 4.807 50 0 JJAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1 ZINC000004142919 523859322 /nfs/dbraw/zinc/85/93/22/523859322.db2.gz TXASOBSTKPCXCN-XMMPIXPASA-N 1 0 491.632 4.801 50 0 JJAARO CCc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)NCCc4ccc(OC)c(OC)c4)C3)c(C)o2)cc1 ZINC000004142910 523860068 /nfs/dbraw/zinc/86/00/68/523860068.db2.gz TXASOBSTKPCXCN-DEOSSOPVSA-N 1 0 491.632 4.801 50 0 JJAARO C[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCc4ccco4)c3)n2)CC1 ZINC000036038709 523921274 /nfs/dbraw/zinc/92/12/74/523921274.db2.gz GMPFPGQOBYELDI-UHFFFAOYSA-N 1 0 499.640 4.711 50 0 JJAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)o1 ZINC000014958644 523929724 /nfs/dbraw/zinc/92/97/24/523929724.db2.gz OXXHSNUIGFOIFI-DEOSSOPVSA-N 1 0 463.626 4.626 50 0 JJAARO CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000014987739 523957192 /nfs/dbraw/zinc/95/71/92/523957192.db2.gz GMUKFTJMNIHTKQ-HHHXNRCGSA-N 1 0 496.648 4.854 50 0 JJAARO COc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)cc1OC ZINC000014882949 523973717 /nfs/dbraw/zinc/97/37/17/523973717.db2.gz NFHUFBAHIMXXHQ-QFIPXVFZSA-N 1 0 487.644 4.996 50 0 JJAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](Cc1nc(-c3cccs3)oc1C)CC2 ZINC000014996753 524022741 /nfs/dbraw/zinc/02/27/41/524022741.db2.gz NMJXSERKTWTRPL-RPWUZVMVSA-N 1 0 497.686 4.794 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3CCc2ccccc2)cc1 ZINC000014750598 524025605 /nfs/dbraw/zinc/02/56/05/524025605.db2.gz DQEZIBFQPLQGSY-UHFFFAOYSA-N 1 0 483.612 4.737 50 0 JJAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc1OC ZINC000014886688 524025810 /nfs/dbraw/zinc/02/58/10/524025810.db2.gz OLQRBYSUFSETIV-XMMPIXPASA-N 1 0 462.634 4.934 50 0 JJAARO C[C@H](C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccccc2F)C3=O)CC1)c1ccccc1 ZINC000012217598 524346118 /nfs/dbraw/zinc/34/61/18/524346118.db2.gz PJXXROGNKODJOL-HXUWFJFHSA-N 1 0 457.549 4.548 50 0 JJAARO Cc1cccc(C[NH+]2CCC(c3nnc(SCc4ccc(F)cc4)n3C[C@@H]3CCCO3)CC2)n1 ZINC000012456550 524390700 /nfs/dbraw/zinc/39/07/00/524390700.db2.gz RVGQDKYSWDTFFA-DEOSSOPVSA-N 1 0 481.641 4.972 50 0 JJAARO COc1ccccc1C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)Cc1cccs1)[C@@H]2OC ZINC000014889034 524449210 /nfs/dbraw/zinc/44/92/10/524449210.db2.gz LDXQYMJUDYAKJV-SXOMAYOGSA-N 1 0 476.642 4.719 50 0 JJAARO C[C@H](CNC(=O)c1cn2ccccc2n1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000012246622 524475052 /nfs/dbraw/zinc/47/50/52/524475052.db2.gz HSZSMVIYBLSWTD-JOCHJYFZSA-N 1 0 468.601 4.911 50 0 JJAARO COc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129354 524531128 /nfs/dbraw/zinc/53/11/28/524531128.db2.gz YOFCXXHGRWMTTG-UHFFFAOYSA-N 1 0 459.550 4.571 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3sc4ncccc4c3-n3cccc3)C[C@@H]2C)c1 ZINC000008610846 524555952 /nfs/dbraw/zinc/55/59/52/524555952.db2.gz DWZLFMLFRFUUHZ-NRFANRHFSA-N 1 0 473.646 4.726 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301986 524694834 /nfs/dbraw/zinc/69/48/34/524694834.db2.gz QKRGENKECUPXEP-HSZRJFAPSA-N 1 0 467.610 4.978 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)C)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302277 524696193 /nfs/dbraw/zinc/69/61/93/524696193.db2.gz ACKLKDJIRUZXPG-DEOSSOPVSA-N 1 0 479.621 4.980 50 0 JJAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCC[C@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000014991272 525568753 /nfs/dbraw/zinc/56/87/53/525568753.db2.gz VBPXCVHWHAIKRX-DVECYGJZSA-N 1 0 466.553 4.739 50 0 JJAARO Cc1ccc(Sc2ccc(N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)nn2)cc1 ZINC000045921350 525671113 /nfs/dbraw/zinc/67/11/13/525671113.db2.gz DWQKZWBLUZWZKU-UHFFFAOYSA-N 1 0 479.694 4.630 50 0 JJAARO Cc1cc2nc(N3CCC[N@H+](Cc4ccc(Oc5ncccn5)cc4)CC3)nc(C)c2cc1C ZINC000012449934 525676723 /nfs/dbraw/zinc/67/67/23/525676723.db2.gz HFUOXFANOOFOJM-UHFFFAOYSA-N 1 0 454.578 4.850 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(C)o3)CC2)c1 ZINC000014977266 525748705 /nfs/dbraw/zinc/74/87/05/525748705.db2.gz LXIYLHAVFHVZLJ-HSZRJFAPSA-N 1 0 468.623 4.828 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146705 525924800 /nfs/dbraw/zinc/92/48/00/525924800.db2.gz RKFUDVIFDIWMRZ-JYFHCDHNSA-N 1 0 480.992 4.784 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146330 525925162 /nfs/dbraw/zinc/92/51/62/525925162.db2.gz FAXDELZOWUIHHJ-BDYUSTAISA-N 1 0 495.019 4.922 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146864 525925519 /nfs/dbraw/zinc/92/55/19/525925519.db2.gz XNFRTBQDIRKQFD-AHWVRZQESA-N 1 0 478.564 4.578 50 0 JJAARO Cc1cc(-c2ccnc(-n3ncc(C(=O)N[C@H]4CC[N@H+](Cc5ccccc5)C4)c3C3CC3)n2)c(C)s1 ZINC000012245876 526043699 /nfs/dbraw/zinc/04/36/99/526043699.db2.gz FJEJSMDICHPGQX-QFIPXVFZSA-N 1 0 498.656 4.889 50 0 JJAARO CSc1ccccc1C(=O)NCc1nc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+](C)C3)c2)oc1C ZINC000012245003 526151709 /nfs/dbraw/zinc/15/17/09/526151709.db2.gz UFARZPXSSMNQDK-LJQANCHMSA-N 1 0 478.618 4.582 50 0 JJAARO COc1cccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c1 ZINC000033129353 526183935 /nfs/dbraw/zinc/18/39/35/526183935.db2.gz RBFPFVRWGVEESU-UHFFFAOYSA-N 1 0 459.550 4.571 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COCC(C)C)C3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305490 526240873 /nfs/dbraw/zinc/24/08/73/526240873.db2.gz PVLOCBQVRAPRLI-QHCPKHFHSA-N 1 0 479.621 4.886 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305414 526241510 /nfs/dbraw/zinc/24/15/10/526241510.db2.gz CCYOYNBSWSKCQG-QFIPXVFZSA-N 1 0 467.610 4.884 50 0 JJAARO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)C3)nc2c1 ZINC000033072150 526252385 /nfs/dbraw/zinc/25/23/85/526252385.db2.gz QAKOYEKCTQJXAV-VWLOTQADSA-N 1 0 473.665 4.549 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249831 526286293 /nfs/dbraw/zinc/28/62/93/526286293.db2.gz PZUGPPBJVZHGGH-VWLOTQADSA-N 1 0 461.606 4.874 50 0 JJAARO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146529 526291299 /nfs/dbraw/zinc/29/12/99/526291299.db2.gz XOYBHBJCMBJACM-UKILVPOCSA-N 1 0 450.966 4.775 50 0 JJAARO O=C(C1CCCCC1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912372 526298354 /nfs/dbraw/zinc/29/83/54/526298354.db2.gz WYGQQLUHLRFIRN-UHFFFAOYSA-N 1 0 479.709 4.751 50 0 JJAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000014882467 526503097 /nfs/dbraw/zinc/50/30/97/526503097.db2.gz VMEJGNGJYWFJFP-SANMLTNESA-N 1 0 459.565 4.831 50 0 JJAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000065006813 526602729 /nfs/dbraw/zinc/60/27/29/526602729.db2.gz KCKJVNOHODNQKD-FQEVSTJZSA-N 1 0 496.721 4.988 50 0 JJAARO O=C(c1ccccc1)N1CCC[C@H](c2cccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000033035002 526792579 /nfs/dbraw/zinc/79/25/79/526792579.db2.gz RBPLSCTWVRGKBX-SANMLTNESA-N 1 0 459.634 4.797 50 0 JJAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000022790716 527018072 /nfs/dbraw/zinc/01/80/72/527018072.db2.gz UVSZNZCOBJRENH-MUUNZHRXSA-N 1 0 475.592 4.879 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](Cc3ccc4c(c3)CCO4)CC2)N1CCc1ccccc1 ZINC000014752830 527038193 /nfs/dbraw/zinc/03/81/93/527038193.db2.gz KXCMDQHPZYBBAQ-UHFFFAOYSA-N 1 0 495.623 4.663 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C4)cs1 ZINC000014988260 527069585 /nfs/dbraw/zinc/06/95/85/527069585.db2.gz FINUADFHLJLHCB-SWLSCSKDSA-N 1 0 472.586 4.758 50 0 JJAARO O=C1c2cccc(N3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000014984320 527125764 /nfs/dbraw/zinc/12/57/64/527125764.db2.gz UDFDZGRZLNYEFH-QHCPKHFHSA-N 1 0 486.015 4.816 50 0 JJAARO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000012421505 527178906 /nfs/dbraw/zinc/17/89/06/527178906.db2.gz UKJQQSCTCWJLPG-NRFANRHFSA-N 1 0 462.981 4.659 50 0 JJAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CCC([NH+]3CCCCC3)CC1)nc2-c1cccc(F)c1 ZINC000037361109 527438239 /nfs/dbraw/zinc/43/82/39/527438239.db2.gz JERONKFVCVEASE-UHFFFAOYSA-N 1 0 485.611 4.718 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000020109994 527457076 /nfs/dbraw/zinc/45/70/76/527457076.db2.gz NIQQYPFLVJDPTL-QGZVFWFLSA-N 1 0 470.520 4.567 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC[C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)c12 ZINC000020516812 527523486 /nfs/dbraw/zinc/52/34/86/527523486.db2.gz LMJGRIFFJHNXTC-XMMPIXPASA-N 1 0 467.617 4.906 50 0 JJAARO Cn1nc(C(=O)NCCC[N@H+](Cc2ccco2)C2CCCC2)c2c1-c1ccccc1SC2 ZINC000020485287 527543319 /nfs/dbraw/zinc/54/33/19/527543319.db2.gz SEWCVDZECACTFE-UHFFFAOYSA-N 1 0 450.608 4.851 50 0 JJAARO O=C(NCCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1sc2ncccc2c1-n1cccc1 ZINC000033267649 527657275 /nfs/dbraw/zinc/65/72/75/527657275.db2.gz OTMUACOTMVJKAK-LJQANCHMSA-N 1 0 480.659 4.950 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1Br ZINC000000682321 553754452 /nfs/dbraw/zinc/75/44/52/553754452.db2.gz NFOHITSNSUABAS-UHFFFAOYSA-N 1 0 452.190 4.606 50 0 JJAARO COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000002201996 554091298 /nfs/dbraw/zinc/09/12/98/554091298.db2.gz MWPDSDDFEAWXEZ-KAYWLYCHSA-N 1 0 482.540 4.825 50 0 JJAARO CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(NCC[NH+]3CCCCC3)c2cc1OC ZINC000002218266 554099324 /nfs/dbraw/zinc/09/93/24/554099324.db2.gz CFSJGWYTDVXXCJ-UHFFFAOYSA-N 1 0 466.582 4.619 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002300041 554139019 /nfs/dbraw/zinc/13/90/19/554139019.db2.gz CQXQWVPQGZEITP-GXTWGEPZSA-N 1 0 463.957 4.720 50 0 JJAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002312250 554144076 /nfs/dbraw/zinc/14/40/76/554144076.db2.gz ZVQRTCLYWSBZKM-MRXNPFEDSA-N 1 0 498.421 4.999 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000002890263 554408726 /nfs/dbraw/zinc/40/87/26/554408726.db2.gz MRZRCRFQJOQYGX-QFIPXVFZSA-N 1 0 499.405 4.841 50 0 JJAARO COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H]([NH2+]CCCCCCN4C(=O)C=CC4=O)[C@@]3(C)CC[C@H]21 ZINC000003778899 554470862 /nfs/dbraw/zinc/47/08/62/554470862.db2.gz LUFAORPFSVMJIW-ZRJUGLEFSA-N 1 0 464.650 4.995 50 0 in-vitro JJAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)C[NH2+]Cc3ccccc3)cc21 ZINC000008397033 554571987 /nfs/dbraw/zinc/57/19/87/554571987.db2.gz JYDFCPKCKYZYRH-XMMPIXPASA-N 1 0 472.585 4.704 50 0 JJAARO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000008813300 554695673 /nfs/dbraw/zinc/69/56/73/554695673.db2.gz RTCICZVWOCFCPS-UHFFFAOYSA-N 1 0 493.673 4.504 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)C1 ZINC000008912808 554803514 /nfs/dbraw/zinc/80/35/14/554803514.db2.gz RJDARHZKIIQTHN-QZTJIDSGSA-N 1 0 483.657 4.684 50 0 JJAARO CC[NH+](CC)CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000008926217 554822486 /nfs/dbraw/zinc/82/24/86/554822486.db2.gz JNFXKNJYLVEBET-UHFFFAOYSA-N 1 0 498.712 4.923 50 0 JJAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000009043588 554869751 /nfs/dbraw/zinc/86/97/51/554869751.db2.gz BTUAWDPXPNUBQU-FQEVSTJZSA-N 1 0 484.394 4.922 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)[NH+]2CCCC2)cc1 ZINC000009112718 554900201 /nfs/dbraw/zinc/90/02/01/554900201.db2.gz LWTCMAPTIQWYOL-VWLOTQADSA-N 1 0 468.557 4.979 50 0 JJAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 ZINC000009136406 554932671 /nfs/dbraw/zinc/93/26/71/554932671.db2.gz OZOAWEGAMINUIU-DEOSSOPVSA-N 1 0 453.542 4.951 50 0 JJAARO CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000009151180 554937374 /nfs/dbraw/zinc/93/73/74/554937374.db2.gz MMRCFMWCXUKMJK-UHFFFAOYSA-N 1 0 469.457 4.960 50 0 JJAARO C[NH+](C)CCCN(C(=O)c1ccc(Br)cc1)c1nc2c(cc(F)cc2F)s1 ZINC000009151939 554939247 /nfs/dbraw/zinc/93/92/47/554939247.db2.gz FKTOORDISNVVEB-UHFFFAOYSA-N 1 0 454.340 4.936 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227256 555000073 /nfs/dbraw/zinc/00/00/73/555000073.db2.gz RRDNPTFHGUPXQG-UHFFFAOYSA-N 1 0 475.376 4.916 50 0 JJAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000009233849 555007140 /nfs/dbraw/zinc/00/71/40/555007140.db2.gz XDXHKFHNXZOTLT-JOCHJYFZSA-N 1 0 458.400 4.867 50 0 JJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)c5ccccc5C)ccc4n3C)CC2)cc1 ZINC000009243064 555018019 /nfs/dbraw/zinc/01/80/19/555018019.db2.gz YYVKXUJFBVDPER-UHFFFAOYSA-N 1 0 467.617 4.807 50 0 JJAARO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000009251624 555026071 /nfs/dbraw/zinc/02/60/71/555026071.db2.gz PNSXRVBGWODYOE-UHFFFAOYSA-N 1 0 488.035 4.887 50 0 JJAARO C[C@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265097 555040586 /nfs/dbraw/zinc/04/05/86/555040586.db2.gz YFXYVSMELLLBQH-FQEVSTJZSA-N 1 0 475.589 4.929 50 0 JJAARO COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265346 555041028 /nfs/dbraw/zinc/04/10/28/555041028.db2.gz ZFAXIJNEHJONAE-UHFFFAOYSA-N 1 0 461.562 4.784 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)CC1 ZINC000009265302 555041074 /nfs/dbraw/zinc/04/10/74/555041074.db2.gz QKJHNOWFUWFGRX-UHFFFAOYSA-N 1 0 491.632 4.885 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)CC1 ZINC000009265228 555041099 /nfs/dbraw/zinc/04/10/99/555041099.db2.gz OMXJFUOCLDBLMA-UHFFFAOYSA-N 1 0 495.595 4.716 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1 ZINC000009265450 555041313 /nfs/dbraw/zinc/04/13/13/555041313.db2.gz RVCWRSDNKLHNDC-UHFFFAOYSA-N 1 0 463.578 4.648 50 0 JJAARO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000009345237 555110884 /nfs/dbraw/zinc/11/08/84/555110884.db2.gz LPVGFJHDJXLRJL-LOSJGSFVSA-N 1 0 450.498 4.586 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(OCc3cscn3)cc2)[NH+]2CCCCC2)cc1 ZINC000009376090 555136711 /nfs/dbraw/zinc/13/67/11/555136711.db2.gz SGEOHRUJRGXTGU-XMMPIXPASA-N 1 0 451.592 4.688 50 0 JJAARO C[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009378851 555140741 /nfs/dbraw/zinc/14/07/41/555140741.db2.gz AFFQVJARVUBEQL-WZONZLPQSA-N 1 0 470.573 4.711 50 0 JJAARO CC[C@H](C)[N@H+](CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)Cc1ccco1 ZINC000009405708 555165058 /nfs/dbraw/zinc/16/50/58/555165058.db2.gz ZEBWYIPWEMOMJO-KRWDZBQOSA-N 1 0 470.639 4.506 50 0 JJAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c(C)c12 ZINC000009407813 555169430 /nfs/dbraw/zinc/16/94/30/555169430.db2.gz RBAJUDAAIPDVSK-QFIPXVFZSA-N 1 0 459.638 4.659 50 0 JJAARO O=c1oc2c(cc(Cl)c3c2CN(C2CC[NH+](Cc4ccccc4)CC2)CO3)c2c1CCC2 ZINC000009410293 555176432 /nfs/dbraw/zinc/17/64/32/555176432.db2.gz DGCAUWAAUHSAIY-UHFFFAOYSA-N 1 0 450.966 4.752 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433060 555202822 /nfs/dbraw/zinc/20/28/22/555202822.db2.gz URZNCFYXTKCGKL-BJKOFHAPSA-N 1 0 455.668 4.923 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H]1c1cccs1 ZINC000009433051 555202828 /nfs/dbraw/zinc/20/28/28/555202828.db2.gz IATKEGZGLZECIE-RPBOFIJWSA-N 1 0 467.679 4.923 50 0 JJAARO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c(C)c1 ZINC000009434024 555204720 /nfs/dbraw/zinc/20/47/20/555204720.db2.gz BCWYEJITGQZWRG-DEOSSOPVSA-N 1 0 486.612 4.513 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cccnc2SCc2cc(C)on2)[NH+]2CCCCC2)cc1 ZINC000009459845 555227451 /nfs/dbraw/zinc/22/74/51/555227451.db2.gz HPBYMVVWKZRKHR-HSZRJFAPSA-N 1 0 466.607 4.636 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cc2c(s1)-c1ccsc1CC2 ZINC000009527211 555320810 /nfs/dbraw/zinc/32/08/10/555320810.db2.gz NHOVGDRQGBSZBA-UHFFFAOYSA-N 1 0 455.624 4.656 50 0 JJAARO C[C@@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)[NH+]1CCCCCC1 ZINC000009560315 555356501 /nfs/dbraw/zinc/35/65/01/555356501.db2.gz PBTMIABCYNCYKX-FQEVSTJZSA-N 1 0 460.574 4.916 50 0 JJAARO Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cc1 ZINC000013165152 555368209 /nfs/dbraw/zinc/36/82/09/555368209.db2.gz GONUJCDBVPYEFK-DEOSSOPVSA-N 1 0 461.562 4.588 50 0 JJAARO CC1CC[NH+](CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000009674063 555398606 /nfs/dbraw/zinc/39/86/06/555398606.db2.gz NFFSIZLAHCADNK-UHFFFAOYSA-N 1 0 462.638 4.850 50 0 JJAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)c3ccccc3n2)c(OC)c1 ZINC000009680649 555408534 /nfs/dbraw/zinc/40/85/34/555408534.db2.gz QFCQPERDBCASMY-UHFFFAOYSA-N 1 0 462.594 4.847 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)C1 ZINC000013497078 555412560 /nfs/dbraw/zinc/41/25/60/555412560.db2.gz RJDARHZKIIQTHN-HDICACEKSA-N 1 0 483.657 4.684 50 0 JJAARO CC[NH+](CC)CCCn1c2c(c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc1=O)CCC2 ZINC000009746241 555478231 /nfs/dbraw/zinc/47/82/31/555478231.db2.gz NYYBEAUYOBTDDI-UHFFFAOYSA-N 1 0 483.465 4.502 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc3c(c2C(F)(F)F)CCc2ccccc2-3)c1Cl ZINC000009780052 555499473 /nfs/dbraw/zinc/49/94/73/555499473.db2.gz VABXDEODSUHMLU-UHFFFAOYSA-N 1 0 479.934 4.629 50 0 JJAARO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC[N@H+](C)Cc2ccccc2)c1C ZINC000009830258 555529392 /nfs/dbraw/zinc/52/93/92/555529392.db2.gz DQJJDJBQBHJMNH-UHFFFAOYSA-N 1 0 461.606 4.587 50 0 JJAARO COc1ccccc1OCC(=O)NCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000013597686 555529500 /nfs/dbraw/zinc/52/95/00/555529500.db2.gz ORNULXWZFCKBPS-UHFFFAOYSA-N 1 0 466.581 4.772 50 0 JJAARO COc1cc2nc(NCCC[NH+]3CCCCCC3)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831144 555532894 /nfs/dbraw/zinc/53/28/94/555532894.db2.gz WBDHFTWRZGHLEV-UHFFFAOYSA-N 1 0 460.582 4.640 50 0 JJAARO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2n1 ZINC000009972249 555571607 /nfs/dbraw/zinc/57/16/07/555571607.db2.gz VGDAQBDEZHYPBP-OXJNMPFZSA-N 1 0 470.520 4.764 50 0 JJAARO Cc1cccc(Cc2c(C)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)c1 ZINC000019991310 555576679 /nfs/dbraw/zinc/57/66/79/555576679.db2.gz QDKMAKDPFOZUIR-UHFFFAOYSA-N 1 0 464.613 4.889 50 0 JJAARO Cc1ccc(Cc2c(C)nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)cc1 ZINC000013858084 555636105 /nfs/dbraw/zinc/63/61/05/555636105.db2.gz XCKQQSPCTKJPIE-UHFFFAOYSA-N 1 0 464.613 4.889 50 0 JJAARO CCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104172 555636246 /nfs/dbraw/zinc/63/62/46/555636246.db2.gz SRFRGBIIRYDEIG-VSGBNLITSA-N 1 0 489.660 4.863 50 0 JJAARO CCC[NH+]1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104176 555636268 /nfs/dbraw/zinc/63/62/68/555636268.db2.gz SRFRGBIIRYDEIG-IZLXSDGUSA-N 1 0 489.660 4.863 50 0 JJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 ZINC000020114362 555652124 /nfs/dbraw/zinc/65/21/24/555652124.db2.gz MXDHYBKFGPNDFR-UHFFFAOYSA-N 1 0 459.377 4.619 50 0 JJAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020155262 555675301 /nfs/dbraw/zinc/67/53/01/555675301.db2.gz CRVIRQRBKMBBLN-UHFFFAOYSA-N 1 0 474.601 4.816 50 0 JJAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@H+](C)Cc2nc(-c3ccccc3)no2)C4)cc1 ZINC000020167999 555678351 /nfs/dbraw/zinc/67/83/51/555678351.db2.gz XILYDYODFDPVJW-OAQYLSRUSA-N 1 0 497.624 4.854 50 0 JJAARO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2N(C)C1=O ZINC000020179759 555685517 /nfs/dbraw/zinc/68/55/17/555685517.db2.gz UMDOHJYWRFJAPW-MKGJRJRFSA-N 1 0 493.673 4.903 50 0 JJAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)Cc1ccccc1 ZINC000020181202 555688028 /nfs/dbraw/zinc/68/80/28/555688028.db2.gz FUZHFMAXTMKPDH-UQQQWYQISA-N 1 0 475.589 4.554 50 0 JJAARO COc1cc2nc(=S)[nH]c(NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2cc1OC ZINC000020214769 555710755 /nfs/dbraw/zinc/71/07/55/555710755.db2.gz CCETUKJLKPYDPY-UHFFFAOYSA-N 1 0 474.030 4.587 50 0 JJAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000014185205 555726634 /nfs/dbraw/zinc/72/66/34/555726634.db2.gz UERASCDPVBJNHG-RUZDIDTESA-N 1 0 470.573 4.767 50 0 JJAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000014248709 555751855 /nfs/dbraw/zinc/75/18/55/555751855.db2.gz QLHJVPXTKJUXBC-HXUWFJFHSA-N 1 0 465.619 4.820 50 0 JJAARO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000011093902 555759270 /nfs/dbraw/zinc/75/92/70/555759270.db2.gz AXXUVBBSFCXUBR-XCLFUZPHSA-N 1 0 451.336 4.673 50 0 JJAARO CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000020356129 555785568 /nfs/dbraw/zinc/78/55/68/555785568.db2.gz KTRZJUCJHHWNAW-UHFFFAOYSA-N 1 0 465.638 4.816 50 0 JJAARO CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000011614741 555791640 /nfs/dbraw/zinc/79/16/40/555791640.db2.gz GQXSERKLPVTMOE-VWLOTQADSA-N 1 0 478.589 4.786 50 0 JJAARO CC[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532133 555800092 /nfs/dbraw/zinc/80/00/92/555800092.db2.gz YHICDQCDEZOTEO-HXUWFJFHSA-N 1 0 454.596 4.817 50 0 JJAARO CC[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532134 555800118 /nfs/dbraw/zinc/80/01/18/555800118.db2.gz YHICDQCDEZOTEO-FQEVSTJZSA-N 1 0 454.596 4.817 50 0 JJAARO CCOC(=O)c1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000020532239 555801150 /nfs/dbraw/zinc/80/11/50/555801150.db2.gz HHKMNTZPBXMAIF-KRWDZBQOSA-N 1 0 466.607 4.976 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000020532230 555801264 /nfs/dbraw/zinc/80/12/64/555801264.db2.gz KXBYMPFDCKEDQN-INIZCTEOSA-N 1 0 454.596 4.817 50 0 JJAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cc(C(C)C)n[nH]1)CC2 ZINC000011785224 555817487 /nfs/dbraw/zinc/81/74/87/555817487.db2.gz KDSJIGBQISBRIL-FTJBHMTQSA-N 1 0 478.662 4.557 50 0 JJAARO COc1cccc2c1OCCC[N@@H+]([C@@H]1CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC000011786394 555819605 /nfs/dbraw/zinc/81/96/05/555819605.db2.gz AZQRILXNSULZIQ-OAQYLSRUSA-N 1 0 462.512 4.880 50 0 JJAARO COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000014534684 555823245 /nfs/dbraw/zinc/82/32/45/555823245.db2.gz CQPYDXMRWJBOOY-UHFFFAOYSA-N 1 0 493.554 4.563 50 0 JJAARO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014534941 555823635 /nfs/dbraw/zinc/82/36/35/555823635.db2.gz AHBBRPADRYHWJB-IZZNHLLZSA-N 1 0 460.593 4.744 50 0 JJAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](Cc3cc4ccccc4o3)CC2)N1CCc1ccccc1 ZINC000014535041 555823957 /nfs/dbraw/zinc/82/39/57/555823957.db2.gz XYDOERFZQOTQEW-UHFFFAOYSA-N 1 0 494.595 4.870 50 0 JJAARO Cc1oc(-c2ccccc2NS(C)(=O)=O)nc1CN(C)Cc1ccc(C[NH+]2CCCCC2)s1 ZINC000011790100 555825594 /nfs/dbraw/zinc/82/55/94/555825594.db2.gz XHRZGVWIOFTPIC-UHFFFAOYSA-N 1 0 488.679 4.701 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3nc4ccccc4s3)CC2)N1Cc1ccccc1 ZINC000014536681 555826099 /nfs/dbraw/zinc/82/60/99/555826099.db2.gz SZYGOTPCRRYGDZ-UHFFFAOYSA-N 1 0 497.624 4.691 50 0 JJAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](CCC4=C(C)CCCC4(C)C)CC3)C2=O)cc1 ZINC000014537480 555827050 /nfs/dbraw/zinc/82/70/50/555827050.db2.gz OGUWEGWZGYAVMI-UHFFFAOYSA-N 1 0 453.627 4.841 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014537566 555827115 /nfs/dbraw/zinc/82/71/15/555827115.db2.gz DGLXHOKHFYVWSG-QHCPKHFHSA-N 1 0 475.633 4.831 50 0 JJAARO O=C([C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(O)cc2)C1)N1CCCC1 ZINC000014538389 555827844 /nfs/dbraw/zinc/82/78/44/555827844.db2.gz XBWHFKRSTUULHN-VQTJNVASSA-N 1 0 462.512 4.551 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](CCCc3ccccc3)CC2)N1CCc1ccccc1 ZINC000014540838 555831041 /nfs/dbraw/zinc/83/10/41/555831041.db2.gz ACGKISKLNYWKOQ-UHFFFAOYSA-N 1 0 482.628 4.556 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N1CCc1ccccc1 ZINC000014540823 555831096 /nfs/dbraw/zinc/83/10/96/555831096.db2.gz XHJIJTBEZQJEAR-UHFFFAOYSA-N 1 0 489.019 4.777 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000020599059 555840959 /nfs/dbraw/zinc/84/09/59/555840959.db2.gz BBYPMPHDHIKZNW-MRXNPFEDSA-N 1 0 488.510 4.706 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cccc(OC(F)(F)F)c1 ZINC000015000398 555845019 /nfs/dbraw/zinc/84/50/19/555845019.db2.gz DLFFULXUPSAKET-INIZCTEOSA-N 1 0 470.875 4.638 50 0 JJAARO O=C([C@@H]1CC=CCC1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000011872084 555847534 /nfs/dbraw/zinc/84/75/34/555847534.db2.gz HMYAVXSNPVHEMB-RUZDIDTESA-N 1 0 460.618 4.945 50 0 JJAARO CCC(=O)Nc1c2ccc(C[NH+]3CCC(O)(c4ccc(Cl)cc4)CC3)nc2sc1C(=O)OC ZINC000011881305 555849604 /nfs/dbraw/zinc/84/96/04/555849604.db2.gz QBJDPGJDMRHAPW-UHFFFAOYSA-N 1 0 488.009 4.568 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(C(F)(F)F)cc1F ZINC000015006818 555851247 /nfs/dbraw/zinc/85/12/47/555851247.db2.gz DEZGWRVABUKHQT-INIZCTEOSA-N 1 0 472.866 4.898 50 0 JJAARO c1ccc(CCSc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000015007440 555851939 /nfs/dbraw/zinc/85/19/39/555851939.db2.gz CCHHRYAGEKEHTF-DEOSSOPVSA-N 1 0 463.651 4.567 50 0 JJAARO COc1cc(/C=C/C[N@@H+]2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)ccc1O ZINC000015008637 555852562 /nfs/dbraw/zinc/85/25/62/555852562.db2.gz LLNZFEFBTAHAOJ-PSROHBQZSA-N 1 0 455.624 4.663 50 0 JJAARO Cc1cccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)n1 ZINC000011910701 555858268 /nfs/dbraw/zinc/85/82/68/555858268.db2.gz HTCUHAJJFSLVCI-DEOSSOPVSA-N 1 0 463.651 4.681 50 0 JJAARO Cc1cccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)n1 ZINC000011910702 555858325 /nfs/dbraw/zinc/85/83/25/555858325.db2.gz HTCUHAJJFSLVCI-XMMPIXPASA-N 1 0 463.651 4.681 50 0 JJAARO O[C@@H](CO[C@@H]1CCCc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022039061 555865671 /nfs/dbraw/zinc/86/56/71/555865671.db2.gz DIFYWVGMEXSQHY-XRKRLSELSA-N 1 0 456.630 4.849 50 0 JJAARO COc1cc(C)c(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)cc1C ZINC000015069378 555869174 /nfs/dbraw/zinc/86/91/74/555869174.db2.gz HCMQQRJEHBMKGE-UHFFFAOYSA-N 1 0 487.575 4.570 50 0 JJAARO O=C(N[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc4ncccc4c3)CC2)[C@H]1O)c1ccccc1 ZINC000011964566 555871147 /nfs/dbraw/zinc/87/11/47/555871147.db2.gz UEBCGLZTZGMYEF-IZLXSDGUSA-N 1 0 463.581 4.614 50 0 JJAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N(C)Cc5cscn5)cc4c3)CC2)c1 ZINC000012035541 555888789 /nfs/dbraw/zinc/88/87/89/555888789.db2.gz XIWWHVWCHWCAFQ-UHFFFAOYSA-N 1 0 475.614 4.954 50 0 JJAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1)c1ccccc1 ZINC000012036134 555889201 /nfs/dbraw/zinc/88/92/01/555889201.db2.gz ALWVMWDWWXUZAA-XMMPIXPASA-N 1 0 468.645 4.969 50 0 JJAARO Cc1nc([C@H](C)[NH2+]C2CCN(c3ccc(C(=O)NCc4ccccc4F)cc3)CC2)cs1 ZINC000012036643 555889802 /nfs/dbraw/zinc/88/98/02/555889802.db2.gz UPOMAISHBUNVMO-KRWDZBQOSA-N 1 0 452.599 4.840 50 0 JJAARO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(OCc3ccccc3)cc1)CC2 ZINC000012037123 555890082 /nfs/dbraw/zinc/89/00/82/555890082.db2.gz SZHXOPXNTHGDJC-HSZRJFAPSA-N 1 0 495.627 4.715 50 0 JJAARO CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000012037642 555890739 /nfs/dbraw/zinc/89/07/39/555890739.db2.gz KKOHAORHZZGIBN-RUZDIDTESA-N 1 0 451.014 4.669 50 0 JJAARO C[C@@H](C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCc4ccncc4)cc3c2)CC1)c1ccccc1 ZINC000012038736 555891593 /nfs/dbraw/zinc/89/15/93/555891593.db2.gz JCONUNUAAJKBNF-NRFANRHFSA-N 1 0 469.585 4.845 50 0 JJAARO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c2n1 ZINC000015276459 555892049 /nfs/dbraw/zinc/89/20/49/555892049.db2.gz VGDAQBDEZHYPBP-JXFKEZNVSA-N 1 0 470.520 4.764 50 0 JJAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)c1ccc(C(F)(F)F)cc1 ZINC000012053313 555896949 /nfs/dbraw/zinc/89/69/49/555896949.db2.gz WOIRYUPGLJLPNQ-FQEVSTJZSA-N 1 0 450.476 4.788 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015319703 555897223 /nfs/dbraw/zinc/89/72/23/555897223.db2.gz NFAWVCDHKYVBKD-UWJYYQICSA-N 1 0 488.510 4.845 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000012140908 555920123 /nfs/dbraw/zinc/92/01/23/555920123.db2.gz BHYBLSAQJVUNJU-UHFFFAOYSA-N 1 0 455.580 4.505 50 0 JJAARO C[NH+](C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2s1)OCO3 ZINC000012141004 555920482 /nfs/dbraw/zinc/92/04/82/555920482.db2.gz YOPNVQYIZJJCFD-UHFFFAOYSA-N 1 0 451.470 4.642 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]Cc3nc4cc(F)ccc4[nH]3)CC2)cc1)N1CCc2ccccc2C1 ZINC000012151216 555923787 /nfs/dbraw/zinc/92/37/87/555923787.db2.gz GTEPLHVKXPKIJS-UHFFFAOYSA-N 1 0 483.591 4.659 50 0 JJAARO CC[C@H]1C[N@H+](CCC(=O)N[C@@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000012152858 555927262 /nfs/dbraw/zinc/92/72/62/555927262.db2.gz GQKLYLYPZABQGU-FIPFOOKPSA-N 1 0 459.590 4.668 50 0 JJAARO COc1cccc(CC[NH2+]C2CCN(c3ccc(NC(=O)Cc4cccc(F)c4)cc3)CC2)c1 ZINC000012156515 555928642 /nfs/dbraw/zinc/92/86/42/555928642.db2.gz GPNRHVOBJGAINN-UHFFFAOYSA-N 1 0 461.581 4.817 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[NH+]2CCCCCC2)CC1 ZINC000015672461 555929396 /nfs/dbraw/zinc/92/93/96/555929396.db2.gz WVZUFCLTLNPAEN-WJLLHHSZSA-N 1 0 484.710 4.878 50 0 JJAARO C[C@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC(C)(C)CO ZINC000012161356 555930939 /nfs/dbraw/zinc/93/09/39/555930939.db2.gz JVXPRKQBTFCTBH-LJQANCHMSA-N 1 0 452.620 4.874 50 0 JJAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCCC2)N(CCC[NH+]2CCCCC2)C3=O)o1 ZINC000015675836 555934794 /nfs/dbraw/zinc/93/47/94/555934794.db2.gz OFQRFBIHFAUGMS-NDEPHWFRSA-N 1 0 482.669 4.862 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCCC1 ZINC000015675865 555934833 /nfs/dbraw/zinc/93/48/33/555934833.db2.gz JXPMOZMALIWUKH-HHHXNRCGSA-N 1 0 468.642 4.554 50 0 JJAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015681636 555951234 /nfs/dbraw/zinc/95/12/34/555951234.db2.gz BLALRSPSWWGQJV-UHFFFAOYSA-N 1 0 485.607 4.795 50 0 JJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000012377171 555965359 /nfs/dbraw/zinc/96/53/59/555965359.db2.gz MEMMJGXLTRSCSG-LAUBAEHRSA-N 1 0 484.522 4.935 50 0 JJAARO CCCCN(C1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000015731090 555973981 /nfs/dbraw/zinc/97/39/81/555973981.db2.gz YMGDOSWLJRWTTP-UHFFFAOYSA-N 1 0 465.563 4.697 50 0 JJAARO Brc1ccccc1-c1nnc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)o1 ZINC000022932593 555985264 /nfs/dbraw/zinc/98/52/64/555985264.db2.gz VMHARZGQRHNWAY-UHFFFAOYSA-N 1 0 463.379 4.970 50 0 JJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000022937362 555990658 /nfs/dbraw/zinc/99/06/58/555990658.db2.gz ICPCHPJUCCLTTP-UHFFFAOYSA-N 1 0 450.652 4.762 50 0 JJAARO Cc1ccc2nc3sc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)cc3cc2c1 ZINC000022937919 555990966 /nfs/dbraw/zinc/99/09/66/555990966.db2.gz CTEGBHVCKMDGDH-UHFFFAOYSA-N 1 0 458.631 4.696 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774021 555992427 /nfs/dbraw/zinc/99/24/27/555992427.db2.gz XVGWRMZFNYXXKA-HHHXNRCGSA-N 1 0 488.031 4.940 50 0 JJAARO O=C(CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000022995193 555996315 /nfs/dbraw/zinc/99/63/15/555996315.db2.gz HKMMOVPLDXSWGB-UHFFFAOYSA-N 1 0 497.945 4.667 50 0 JJAARO CCOc1ccccc1N1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000012532332 556002319 /nfs/dbraw/zinc/00/23/19/556002319.db2.gz AMYXFAKPDRSJDA-RUZDIDTESA-N 1 0 482.571 4.653 50 0 JJAARO Cc1c(=O)c2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)c2oc1-c1ccccc1 ZINC000023133669 556019986 /nfs/dbraw/zinc/01/99/86/556019986.db2.gz IXGPYNJAGFGRPX-UHFFFAOYSA-N 1 0 453.542 4.773 50 0 JJAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)cc2)CC1 ZINC000023134102 556020021 /nfs/dbraw/zinc/02/00/21/556020021.db2.gz ACRKEBXJIXOGBC-RUZDIDTESA-N 1 0 477.008 4.592 50 0 JJAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)cc2)CC1 ZINC000023134105 556020064 /nfs/dbraw/zinc/02/00/64/556020064.db2.gz ACRKEBXJIXOGBC-VWLOTQADSA-N 1 0 477.008 4.592 50 0 JJAARO O=C(Nc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)c1)c1ccccc1Cl ZINC000023257806 556036758 /nfs/dbraw/zinc/03/67/58/556036758.db2.gz UOJFUQMKAYQJQV-QFIPXVFZSA-N 1 0 456.011 4.817 50 0 JJAARO CSc1ncc(C[NH2+]CCc2cccc(Cl)c2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000023335576 556044916 /nfs/dbraw/zinc/04/49/16/556044916.db2.gz ZGFIQGXGVBCUSQ-UHFFFAOYSA-N 1 0 472.033 4.650 50 0 JJAARO CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)C1CC[NH+](C)CC1 ZINC000023408301 556051804 /nfs/dbraw/zinc/05/18/04/556051804.db2.gz BAWFKDVBHIDYLL-UHFFFAOYSA-N 1 0 490.840 4.614 50 0 JJAARO CCOC(=O)C1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012561471 556054781 /nfs/dbraw/zinc/05/47/81/556054781.db2.gz RUDIZNYMEXXZCX-QFIPXVFZSA-N 1 0 466.405 4.735 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023449848 556064709 /nfs/dbraw/zinc/06/47/09/556064709.db2.gz QWGJFIICJJTHIP-HSZRJFAPSA-N 1 0 473.617 4.887 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1 ZINC000012568891 556070009 /nfs/dbraw/zinc/07/00/09/556070009.db2.gz RIBBXGVQHVUEPY-UHFFFAOYSA-N 1 0 468.598 4.510 50 0 JJAARO CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000023695358 556083529 /nfs/dbraw/zinc/08/35/29/556083529.db2.gz CEBKUHZBDNECTL-UHFFFAOYSA-N 1 0 453.583 4.939 50 0 JJAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000015953236 556087089 /nfs/dbraw/zinc/08/70/89/556087089.db2.gz SSOZXHAQRFYUFX-UHFFFAOYSA-N 1 0 470.639 4.660 50 0 JJAARO O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012628514 556093037 /nfs/dbraw/zinc/09/30/37/556093037.db2.gz ZWFHAQPAFWPJQD-UHFFFAOYSA-N 1 0 485.451 4.712 50 0 JJAARO CCc1[nH+]c(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000012655052 556098720 /nfs/dbraw/zinc/09/87/20/556098720.db2.gz FOBHGICENKVURL-MRFFJIIUSA-N 1 0 480.649 4.902 50 0 biogenic JJAARO C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736633 556105773 /nfs/dbraw/zinc/10/57/73/556105773.db2.gz HJTHFUNSTIPAKL-DIFFPNOSSA-N 1 0 460.283 4.950 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000012737974 556106479 /nfs/dbraw/zinc/10/64/79/556106479.db2.gz GGZUFRCNYVZJOE-XMMPIXPASA-N 1 0 458.537 4.720 50 0 JJAARO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000024104140 556121651 /nfs/dbraw/zinc/12/16/51/556121651.db2.gz UGCVCNWMJMDAPZ-UHFFFAOYSA-N 1 0 469.033 4.606 50 0 JJAARO Cc1ccc2nc(CN3CC[NH+](Cc4ccc(-c5ccccc5Cl)s4)CC3)cc(=O)n2c1 ZINC000024837709 556159296 /nfs/dbraw/zinc/15/92/96/556159296.db2.gz BDPDTEGWEXABOP-UHFFFAOYSA-N 1 0 465.022 4.703 50 0 JJAARO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000024923825 556163436 /nfs/dbraw/zinc/16/34/36/556163436.db2.gz QEOZODXRZRHLRS-RUZDIDTESA-N 1 0 493.007 4.778 50 0 JJAARO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000012973809 556165506 /nfs/dbraw/zinc/16/55/06/556165506.db2.gz CWJIGILYGQCCKP-OAQYLSRUSA-N 1 0 463.603 4.611 50 0 JJAARO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2O)cc1 ZINC000024986261 556169649 /nfs/dbraw/zinc/16/96/49/556169649.db2.gz STHOJKCHRFWCQF-UHFFFAOYSA-N 1 0 470.573 4.659 50 0 JJAARO CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000026842648 556264637 /nfs/dbraw/zinc/26/46/37/556264637.db2.gz ZAUKABLUGSBUSR-RUZDIDTESA-N 1 0 478.589 4.704 50 0 JJAARO CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000026842643 556264724 /nfs/dbraw/zinc/26/47/24/556264724.db2.gz ZAUKABLUGSBUSR-VWLOTQADSA-N 1 0 478.589 4.704 50 0 JJAARO COc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCCC2)cc1 ZINC000027580481 556300238 /nfs/dbraw/zinc/30/02/38/556300238.db2.gz PRFABDABBIKQGD-QFIPXVFZSA-N 1 0 461.400 4.570 50 0 JJAARO COc1cccc([C@@H](C[NH2+][C@H](C)C(=O)N2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000013120358 556332771 /nfs/dbraw/zinc/33/27/71/556332771.db2.gz QYTIKQHKVYCSDU-NTKDMRAZSA-N 1 0 469.585 4.884 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)[NH+]2CCCCC2)cc1 ZINC000013120605 556333158 /nfs/dbraw/zinc/33/31/58/556333158.db2.gz GMDATYLXKQSNLD-HHHXNRCGSA-N 1 0 454.574 4.991 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3SCc3c(C)noc3C)cc2C)CC1 ZINC000028732597 556340735 /nfs/dbraw/zinc/34/07/35/556340735.db2.gz USTCUXJLAMXEHC-UHFFFAOYSA-N 1 0 465.623 4.681 50 0 JJAARO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000019362940 556345443 /nfs/dbraw/zinc/34/54/43/556345443.db2.gz YDOZKUBIATUKTK-HHHXNRCGSA-N 1 0 483.612 4.515 50 0 JJAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@@H](c3nncn3C)C2)c(C)s1 ZINC000019739868 556363432 /nfs/dbraw/zinc/36/34/32/556363432.db2.gz IKQBMWUFEFZRLZ-GOSISDBHSA-N 1 0 450.587 4.865 50 0 JJAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000019741418 556364601 /nfs/dbraw/zinc/36/46/01/556364601.db2.gz VETACPNKTWDBGX-NDEPHWFRSA-N 1 0 494.643 4.834 50 0 JJAARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)c12 ZINC000031079347 556392049 /nfs/dbraw/zinc/39/20/49/556392049.db2.gz JZFSOSMQNKWNRD-UHFFFAOYSA-N 1 0 453.590 4.813 50 0 JJAARO Cc1ccc(-c2noc(COc3ccccc3C(=O)N3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000032579176 556446417 /nfs/dbraw/zinc/44/64/17/556446417.db2.gz BUXQDEILTYOLIO-UHFFFAOYSA-N 1 0 460.578 4.715 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000032622874 556452732 /nfs/dbraw/zinc/45/27/32/556452732.db2.gz YZQQYWGRKQZWJZ-IBGZPJMESA-N 1 0 475.770 4.706 50 0 JJAARO CCc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)cc1 ZINC000032623126 556453034 /nfs/dbraw/zinc/45/30/34/556453034.db2.gz SSBQPVBBYKLQJA-QHCPKHFHSA-N 1 0 461.562 4.632 50 0 JJAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2CSc2nc3ccccc3s2)C1 ZINC000032819187 556503694 /nfs/dbraw/zinc/50/36/94/556503694.db2.gz AVOFDHYLLJMYDZ-LJQANCHMSA-N 1 0 455.649 4.675 50 0 JJAARO CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N[C@H](C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000032916675 556540921 /nfs/dbraw/zinc/54/09/21/556540921.db2.gz BIPSHZIKKUNOEN-OAQYLSRUSA-N 1 0 486.620 4.603 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc(-c4nnc(-c5ccccc5C)o4)cc3)cc2)CC1 ZINC000032932411 556547496 /nfs/dbraw/zinc/54/74/96/556547496.db2.gz UWYVQWALCBPFSN-UHFFFAOYSA-N 1 0 495.627 4.780 50 0 JJAARO CCOC(=O)c1c(NC(=O)COc2ccc(C(=O)CC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000032957675 556570904 /nfs/dbraw/zinc/57/09/04/556570904.db2.gz UTIBJWWYOWLFCM-UHFFFAOYSA-N 1 0 472.607 4.694 50 0 JJAARO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000008687389 562953343 /nfs/dbraw/zinc/95/33/43/562953343.db2.gz TXPRPLRWADQUKQ-RUZDIDTESA-N 1 0 494.591 4.741 50 0 JJAARO c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cn1 ZINC000053175335 563205123 /nfs/dbraw/zinc/20/51/23/563205123.db2.gz ORVJEKYISCIFJT-UHFFFAOYSA-N 1 0 488.599 4.849 50 0 JJAARO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(F)cc4)CC2)n3C)cc1 ZINC000057264460 569595090 /nfs/dbraw/zinc/59/50/90/569595090.db2.gz FABYIIZJUIRNLA-UHFFFAOYSA-N 1 0 471.580 4.638 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000057264449 569595121 /nfs/dbraw/zinc/59/51/21/569595121.db2.gz BCANAZVLSNPECK-UHFFFAOYSA-N 1 0 491.998 4.983 50 0 JJAARO C[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)cc2NC1=O ZINC000057270794 569595296 /nfs/dbraw/zinc/59/52/96/569595296.db2.gz WNSPXQGYZYCHAQ-IBGZPJMESA-N 1 0 472.614 4.694 50 0 JJAARO Cc1cc2nc(C)c(CCC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)c(C)n2n1 ZINC000057273878 569595536 /nfs/dbraw/zinc/59/55/36/569595536.db2.gz DFBNKWZJWOYVID-UHFFFAOYSA-N 1 0 482.632 4.548 50 0 JJAARO COc1cc(Br)cc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000008717694 569596828 /nfs/dbraw/zinc/59/68/28/569596828.db2.gz SKDXCDLIKHGQMG-IBGZPJMESA-N 1 0 460.347 4.562 50 0 JJAARO CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057314340 569596932 /nfs/dbraw/zinc/59/69/32/569596932.db2.gz NJEAWLFXJZGXIS-UHFFFAOYSA-N 1 0 458.631 4.698 50 0 JJAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2)Cc1ccccc1 ZINC000032983595 569606907 /nfs/dbraw/zinc/60/69/07/569606907.db2.gz KWEAOYOWCRIZCZ-PCLIKHOPSA-N 1 0 475.976 4.964 50 0 JJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)C1 ZINC000032983619 569606929 /nfs/dbraw/zinc/60/69/29/569606929.db2.gz CZGSQJHYYDYXRJ-NQRZERFFSA-N 1 0 453.970 4.564 50 0 JJAARO C[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2)C1CCCCC1 ZINC000032983631 569606986 /nfs/dbraw/zinc/60/69/86/569606986.db2.gz JVLGTICXVVAKCU-HAHDFKILSA-N 1 0 453.970 4.706 50 0 JJAARO C[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)C1CCCCC1 ZINC000032983905 569607138 /nfs/dbraw/zinc/60/71/38/569607138.db2.gz HQKHEPVVFMOCIU-KQWNVCNZSA-N 1 0 453.970 4.706 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984001 569607270 /nfs/dbraw/zinc/60/72/70/569607270.db2.gz ZDYBHWPZDPYXTA-XQNSMLJCSA-N 1 0 453.970 4.708 50 0 JJAARO CC[NH+](CC)CCn1ccc2cc(NC(=O)C3CCN(C(=O)CCc4ccccc4)CC3)ccc21 ZINC000060271029 569608629 /nfs/dbraw/zinc/60/86/29/569608629.db2.gz OYJSPKQDBDNOIB-UHFFFAOYSA-N 1 0 474.649 4.793 50 0 JJAARO COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CC[NH+](CCc4ccccn4)CC3)n2)c1 ZINC000061997336 569609887 /nfs/dbraw/zinc/60/98/87/569609887.db2.gz DOKMGCKQCFDQEV-UHFFFAOYSA-N 1 0 492.583 4.720 50 0 JJAARO 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 569610070 /nfs/dbraw/zinc/61/00/70/569610070.db2.gz NWZOJQQDEHLRJJ-NZWZHHCMSA-N 1 0 491.591 4.626 50 0 biogenic JJAARO 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 569610079 /nfs/dbraw/zinc/61/00/79/569610079.db2.gz YAONEWOINVLPEC-OMICENBGSA-N 1 0 497.982 4.663 50 0 biogenic JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)[NH2+][C@]12C(=O)Nc1ccc(Br)cc12 ZINC000061999530 569610175 /nfs/dbraw/zinc/61/01/75/569610175.db2.gz YYBJRNXGNSNWBX-JLDZCNIISA-N 1 0 492.801 4.531 50 0 biogenic JJAARO Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)sc21 ZINC000064567948 569619953 /nfs/dbraw/zinc/61/99/53/569619953.db2.gz BXWVZNYVJBANHZ-UHFFFAOYSA-N 1 0 494.064 4.897 50 0 JJAARO O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1)NCC[NH+]1CCCCC1 ZINC000034679707 569642779 /nfs/dbraw/zinc/64/27/79/569642779.db2.gz YFRLPRKKOMWJSB-UHFFFAOYSA-N 1 0 473.592 4.817 50 0 JJAARO O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000034679859 569642850 /nfs/dbraw/zinc/64/28/50/569642850.db2.gz MGGXAPPGAXHWQI-OBGWFSINSA-N 1 0 467.613 4.688 50 0 JJAARO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](Cc3cccs3)CC2)nc1 ZINC000034681707 569643472 /nfs/dbraw/zinc/64/34/72/569643472.db2.gz MWSYYJGOPLSMIC-UHFFFAOYSA-N 1 0 456.999 4.526 50 0 JJAARO COc1ccc(N(C2CC[NH+](Cc3cccs3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000034683751 569644675 /nfs/dbraw/zinc/64/46/75/569644675.db2.gz ACGPEYKAHDRLNH-UHFFFAOYSA-N 1 0 490.622 4.764 50 0 JJAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000034685306 569644949 /nfs/dbraw/zinc/64/49/49/569644949.db2.gz JMIXIRPYPOGSMJ-UHFFFAOYSA-N 1 0 467.535 4.729 50 0 JJAARO O=C(NCc1ccccc1F)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684550 569644998 /nfs/dbraw/zinc/64/49/98/569644998.db2.gz QFWCAWNKIPHCCI-UHFFFAOYSA-N 1 0 484.575 4.651 50 0 JJAARO COc1ccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@H](c3ccccc3)C2)cc1 ZINC000034697656 569647576 /nfs/dbraw/zinc/64/75/76/569647576.db2.gz XWPJUDQLQBSVMU-CUBQBAPOSA-N 1 0 473.592 4.512 50 0 JJAARO O=C(c1ccc(F)cc1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698306 569647714 /nfs/dbraw/zinc/64/77/14/569647714.db2.gz IRHZXGMRPWLBJW-WXVAWEFUSA-N 1 0 479.546 4.782 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)CC4CCCC4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698454 569647789 /nfs/dbraw/zinc/64/77/89/569647789.db2.gz NGGZOLVYOVXBIJ-RBJSKKJNSA-N 1 0 479.640 4.779 50 0 JJAARO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000034698409 569647831 /nfs/dbraw/zinc/64/78/31/569647831.db2.gz TXTJBSKVZDHKDV-CUBQBAPOSA-N 1 0 473.592 4.512 50 0 JJAARO Clc1ccc2c3nnc(-c4cccs4)n3c(N3CCC[N@H+](Cc4cccnc4)CC3)nc2c1 ZINC000034707913 569650022 /nfs/dbraw/zinc/65/00/22/569650022.db2.gz SXMWRFCBAIKSIB-UHFFFAOYSA-N 1 0 476.009 4.767 50 0 JJAARO C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC[N@@H+]1Cc1cccc(F)c1 ZINC000034708014 569650192 /nfs/dbraw/zinc/65/01/92/569650192.db2.gz GCZZGDVTXYETRQ-KRWDZBQOSA-N 1 0 458.566 4.856 50 0 JJAARO Cc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000034724704 569652652 /nfs/dbraw/zinc/65/26/52/569652652.db2.gz JZXJQJGDOLHRHS-UHFFFAOYSA-N 1 0 480.678 4.562 50 0 JJAARO Fc1cccc(-c2noc(-c3ccc(NCCCN4CC[NH+](Cc5ccccc5)CC4)nc3)n2)c1 ZINC000065097934 569661698 /nfs/dbraw/zinc/66/16/98/569661698.db2.gz MVXIICDLQGDDAW-UHFFFAOYSA-N 1 0 472.568 4.558 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(C)cc1 ZINC000034814846 569662879 /nfs/dbraw/zinc/66/28/79/569662879.db2.gz OPBVSPAEZAGKOR-UHFFFAOYSA-N 1 0 459.638 4.683 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829537 569662980 /nfs/dbraw/zinc/66/29/80/569662980.db2.gz UPDMLKKLTHEFIO-UHFFFAOYSA-N 1 0 491.655 4.689 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034830395 569663862 /nfs/dbraw/zinc/66/38/62/569663862.db2.gz ODOBQRCAJJDHSK-CPJSRVTESA-N 1 0 493.698 4.829 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3cccs3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831334 569664102 /nfs/dbraw/zinc/66/41/02/569664102.db2.gz QOLDSLXTELCZQF-UHFFFAOYSA-N 1 0 497.684 4.751 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)C3CCCCC3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831295 569664106 /nfs/dbraw/zinc/66/41/06/569664106.db2.gz NNQYAAFCCUMPRE-UHFFFAOYSA-N 1 0 469.649 4.779 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)CCC3CCCC3)C3CC3)c(C)nn2-c2ccccc2)CC1 ZINC000034831246 569664219 /nfs/dbraw/zinc/66/42/19/569664219.db2.gz KDUASHSTJMWDEK-UHFFFAOYSA-N 1 0 463.670 4.784 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)C(C)(C)C ZINC000034832054 569664451 /nfs/dbraw/zinc/66/44/51/569664451.db2.gz SRLXFRGAYMTPGE-IBGZPJMESA-N 1 0 457.638 4.635 50 0 JJAARO CCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)CC(C)C ZINC000034831322 569664229 /nfs/dbraw/zinc/66/42/29/569664229.db2.gz VEIWOYXYCNQIOT-UHFFFAOYSA-N 1 0 457.638 4.637 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)NC1CCCCC1 ZINC000034835242 569664881 /nfs/dbraw/zinc/66/48/81/569664881.db2.gz MPXIRWCDXTXQGR-QFIPXVFZSA-N 1 0 480.701 4.965 50 0 JJAARO CCCC[C@@H](CC)C(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034835155 569664998 /nfs/dbraw/zinc/66/49/98/569664998.db2.gz VAWWHYGNXIDBTG-RUZDIDTESA-N 1 0 497.728 4.904 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835536 569665093 /nfs/dbraw/zinc/66/50/93/569665093.db2.gz BXICUIVAIXMCQA-UHFFFAOYSA-N 1 0 495.618 4.582 50 0 JJAARO CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314996 569672678 /nfs/dbraw/zinc/67/26/78/569672678.db2.gz CUHYANKDHVHOCM-UHFFFAOYSA-N 1 0 465.613 4.972 50 0 JJAARO C[C@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@H](C)O1 ZINC000065606738 569676349 /nfs/dbraw/zinc/67/63/49/569676349.db2.gz QIQAHTDQJPACTQ-PMACEKPBSA-N 1 0 455.574 4.758 50 0 JJAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Cl)cc2)cc1C ZINC000035372584 569683085 /nfs/dbraw/zinc/68/30/85/569683085.db2.gz NFHBGDVVVSEVSC-UHFFFAOYSA-N 1 0 455.027 4.952 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(F)cc1)=N2 ZINC000035372592 569683143 /nfs/dbraw/zinc/68/31/43/569683143.db2.gz YOTYQCHVRJGLMH-UHFFFAOYSA-N 1 0 452.599 4.828 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372727 569683271 /nfs/dbraw/zinc/68/32/71/569683271.db2.gz GQYKDAOQQPMKCC-UHFFFAOYSA-N 1 0 462.953 4.613 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccccc1)=N2 ZINC000035372933 569683461 /nfs/dbraw/zinc/68/34/61/569683461.db2.gz VUPCDKCPDRYSMU-UHFFFAOYSA-N 1 0 471.026 4.734 50 0 JJAARO O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000035399198 569689620 /nfs/dbraw/zinc/68/96/20/569689620.db2.gz YHSLORDJPHMEEW-UHFFFAOYSA-N 1 0 489.104 4.813 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CC3CCN(C(=O)Nc4ccccc4)CC3)CC2)cc1 ZINC000035399208 569689674 /nfs/dbraw/zinc/68/96/74/569689674.db2.gz IBKKTBJDAKMPMH-UHFFFAOYSA-N 1 0 462.638 4.657 50 0 JJAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000068822147 569692340 /nfs/dbraw/zinc/69/23/40/569692340.db2.gz PNZLOFLJWDQBHN-FQEVSTJZSA-N 1 0 496.652 4.731 50 0 JJAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000069438062 569693033 /nfs/dbraw/zinc/69/30/33/569693033.db2.gz MPLDPVOAYCPODW-QFIPXVFZSA-N 1 0 462.421 4.755 50 0 JJAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000035426573 569693867 /nfs/dbraw/zinc/69/38/67/569693867.db2.gz PGVUKHWLCYCIKM-UHFFFAOYSA-N 1 0 479.600 4.781 50 0 JJAARO COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C[NH+]5CCC(C)CC5)cc4)CC3)n2)cc1 ZINC000035447304 569696094 /nfs/dbraw/zinc/69/60/94/569696094.db2.gz ZHMSBMHZGFWKRB-UHFFFAOYSA-N 1 0 489.620 4.832 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000035447440 569696195 /nfs/dbraw/zinc/69/61/95/569696195.db2.gz MUIWVQMGXZHABI-VWLOTQADSA-N 1 0 482.068 4.653 50 0 JJAARO CC[NH+](CC)[C@@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)(C)C)cc1 ZINC000035671284 569706065 /nfs/dbraw/zinc/70/60/65/569706065.db2.gz PCKYWVAUECIDBR-KRWDZBQOSA-N 1 0 470.664 4.883 50 0 JJAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000084456261 569709160 /nfs/dbraw/zinc/70/91/60/569709160.db2.gz BKDLMTXRIITUQQ-JOCHJYFZSA-N 1 0 451.032 4.966 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000085877448 569716123 /nfs/dbraw/zinc/71/61/23/569716123.db2.gz QYOCZGINUVALFF-DFCKQENNSA-N 1 0 465.682 4.966 50 0 biogenic JJAARO COc1ccc2[nH]cc(CC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)c2c1 ZINC000089467060 569718625 /nfs/dbraw/zinc/71/86/25/569718625.db2.gz PZAPHQLBTMUZQS-UHFFFAOYSA-N 1 0 454.574 4.680 50 0 JJAARO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871986 569719132 /nfs/dbraw/zinc/71/91/32/569719132.db2.gz FGZPFPWWKCLIKZ-ZJSXRUAMSA-N 1 0 475.530 4.766 50 0 JJAARO CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C ZINC000035947405 569734548 /nfs/dbraw/zinc/73/45/48/569734548.db2.gz WTKMNBYOMMTELE-UHFFFAOYSA-N 1 0 473.061 4.985 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccco1 ZINC000096134099 569736398 /nfs/dbraw/zinc/73/63/98/569736398.db2.gz IYLQZWBYKXAPLK-YLQXFRFJSA-N 1 0 467.566 4.685 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)C3CCCCC3)ccc21 ZINC000096523418 569740734 /nfs/dbraw/zinc/74/07/34/569740734.db2.gz NGHNNXFFYAYYSY-UHFFFAOYSA-N 1 0 459.638 4.893 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000096523423 569740755 /nfs/dbraw/zinc/74/07/55/569740755.db2.gz CMXFHKNDAUJCCW-UHFFFAOYSA-N 1 0 483.616 4.635 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000096523424 569740801 /nfs/dbraw/zinc/74/08/01/569740801.db2.gz HHPFJLBFMHQQRP-UHFFFAOYSA-N 1 0 483.616 4.635 50 0 JJAARO C[C@@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)C[C@H](C)[NH2+]1 ZINC000096592309 569742048 /nfs/dbraw/zinc/74/20/48/569742048.db2.gz BGHPXZSKRHBIMS-OKILXGFUSA-N 1 0 458.791 4.808 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)n1 ZINC000097663989 569745709 /nfs/dbraw/zinc/74/57/09/569745709.db2.gz YBEVJXKTFPXSJC-HSNNOZIGSA-N 1 0 482.660 4.679 50 0 JJAARO CC[C@@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048337 569755795 /nfs/dbraw/zinc/75/57/95/569755795.db2.gz UULIMZKPEUSURA-VAVYLYDRSA-N 1 0 458.602 4.941 50 0 JJAARO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313831 569761104 /nfs/dbraw/zinc/76/11/04/569761104.db2.gz JZLDXXRAIQEOEP-HSZRJFAPSA-N 1 0 485.600 4.645 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036316174 569762375 /nfs/dbraw/zinc/76/23/75/569762375.db2.gz KCHYDFNNDSZJMB-OAQYLSRUSA-N 1 0 471.548 4.767 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316497 569763241 /nfs/dbraw/zinc/76/32/41/569763241.db2.gz DGTRHNRYMOAABW-JOCHJYFZSA-N 1 0 467.585 4.976 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316496 569763304 /nfs/dbraw/zinc/76/33/04/569763304.db2.gz DGTRHNRYMOAABW-QFIPXVFZSA-N 1 0 467.585 4.976 50 0 JJAARO CC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(Cl)c2)CC1 ZINC000036340111 569763610 /nfs/dbraw/zinc/76/36/10/569763610.db2.gz UJEXLVWCVCCCSD-HSZRJFAPSA-N 1 0 451.014 4.589 50 0 JJAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340403 569763729 /nfs/dbraw/zinc/76/37/29/569763729.db2.gz XIYDIZSBUCYBCB-XMMPIXPASA-N 1 0 462.613 4.855 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1 ZINC000036340454 569763803 /nfs/dbraw/zinc/76/38/03/569763803.db2.gz QQMCGYGLTKFSAU-MUUNZHRXSA-N 1 0 478.640 4.768 50 0 JJAARO Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c1 ZINC000036340564 569764023 /nfs/dbraw/zinc/76/40/23/569764023.db2.gz LKZHZYWSHJWIJF-MHZLTWQESA-N 1 0 488.676 4.507 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342131 569765453 /nfs/dbraw/zinc/76/54/53/569765453.db2.gz NQHZDKXEAYEELQ-QHCPKHFHSA-N 1 0 453.558 4.722 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345977 569768666 /nfs/dbraw/zinc/76/86/66/569768666.db2.gz SZMJLNFMFJKFKW-JOCHJYFZSA-N 1 0 455.574 4.968 50 0 JJAARO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000037198764 569781502 /nfs/dbraw/zinc/78/15/02/569781502.db2.gz OOWAZRKIWXXXBM-SFTDATJTSA-N 1 0 499.677 4.501 50 0 JJAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccccc1F ZINC000037359431 569783921 /nfs/dbraw/zinc/78/39/21/569783921.db2.gz PVBZVMDDGKFELW-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCc4ccccc4C3)CC2)c1OC ZINC000037554390 569794585 /nfs/dbraw/zinc/79/45/85/569794585.db2.gz PPIZZMZULGTFRO-UHFFFAOYSA-N 1 0 485.628 4.985 50 0 JJAARO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)c1 ZINC000037570540 569795799 /nfs/dbraw/zinc/79/57/99/569795799.db2.gz RAQCYMCNAICQKT-UHFFFAOYSA-N 1 0 450.604 4.864 50 0 JJAARO O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1)NCC[NH+]1CCCCC1 ZINC000037600703 569797028 /nfs/dbraw/zinc/79/70/28/569797028.db2.gz GEEWLYQCISKUPP-UHFFFAOYSA-N 1 0 491.582 4.956 50 0 JJAARO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccncc2)CC1 ZINC000038546589 569803416 /nfs/dbraw/zinc/80/34/16/569803416.db2.gz KNVDFAGINXKRSN-QHCPKHFHSA-N 1 0 450.608 4.594 50 0 JJAARO CC[NH+]1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546599 569803419 /nfs/dbraw/zinc/80/34/19/569803419.db2.gz WIJPCCKQMDWZEM-RUZDIDTESA-N 1 0 493.629 4.928 50 0 JJAARO COc1cc(OC)c(NC(=O)CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000038729207 569806255 /nfs/dbraw/zinc/80/62/55/569806255.db2.gz BFCQERCMLWATRB-UHFFFAOYSA-N 1 0 485.934 4.522 50 0 JJAARO Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCCCC4)N32)cc1 ZINC000101920219 569807862 /nfs/dbraw/zinc/80/78/62/569807862.db2.gz NWTYMXREERMLSA-RUZDIDTESA-N 1 0 496.677 4.514 50 0 JJAARO Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000039445285 569809943 /nfs/dbraw/zinc/80/99/43/569809943.db2.gz LSNPKBWELAYNGL-HOYKHHGWSA-N 1 0 479.671 4.669 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)[C@H]1c1cccs1 ZINC000103727173 569837539 /nfs/dbraw/zinc/83/75/39/569837539.db2.gz LIGYPBGXMHTTCT-KSNOWIBYSA-N 1 0 467.679 4.923 50 0 JJAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983716 569848190 /nfs/dbraw/zinc/84/81/90/569848190.db2.gz UPZRZSCKZXRLSC-XZOQPEGZSA-N 1 0 482.518 4.873 50 0 JJAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000104983926 569848419 /nfs/dbraw/zinc/84/84/19/569848419.db2.gz RABCUAMOFGKPAM-XNMGPUDCSA-N 1 0 494.035 4.841 50 0 JJAARO CC(C)[C@@H]([NH2+]CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000049574716 569848854 /nfs/dbraw/zinc/84/88/54/569848854.db2.gz QLIVVOVTXFWNCE-SHQCIBLASA-N 1 0 486.678 4.830 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000105003053 569849207 /nfs/dbraw/zinc/84/92/07/569849207.db2.gz FPSPMIXGABTZRW-ZEQKJWHPSA-N 1 0 478.658 4.569 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)CC ZINC000105003310 569849222 /nfs/dbraw/zinc/84/92/22/569849222.db2.gz FHYRAIYUBUFYMA-ZJSXRUAMSA-N 1 0 458.668 4.859 50 0 JJAARO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)[C@H](C)C(C)(C)O ZINC000105004052 569849676 /nfs/dbraw/zinc/84/96/76/569849676.db2.gz QKKIBLLNTBFVAE-IRLDBZIGSA-N 1 0 458.668 4.741 50 0 JJAARO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106184162 569853825 /nfs/dbraw/zinc/85/38/25/569853825.db2.gz JGZJPFRDENZGEL-KAYWLYCHSA-N 1 0 455.602 4.615 50 0 JJAARO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677746 569868893 /nfs/dbraw/zinc/86/88/93/569868893.db2.gz NLHFZAPXSSZYHM-VWNXMTODSA-N 1 0 475.530 4.766 50 0 JJAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169677684 569868925 /nfs/dbraw/zinc/86/89/25/569868925.db2.gz RABCUAMOFGKPAM-VPUSJEBWSA-N 1 0 494.035 4.841 50 0 JJAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](c3ccccc3)[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000169679495 569869812 /nfs/dbraw/zinc/86/98/12/569869812.db2.gz UEPLITUZENKSFC-FBLLAGFSSA-N 1 0 470.560 4.720 50 0 JJAARO COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680050 569870056 /nfs/dbraw/zinc/87/00/56/569870056.db2.gz ZZMIXCRWYBTSRK-RCZVLFRGSA-N 1 0 480.992 4.784 50 0 JJAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C45CC6C[C@@](C)(C4)C[C@](C)(C6)C5)cc3)cc2n(C)c1=O ZINC000227086692 570039921 /nfs/dbraw/zinc/03/99/21/570039921.db2.gz ZQKSZZXVWWXPLP-DYYVLCRCSA-N 1 0 489.660 4.828 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@@H+]5CCCC[C@@H]35)CO4)c2=O)cc1 ZINC000229705182 570041117 /nfs/dbraw/zinc/04/11/17/570041117.db2.gz XPTWAYCLCYQFRO-NLFFAJNJSA-N 1 0 460.574 4.885 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000230077438 570044492 /nfs/dbraw/zinc/04/44/92/570044492.db2.gz HDBWJRWHMUNQDF-NGXZDTIWSA-N 1 0 465.663 4.962 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000239309004 570050517 /nfs/dbraw/zinc/05/05/17/570050517.db2.gz HDBWJRWHMUNQDF-WVQWTBLQSA-N 1 0 465.663 4.962 50 0 JJAARO COc1ccc(CC[C@]2(C)NC(=O)N(CN3CCCCC[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000245237280 570057245 /nfs/dbraw/zinc/05/72/45/570057245.db2.gz HTIWMWPYPKXARI-IGKIAQTJSA-N 1 0 465.594 4.522 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280358 570061792 /nfs/dbraw/zinc/06/17/92/570061792.db2.gz OASXBLJLLFEGDY-ILBGXUMGSA-N 1 0 479.621 4.566 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245280763 570061851 /nfs/dbraw/zinc/06/18/51/570061851.db2.gz SJVYFFQUYBHHCH-AZGAKELHSA-N 1 0 464.993 4.947 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281449 570062313 /nfs/dbraw/zinc/06/23/13/570062313.db2.gz ZOVBCGWOCXYJEF-UKILVPOCSA-N 1 0 497.611 4.785 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000245294803 570062620 /nfs/dbraw/zinc/06/26/20/570062620.db2.gz AKOLLWXEYMJPOJ-RSXGOPAZSA-N 1 0 469.601 4.557 50 0 JJAARO CCCC[C@@H](CC)C(=O)N1CCN(C(=O)CN2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000245329989 570066579 /nfs/dbraw/zinc/06/65/79/570066579.db2.gz WHYOHHLVFVDNSK-FQRUVTKNSA-N 1 0 485.669 4.722 50 0 JJAARO O=C(C[N@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@H]1COc1ccccc1 ZINC000247727233 570068984 /nfs/dbraw/zinc/06/89/84/570068984.db2.gz DJZUXWJSBLCUER-FTJBHMTQSA-N 1 0 476.642 4.699 50 0 JJAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H]1CCCO1 ZINC000247740188 570069109 /nfs/dbraw/zinc/06/91/09/570069109.db2.gz NJYHDSZVSJSJAV-JWQCQUIFSA-N 1 0 461.606 4.526 50 0 JJAARO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NC[C@H]1CCCO1 ZINC000247744116 570069134 /nfs/dbraw/zinc/06/91/34/570069134.db2.gz QAGZJFUVNPAQSD-UHSQPCAPSA-N 1 0 456.586 4.508 50 0 JJAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)cc1 ZINC000247916716 570071172 /nfs/dbraw/zinc/07/11/72/570071172.db2.gz WKXYDWFOPBVHPC-OAQYLSRUSA-N 1 0 472.564 4.702 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247918170 570071188 /nfs/dbraw/zinc/07/11/88/570071188.db2.gz WSTPVKIXBIFMRF-DEOSSOPVSA-N 1 0 468.601 4.622 50 0 JJAARO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1C ZINC000247983432 570072022 /nfs/dbraw/zinc/07/20/22/570072022.db2.gz HVGWNACFHCAUSV-XMMPIXPASA-N 1 0 473.665 4.795 50 0 JJAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000248005892 570072634 /nfs/dbraw/zinc/07/26/34/570072634.db2.gz PREUNHUAUXTNGI-NRFANRHFSA-N 1 0 480.056 4.831 50 0 JJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000248074315 570073592 /nfs/dbraw/zinc/07/35/92/570073592.db2.gz IACWTMTVMHYQCM-QFQXNSOFSA-N 1 0 481.706 4.890 50 0 JJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000248117340 570074332 /nfs/dbraw/zinc/07/43/32/570074332.db2.gz VSGIDOHNUYLSLK-AJTFRIOCSA-N 1 0 487.669 4.767 50 0 JJAARO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4nc5ccccc5n4CC)C3)CC2)cc1 ZINC000249681574 570078530 /nfs/dbraw/zinc/07/85/30/570078530.db2.gz BQMINEWIOKGJPM-DEOSSOPVSA-N 1 0 473.665 4.570 50 0 JJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000249693938 570078787 /nfs/dbraw/zinc/07/87/87/570078787.db2.gz OGHWQLFFWVMLOR-HXUWFJFHSA-N 1 0 499.581 4.636 50 0 JJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000249703360 570078956 /nfs/dbraw/zinc/07/89/56/570078956.db2.gz ZMGQSLLYFDMQMH-FQEVSTJZSA-N 1 0 499.581 4.636 50 0 JJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000249703361 570078968 /nfs/dbraw/zinc/07/89/68/570078968.db2.gz ZMGQSLLYFDMQMH-HXUWFJFHSA-N 1 0 499.581 4.636 50 0 JJAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(c4ccccc4C(C)C)CC3)C2)nc2ccccc21 ZINC000253607487 570104425 /nfs/dbraw/zinc/10/44/25/570104425.db2.gz VCEOWCRVODJWQQ-QHCPKHFHSA-N 1 0 473.665 4.740 50 0 JJAARO Cc1ccccc1Cn1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261492655 570170199 /nfs/dbraw/zinc/17/01/99/570170199.db2.gz YPTMLIVDDRFOSF-UHFFFAOYSA-N 1 0 454.603 4.856 50 0 JJAARO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000299766525 570175331 /nfs/dbraw/zinc/17/53/31/570175331.db2.gz JMOBASJMPCGTLB-IEWVHIKDSA-N 1 0 497.683 4.882 50 0 JJAARO CCN1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H](c4ccncc4)c4ccccc4C)CC3)cc2)CC1 ZINC000299784040 570176684 /nfs/dbraw/zinc/17/66/84/570176684.db2.gz WHTOLAPCADRDIE-PMERELPUSA-N 1 0 497.687 4.516 50 0 JJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccc(C)cc2C)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000299793337 570177174 /nfs/dbraw/zinc/17/71/74/570177174.db2.gz IOKBBGMSJHALND-AZGAKELHSA-N 1 0 480.649 4.523 50 0 JJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000001072942 194016741 /nfs/dbraw/zinc/01/67/41/194016741.db2.gz RMEBLBDZRGUWLZ-YLJYHZDGSA-N 1 0 458.484 4.836 50 0 JJAARO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NCC[NH+](C)C)n1 ZINC000002448904 194161241 /nfs/dbraw/zinc/16/12/41/194161241.db2.gz HTYAICNHFHZFFT-UHFFFAOYSA-N 1 0 459.685 4.985 50 0 JJAARO CC[NH+](CC)CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2c3ccccc3sc2c1=O ZINC000002961770 194181860 /nfs/dbraw/zinc/18/18/60/194181860.db2.gz HWLQJERZQQSDMC-UHFFFAOYSA-N 1 0 496.658 4.692 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F ZINC000002946902 194176430 /nfs/dbraw/zinc/17/64/30/194176430.db2.gz ZVVARXDCHRKJJZ-IAGOWNOFSA-N 1 0 471.955 4.967 50 0 JJAARO CCOC(=O)c1c(NC(=O)[C@@H](C)[NH2+]Cc2ccc(C)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000003293934 194268793 /nfs/dbraw/zinc/26/87/93/194268793.db2.gz CZIIJHSFKZWQFW-HXUWFJFHSA-N 1 0 491.657 4.908 50 0 JJAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000004100595 194377283 /nfs/dbraw/zinc/37/72/83/194377283.db2.gz CGLDXASLXYKRPB-UHFFFAOYSA-N 1 0 498.668 4.591 50 0 JJAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757268 194394776 /nfs/dbraw/zinc/39/47/76/194394776.db2.gz PNBGFSAKWIEBAY-XNMGPUDCSA-N 1 0 483.628 4.947 50 0 JJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757254 194394853 /nfs/dbraw/zinc/39/48/53/194394853.db2.gz NYXUZXLYMOPKAI-VPUSJEBWSA-N 1 0 481.612 4.557 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2C2CC[NH2+]CC2)cc1C ZINC000009227217 194614216 /nfs/dbraw/zinc/61/42/16/194614216.db2.gz SHZWDUCPWHVUSP-UHFFFAOYSA-N 1 0 471.649 4.535 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433452 194779572 /nfs/dbraw/zinc/77/95/72/194779572.db2.gz CLQXFPIAKJYUDT-RPWUZVMVSA-N 1 0 453.652 4.820 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]C3CCCC3)cc21 ZINC000009637161 194840071 /nfs/dbraw/zinc/84/00/71/194840071.db2.gz DGABMSMRPULNRM-JOCHJYFZSA-N 1 0 450.579 4.696 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)c2cccs2)CC1 ZINC000012602395 195047695 /nfs/dbraw/zinc/04/76/95/195047695.db2.gz JMXXZRHHGFAEMC-SFHVURJKSA-N 1 0 450.530 4.706 50 0 JJAARO Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c3ccccc3n2)c(C)c1 ZINC000012612851 195054281 /nfs/dbraw/zinc/05/42/81/195054281.db2.gz AJFCPNCFJXVBIJ-UHFFFAOYSA-N 1 0 451.574 4.918 50 0 JJAARO Cc1cc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c(C)n1-c1ccnn1C(C)C ZINC000012638793 195069106 /nfs/dbraw/zinc/06/91/06/195069106.db2.gz KGWZWOAARZCJBC-JXMROGBWSA-N 1 0 460.626 4.584 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012788226 195129621 /nfs/dbraw/zinc/12/96/21/195129621.db2.gz KVNLPLLRASZGIH-VXKWHMMOSA-N 1 0 462.421 4.701 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012788223 195129677 /nfs/dbraw/zinc/12/96/77/195129677.db2.gz KVNLPLLRASZGIH-FCHUYYIVSA-N 1 0 462.421 4.701 50 0 JJAARO c1ccc(SCc2nc3sc4c(c3c(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)n2)CCC4)cc1 ZINC000012894231 195174696 /nfs/dbraw/zinc/17/46/96/195174696.db2.gz AWXMUJFNNCJKCY-RXVVDRJESA-N 1 0 496.702 4.622 50 0 JJAARO O=C(C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020646096 195194919 /nfs/dbraw/zinc/19/49/19/195194919.db2.gz LSTVBGWYQKKAPR-UHFFFAOYSA-N 1 0 467.683 4.988 50 0 JJAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736377 195213045 /nfs/dbraw/zinc/21/30/45/195213045.db2.gz LTFGCPRYEZHTEL-XYGWBWBKSA-N 1 0 475.589 4.797 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000020678171 195203111 /nfs/dbraw/zinc/20/31/11/195203111.db2.gz SQHZFPSPTFLWEV-UHFFFAOYSA-N 1 0 497.643 4.700 50 0 JJAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000020678083 195203133 /nfs/dbraw/zinc/20/31/33/195203133.db2.gz FSRIEOJHMDLYDD-UHFFFAOYSA-N 1 0 484.044 4.563 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000020902856 195242294 /nfs/dbraw/zinc/24/22/94/195242294.db2.gz ZKCJKRTWSPWVTD-GDLZYMKVSA-N 1 0 478.681 4.959 50 0 JJAARO O=S(=O)(NCc1ccc(C[NH+]2CCCCCC2)o1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978101 195258490 /nfs/dbraw/zinc/25/84/90/195258490.db2.gz CUQGEWNGVZYPCB-UHFFFAOYSA-N 1 0 489.541 4.869 50 0 JJAARO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCC[C@H](C[N@@H+]2CCc3ccccc3C2)C1 ZINC000020978831 195258530 /nfs/dbraw/zinc/25/85/30/195258530.db2.gz LZISNHCCOQXLOV-OAQYLSRUSA-N 1 0 479.646 4.671 50 0 JJAARO COc1ccc(CC[N@H+](C)Cc2ccc(C(=O)N[C@H](C)c3cccc4ccccc43)c(=O)[nH]2)cc1OC ZINC000020992993 195262642 /nfs/dbraw/zinc/26/26/42/195262642.db2.gz ITFXZADGEOIALO-HXUWFJFHSA-N 1 0 499.611 4.711 50 0 JJAARO O=C(CC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000020994621 195263375 /nfs/dbraw/zinc/26/33/75/195263375.db2.gz CDDJAIOACBTRMX-MHZLTWQESA-N 1 0 452.558 4.719 50 0 JJAARO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c1 ZINC000021159758 195286534 /nfs/dbraw/zinc/28/65/34/195286534.db2.gz CZUWJIOAGCDVGO-UHFFFAOYSA-N 1 0 487.692 4.910 50 0 JJAARO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000021160361 195287147 /nfs/dbraw/zinc/28/71/47/195287147.db2.gz SZNZWSLOCOHPAQ-DEOSSOPVSA-N 1 0 487.692 4.990 50 0 JJAARO Fc1ccccc1[C@H](NCCC[NH+]1CCN(c2ccccc2)CC1)c1nnc(-c2ccccc2)o1 ZINC000021538378 195312508 /nfs/dbraw/zinc/31/25/08/195312508.db2.gz DSVIFJOZQGKPRI-SANMLTNESA-N 1 0 471.580 4.767 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)c(C)c2)CC1 ZINC000021465239 195302048 /nfs/dbraw/zinc/30/20/48/195302048.db2.gz ZGGZZFGWWIRTET-UHFFFAOYSA-N 1 0 461.585 4.593 50 0 JJAARO O=C(NCCc1c[nH]c2ccccc12)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000021525851 195304666 /nfs/dbraw/zinc/30/46/66/195304666.db2.gz DIONNEMLERNECL-UHFFFAOYSA-N 1 0 492.627 4.715 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000021808730 195324300 /nfs/dbraw/zinc/32/43/00/195324300.db2.gz UDAJGGZRKRZXAE-YPNSKOOJSA-N 1 0 498.737 4.980 50 0 JJAARO O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057622206 195353816 /nfs/dbraw/zinc/35/38/16/195353816.db2.gz XCKKMRSKPDBVBO-UHFFFAOYSA-N 1 0 475.614 4.511 50 0 JJAARO Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000058065294 195363975 /nfs/dbraw/zinc/36/39/75/195363975.db2.gz VOEQWGXEEQJZSA-GOSISDBHSA-N 1 0 464.616 4.889 50 0 JJAARO Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1C(=O)N1CCOCC1 ZINC000058179631 195372451 /nfs/dbraw/zinc/37/24/51/195372451.db2.gz SOXZIECQXIGSDN-UHFFFAOYSA-N 1 0 463.603 4.510 50 0 JJAARO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)C1 ZINC000058203068 195373491 /nfs/dbraw/zinc/37/34/91/195373491.db2.gz WKOAAGPKSFBHKS-HNNXBMFYSA-N 1 0 462.388 4.535 50 0 JJAARO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058248667 195375089 /nfs/dbraw/zinc/37/50/89/195375089.db2.gz JGZJPFRDENZGEL-SVBPBHIXSA-N 1 0 455.602 4.615 50 0 JJAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000021548952 195314871 /nfs/dbraw/zinc/31/48/71/195314871.db2.gz VQFUOKREVDXJJE-QHCPKHFHSA-N 1 0 465.619 4.813 50 0 JJAARO CC(C)CC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCc1ccccc1 ZINC000036149203 519652759 /nfs/dbraw/zinc/65/27/59/519652759.db2.gz FKTVRACDRXTYPP-SANMLTNESA-N 1 0 493.648 4.604 50 0 JJAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000014536040 519719435 /nfs/dbraw/zinc/71/94/35/519719435.db2.gz BBWKJNXJODWOGG-UHFFFAOYSA-N 1 0 474.527 4.555 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036306827 519773885 /nfs/dbraw/zinc/77/38/85/519773885.db2.gz GGBVMSNYIDJUPB-PKTZIBPZSA-N 1 0 497.611 4.785 50 0 JJAARO CC(C)[C@@H](CNc1ncnc2scc(-c3ccc(Br)cc3)c21)[NH+]1CCN(C)CC1 ZINC000022930958 519795223 /nfs/dbraw/zinc/79/52/23/519795223.db2.gz ZWMJQWGFVJRFRO-LJQANCHMSA-N 1 0 474.472 4.805 50 0 JJAARO CCC[N@@H+]1CCc2nc(SCc3nc(-c4ccc(OCC)c(OC)c4)oc3C)[nH]c(=O)c2C1 ZINC000033287194 519863727 /nfs/dbraw/zinc/86/37/27/519863727.db2.gz WXEMLZUBVRSIDL-UHFFFAOYSA-N 1 0 470.595 4.613 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146089 519880943 /nfs/dbraw/zinc/88/09/43/519880943.db2.gz OBJCWMGQDYCHLO-PMACEKPBSA-N 1 0 479.404 4.693 50 0 JJAARO CC1(C)CC(=O)c2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000004124511 520275493 /nfs/dbraw/zinc/27/54/93/520275493.db2.gz MFWNRTKWOYRENT-UHFFFAOYSA-N 1 0 484.040 4.685 50 0 JJAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1Cc1cccc(Cl)c1 ZINC000023361938 520532171 /nfs/dbraw/zinc/53/21/71/520532171.db2.gz JWNWSPPPZQZZOM-RPWUZVMVSA-N 1 0 458.046 4.567 50 0 JJAARO CCCCN1C(=O)CC[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1OC ZINC000022696225 520558283 /nfs/dbraw/zinc/55/82/83/520558283.db2.gz AOWAEJRCZRNETF-LSYYVWMOSA-N 1 0 477.649 4.687 50 0 JJAARO CC[NH+](CC)CCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065005992 520677959 /nfs/dbraw/zinc/67/79/59/520677959.db2.gz LLDNNDLZNAVQIH-NRFANRHFSA-N 1 0 490.648 4.750 50 0 JJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 ZINC000012411640 520691739 /nfs/dbraw/zinc/69/17/39/520691739.db2.gz ZBRBLIJZOTUVKM-UHFFFAOYSA-N 1 0 477.344 4.851 50 0 JJAARO CCC[C@@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309673 520797351 /nfs/dbraw/zinc/79/73/51/520797351.db2.gz JQUYVJWCCSVASF-QPPBQGQZSA-N 1 0 476.658 4.901 50 0 JJAARO CCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016751518 520909220 /nfs/dbraw/zinc/90/92/20/520909220.db2.gz QRHJDEHXIBIHCV-HSZRJFAPSA-N 1 0 452.526 4.608 50 0 JJAARO CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000014989284 520963601 /nfs/dbraw/zinc/96/36/01/520963601.db2.gz TVGUFKGMQVRYCD-UHFFFAOYSA-N 1 0 452.986 4.765 50 0 JJAARO CCC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309671 521182972 /nfs/dbraw/zinc/18/29/72/521182972.db2.gz JQUYVJWCCSVASF-URXFXBBRSA-N 1 0 476.658 4.901 50 0 JJAARO CCOc1ccc2nc(N3CCC([NH2+][C@H](Cn4cccn4)c4ccccc4)CC3)nc(C)c2c1 ZINC000014991051 521304241 /nfs/dbraw/zinc/30/42/41/521304241.db2.gz RERGNXPJWAUYQV-AREMUKBSSA-N 1 0 456.594 4.533 50 0 JJAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000008913860 521584587 /nfs/dbraw/zinc/58/45/87/521584587.db2.gz RFKZLDUGMFJZDQ-OAQYLSRUSA-N 1 0 486.410 4.822 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000065008932 521641042 /nfs/dbraw/zinc/64/10/42/521641042.db2.gz WWILPDVXOZIDIT-GOSISDBHSA-N 1 0 479.071 4.540 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036303895 521679488 /nfs/dbraw/zinc/67/94/88/521679488.db2.gz WEDLEBXYTBNDPK-QHCPKHFHSA-N 1 0 467.610 4.980 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036302209 521680189 /nfs/dbraw/zinc/68/01/89/521680189.db2.gz FDTKXKMFHYLWLQ-JOCHJYFZSA-N 1 0 453.583 4.591 50 0 JJAARO CC[NH+]1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccc3c(c2)OCO3)CC1 ZINC000038546598 521694691 /nfs/dbraw/zinc/69/46/91/521694691.db2.gz WIJPCCKQMDWZEM-VWLOTQADSA-N 1 0 493.629 4.928 50 0 JJAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(Br)cc3C)c3ccccc32)CC1 ZINC000020108115 521701426 /nfs/dbraw/zinc/70/14/26/521701426.db2.gz BPYPVKMRNPCCNG-UHFFFAOYSA-N 1 0 453.384 4.700 50 0 JJAARO COc1cc(CC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000026403089 522318847 /nfs/dbraw/zinc/31/88/47/522318847.db2.gz OSQOJCLQSWMVSA-UHFFFAOYSA-N 1 0 474.601 4.834 50 0 JJAARO COc1cc(CN2CC[NH+](CC(C)C)CC2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000022791430 522383790 /nfs/dbraw/zinc/38/37/90/522383790.db2.gz HDASWVDXTBNDAZ-UHFFFAOYSA-N 1 0 479.543 4.505 50 0 JJAARO COC(=O)c1sc2nc(C[NH+]3CCC(Cc4ccccc4)CC3)ccc2c1NC(=O)C1CC1 ZINC000014982201 522433959 /nfs/dbraw/zinc/43/39/59/522433959.db2.gz QPSLJUIOPQRJNU-UHFFFAOYSA-N 1 0 463.603 4.886 50 0 JJAARO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(NC(=O)C2CCCC2)cc1OC ZINC000012416790 522503418 /nfs/dbraw/zinc/50/34/18/522503418.db2.gz RQOFIKDBWUAXBS-QFIPXVFZSA-N 1 0 468.594 4.621 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021810708 522746248 /nfs/dbraw/zinc/74/62/48/522746248.db2.gz JTPZQKXLOULWKA-HHHXNRCGSA-N 1 0 468.642 4.552 50 0 JJAARO C[N@H+](CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)C1CCCCC1 ZINC000021729366 522765926 /nfs/dbraw/zinc/76/59/26/522765926.db2.gz YJQLKZDPUWCGPN-UHFFFAOYSA-N 1 0 462.638 4.908 50 0 JJAARO COCc1ccc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)o1 ZINC000012244228 522964011 /nfs/dbraw/zinc/96/40/11/522964011.db2.gz UIJARWJGDONLCU-XMMPIXPASA-N 1 0 493.652 4.716 50 0 JJAARO COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000022619310 523175800 /nfs/dbraw/zinc/17/58/00/523175800.db2.gz CHAMZLYRJOXHJB-NRFANRHFSA-N 1 0 486.041 4.613 50 0 JJAARO C[N@H+](Cc1cccc(OCCNC(=O)[C@H]2CCOC(C)(C)C2)c1)Cc1cccc2cccnc21 ZINC000014975966 523317261 /nfs/dbraw/zinc/31/72/61/523317261.db2.gz SDYQUDGZJARTDS-QHCPKHFHSA-N 1 0 461.606 4.567 50 0 JJAARO COc1ccc(-n2cc(C(=O)NCC[N@H+](Cc3ccco3)C3CCCC3)c3ccccc3c2=O)cc1 ZINC000020509008 523325996 /nfs/dbraw/zinc/32/59/96/523325996.db2.gz WYYDQYZJLPIWFH-UHFFFAOYSA-N 1 0 485.584 4.767 50 0 JJAARO Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CC[C@@H]([N@H+](C)Cc1nc(-c3ccccc3)cs1)C2 ZINC000014749785 523546929 /nfs/dbraw/zinc/54/69/29/523546929.db2.gz MJLZXXHPAWRIOD-HSZRJFAPSA-N 1 0 497.668 4.731 50 0 JJAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1nc(-c3ccccc3)cs1)C2 ZINC000014537725 523610375 /nfs/dbraw/zinc/61/03/75/523610375.db2.gz JZRUELMOSPIEGS-NRFANRHFSA-N 1 0 477.678 4.732 50 0 JJAARO CCc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000012330770 523698094 /nfs/dbraw/zinc/69/80/94/523698094.db2.gz QAPHYKWNFFPTAY-SANMLTNESA-N 1 0 471.645 4.919 50 0 JJAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000014743941 523717503 /nfs/dbraw/zinc/71/75/03/523717503.db2.gz VCLBUVSYQMYWAH-UHFFFAOYSA-N 1 0 490.991 4.956 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COCC(C)C ZINC000036306315 523734523 /nfs/dbraw/zinc/73/45/23/523734523.db2.gz LXDJMYZUNPBIEY-XMMPIXPASA-N 1 0 481.637 4.670 50 0 JJAARO CC[C@@]1(C2CC[NH+](Cc3cccc4ccccc43)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000014884285 523735880 /nfs/dbraw/zinc/73/58/80/523735880.db2.gz CMAMAPIOOAJBIA-MHZLTWQESA-N 1 0 476.646 4.760 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000036307437 523736289 /nfs/dbraw/zinc/73/62/89/523736289.db2.gz GBFYJUXYCMUUOH-QHCPKHFHSA-N 1 0 485.600 4.500 50 0 JJAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2CCCC2)C3=O)s1 ZINC000021809935 523846330 /nfs/dbraw/zinc/84/63/30/523846330.db2.gz LLALWLNLEUZCGS-MHZLTWQESA-N 1 0 484.710 4.805 50 0 JJAARO CCc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)cc1 ZINC000014994915 523927249 /nfs/dbraw/zinc/92/72/49/523927249.db2.gz GZNWPXWNZJQJEC-UHFFFAOYSA-N 1 0 457.549 4.507 50 0 JJAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+]([C@@H](C)Cc4cccc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000014744049 524019313 /nfs/dbraw/zinc/01/93/13/524019313.db2.gz RUBWIXDKQXLVRW-SFHVURJKSA-N 1 0 489.538 4.574 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](C/C=C/c4ccccc4)CC3)C2=O)cc1 ZINC000014532360 524019639 /nfs/dbraw/zinc/01/96/39/524019639.db2.gz QPCWFXPIGLCZCH-JXMROGBWSA-N 1 0 461.606 4.663 50 0 JJAARO COc1ccc(CN2C(=O)N(C)C3(CC[NH+](Cc4ccc(N(C)c5ccccc5)cc4)CC3)C2=O)cc1 ZINC000014749297 524019816 /nfs/dbraw/zinc/01/98/16/524019816.db2.gz IZZHXBLQZWETSH-UHFFFAOYSA-N 1 0 498.627 4.892 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CCSC)[NH2+][C@@]12C(=O)Nc1c2cccc1Cl ZINC000015973357 524238925 /nfs/dbraw/zinc/23/89/25/524238925.db2.gz RYEKETHKBNLDFV-QOAZOABKSA-N 1 0 480.417 4.519 50 0 JJAARO Cc1cc(C)c2nc(C)cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000033252880 524352841 /nfs/dbraw/zinc/35/28/41/524352841.db2.gz YVWZHPYUFHLHOL-UHFFFAOYSA-N 1 0 451.014 4.756 50 0 JJAARO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2cccs2)CC3)c1 ZINC000014993679 524369978 /nfs/dbraw/zinc/36/99/78/524369978.db2.gz GKIOWWZDPMAAFM-QFIPXVFZSA-N 1 0 451.640 4.532 50 0 JJAARO Cc1cccc(CNC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)c1 ZINC000033129376 524419153 /nfs/dbraw/zinc/41/91/53/524419153.db2.gz GPNYKSNUXRYXRN-UHFFFAOYSA-N 1 0 457.578 4.548 50 0 JJAARO COc1ccccc1CC[NH2+]C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000012247022 524421415 /nfs/dbraw/zinc/42/14/15/524421415.db2.gz FLEZWFRLDCFKAU-JOCHJYFZSA-N 1 0 457.618 4.987 50 0 JJAARO C[C@@H](CNS(=O)(=O)c1cccc2cccnc21)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012281419 524746745 /nfs/dbraw/zinc/74/67/45/524746745.db2.gz KWPGROOJRGOTSE-IBGZPJMESA-N 1 0 481.643 4.674 50 0 JJAARO Cc1ccccc1CNC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033129401 525154318 /nfs/dbraw/zinc/15/43/18/525154318.db2.gz YDFKOROXNUJQNK-UHFFFAOYSA-N 1 0 457.578 4.548 50 0 JJAARO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c(=O)n1Cc1ccco1 ZINC000022698347 525325397 /nfs/dbraw/zinc/32/53/97/525325397.db2.gz RBHHXDXSEJMALU-MUUNZHRXSA-N 1 0 469.585 4.943 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)C1 ZINC000021863317 525382565 /nfs/dbraw/zinc/38/25/65/525382565.db2.gz MISIYDDAZMPYOZ-KERYWQKISA-N 1 0 494.680 4.780 50 0 JJAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000036309537 525433112 /nfs/dbraw/zinc/43/31/12/525433112.db2.gz KSMMBAGXRONPML-SHQCIBLASA-N 1 0 492.685 4.875 50 0 JJAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000035461409 525675115 /nfs/dbraw/zinc/67/51/15/525675115.db2.gz RQCSRACEJIXYRQ-NRFANRHFSA-N 1 0 467.683 4.533 50 0 JJAARO Cc1ccc([C@@H](C)CC[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)o1 ZINC000014741490 525681330 /nfs/dbraw/zinc/68/13/30/525681330.db2.gz XISGYCFVAHFNFL-QFIPXVFZSA-N 1 0 486.616 4.976 50 0 JJAARO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)c1 ZINC000012371613 525704940 /nfs/dbraw/zinc/70/49/40/525704940.db2.gz DDTOXYXZWVFIFO-DYESRHJHSA-N 1 0 488.510 4.845 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000014997074 525748905 /nfs/dbraw/zinc/74/89/05/525748905.db2.gz DZNXLOKLUALMKE-XMMPIXPASA-N 1 0 480.634 4.632 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021855896 525791600 /nfs/dbraw/zinc/79/16/00/525791600.db2.gz WWUBDHIWTWEMET-HKBQPEDESA-N 1 0 498.671 4.969 50 0 JJAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(-c4ccccc4)cc2)CC3)c1 ZINC000014992504 525829073 /nfs/dbraw/zinc/82/90/73/525829073.db2.gz SUOLYEGGMFNHSH-OAQYLSRUSA-N 1 0 481.600 4.503 50 0 JJAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@@H](O)COc3ccccc3)n2)cc1Cl ZINC000036147833 525877061 /nfs/dbraw/zinc/87/70/61/525877061.db2.gz KLZZREUGUUWZRO-HXUWFJFHSA-N 1 0 467.953 4.776 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146331 525924001 /nfs/dbraw/zinc/92/40/01/525924001.db2.gz FAXDELZOWUIHHJ-AHKZPQOWSA-N 1 0 495.019 4.922 50 0 JJAARO COc1cccc(C[NH+]2CCC(NC(=O)CSc3cc(C)c(Br)cc3C)CC2)c1 ZINC000048236172 525933001 /nfs/dbraw/zinc/93/30/01/525933001.db2.gz AUFLDZCWTYUAIW-UHFFFAOYSA-N 1 0 477.468 4.947 50 0 JJAARO COc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305612 526241841 /nfs/dbraw/zinc/24/18/41/526241841.db2.gz JOMOONWWQWXPIR-HSZRJFAPSA-N 1 0 479.621 4.886 50 0 JJAARO O=C(NCC[NH+]1CCCCC1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020389273 526308115 /nfs/dbraw/zinc/30/81/15/526308115.db2.gz CZXGYIJWIAONMO-UHFFFAOYSA-N 1 0 485.657 4.988 50 0 JJAARO O=C(NCCc1ccccn1)[C@@H]1CC12CC[NH+](Cc1cccc(OCc3ccccc3)c1)CC2 ZINC000012455371 526433237 /nfs/dbraw/zinc/43/32/37/526433237.db2.gz RENJNBSBZKZBPF-MHZLTWQESA-N 1 0 455.602 4.622 50 0 JJAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(OCCO)cc2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012196544 526554521 /nfs/dbraw/zinc/55/45/21/526554521.db2.gz OPIMZKKXDBRAQH-SFHVURJKSA-N 1 0 450.501 4.707 50 0 JJAARO O=C(C[N@H+](C[C@H](O)Cc1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309078 526697348 /nfs/dbraw/zinc/69/73/48/526697348.db2.gz SAYMTBLKFDWUPX-SQHAQQRYSA-N 1 0 490.669 4.569 50 0 JJAARO O=C(c1ccc2cc[nH]c2c1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CC[NH+]2CCCCC2)C1 ZINC000014742712 526732179 /nfs/dbraw/zinc/73/21/79/526732179.db2.gz VSDXALMIFRMQNX-UHFFFAOYSA-N 1 0 498.602 4.820 50 0 JJAARO Cc1nc(C[N@@H+](C)[C@@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)cs1 ZINC000014978488 526844060 /nfs/dbraw/zinc/84/40/60/526844060.db2.gz AQEJIAGSHMLCEQ-LJQANCHMSA-N 1 0 462.644 4.552 50 0 JJAARO O=C1CC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000012454618 526991787 /nfs/dbraw/zinc/99/17/87/526991787.db2.gz OYXOPLPKQYLOHV-LJQANCHMSA-N 1 0 467.482 4.687 50 0 JJAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3cccc(F)c3)[N@H+]3CCC[C@@]123 ZINC000012434323 527037530 /nfs/dbraw/zinc/03/75/30/527037530.db2.gz RAIPEJBCNOERGN-PZGSVQSZSA-N 1 0 450.945 4.807 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3cc4ccccc4o3)CC2)N1CCc1ccccc1 ZINC000014743612 527039549 /nfs/dbraw/zinc/03/95/49/527039549.db2.gz MUGCAUDUGHRKFK-UHFFFAOYSA-N 1 0 494.595 4.870 50 0 JJAARO Cn1c(C[NH2+]C2CCN(c3cccc(NC(=O)C4CC4)c3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000012246277 527060543 /nfs/dbraw/zinc/06/05/43/527060543.db2.gz SCJOWNXKUFFDIQ-UHFFFAOYSA-N 1 0 471.527 4.699 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000014993180 527457182 /nfs/dbraw/zinc/45/71/82/527457182.db2.gz QIKROCYDRZSFSI-QGZVFWFLSA-N 1 0 488.510 4.706 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000014993182 527457842 /nfs/dbraw/zinc/45/78/42/527457842.db2.gz QIKROCYDRZSFSI-KRWDZBQOSA-N 1 0 488.510 4.706 50 0 JJAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)CC3 ZINC000014883539 527460795 /nfs/dbraw/zinc/46/07/95/527460795.db2.gz BMMGLYYNHOFRPC-SFHVURJKSA-N 1 0 463.553 4.723 50 0 JJAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc1CC2 ZINC000033266757 527550854 /nfs/dbraw/zinc/55/08/54/527550854.db2.gz KJOUDXBESISFPD-UHFFFAOYSA-N 1 0 456.615 4.870 50 0 JJAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)Cc1ccccc1 ZINC000036150907 527661388 /nfs/dbraw/zinc/66/13/88/527661388.db2.gz MEIVMTOPDVRYDJ-AREMUKBSSA-N 1 0 499.611 4.620 50 0 JJAARO Cc1nn(C)c(Cl)c1CN1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000012509920 527667192 /nfs/dbraw/zinc/66/71/92/527667192.db2.gz WRAMJSXDRIEVKS-UHFFFAOYSA-N 1 0 495.067 4.958 50 0 JJAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000020515306 527674830 /nfs/dbraw/zinc/67/48/30/527674830.db2.gz JFZIGSQNDQRLCN-JGCGQSQUSA-N 1 0 471.022 4.560 50 0 JJAARO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCCC1 ZINC000000727552 553774574 /nfs/dbraw/zinc/77/45/74/553774574.db2.gz VOIGRIONNTUWSQ-HNNXBMFYSA-N 1 0 452.190 4.776 50 0 JJAARO C[C@H]1CN(c2nc(-c3ccc(Cl)cc3)nnc2-c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000002050029 554010107 /nfs/dbraw/zinc/01/01/07/554010107.db2.gz ZLCACGSPGUYXIP-KBPBESRZSA-N 1 0 458.791 4.808 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002300043 554138959 /nfs/dbraw/zinc/13/89/59/554138959.db2.gz CQXQWVPQGZEITP-JSGCOSHPSA-N 1 0 463.957 4.720 50 0 JJAARO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1SCC[NH+]1CCCCC1 ZINC000002414489 554194176 /nfs/dbraw/zinc/19/41/76/554194176.db2.gz HUKSULNVUJNULC-UHFFFAOYSA-N 1 0 499.706 4.505 50 0 JJAARO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)c(OC)c1OC ZINC000002624240 554248238 /nfs/dbraw/zinc/24/82/38/554248238.db2.gz DPYURSACHOSWRT-GOSISDBHSA-N 1 0 451.991 4.669 50 0 JJAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C ZINC000002762047 554331849 /nfs/dbraw/zinc/33/18/49/554331849.db2.gz MSIBLVZAJQCATK-WUKNDPDISA-N 1 0 456.594 4.833 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000002890284 554408748 /nfs/dbraw/zinc/40/87/48/554408748.db2.gz ZDDVNPDYMJGXMP-QFIPXVFZSA-N 1 0 454.954 4.732 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000002890276 554408752 /nfs/dbraw/zinc/40/87/52/554408752.db2.gz HLACSDZGTZKRBA-OAQYLSRUSA-N 1 0 487.369 4.972 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000004123070 554475353 /nfs/dbraw/zinc/47/53/53/554475353.db2.gz XGVGQCGJHUVWID-UHFFFAOYSA-N 1 0 474.630 4.534 50 0 JJAARO CCCc1ccc(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000008431548 554584640 /nfs/dbraw/zinc/58/46/40/554584640.db2.gz BSIRHHAHRSVQCP-DEOSSOPVSA-N 1 0 486.612 4.540 50 0 JJAARO CCc1[nH+]c(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000008740072 554642061 /nfs/dbraw/zinc/64/20/61/554642061.db2.gz FOBHGICENKVURL-UTYLXRCDSA-N 1 0 480.649 4.902 50 0 biogenic JJAARO COc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)[NH+](C)C)cc1 ZINC000008762525 554662376 /nfs/dbraw/zinc/66/23/76/554662376.db2.gz JIHKVEBPGGQHQB-SANMLTNESA-N 1 0 454.574 4.640 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1 ZINC000008766570 554666912 /nfs/dbraw/zinc/66/69/12/554666912.db2.gz UCIOAOWXEZXYLF-OAQYLSRUSA-N 1 0 495.067 4.913 50 0 JJAARO Cc1nnc(Sc2cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)s1 ZINC000008813128 554695106 /nfs/dbraw/zinc/69/51/06/554695106.db2.gz CVDACWAPOJYXLM-IYBDPMFKSA-N 1 0 455.653 4.644 50 0 JJAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000008868667 554762357 /nfs/dbraw/zinc/76/23/57/554762357.db2.gz RMEBLBDZRGUWLZ-FXAWDEMLSA-N 1 0 458.484 4.836 50 0 JJAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(OC)cc3OC)=NN12 ZINC000008913859 554806804 /nfs/dbraw/zinc/80/68/04/554806804.db2.gz RFKZLDUGMFJZDQ-NRFANRHFSA-N 1 0 486.410 4.822 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3OC)cc2)CC1 ZINC000009111654 554899061 /nfs/dbraw/zinc/89/90/61/554899061.db2.gz DIGWSGOWRBTAHH-UHFFFAOYSA-N 1 0 481.600 4.942 50 0 JJAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(C)cc4)CC2)n3C)cc1 ZINC000009124480 554915897 /nfs/dbraw/zinc/91/58/97/554915897.db2.gz CZJCGJLVVFDPQV-UHFFFAOYSA-N 1 0 497.643 4.572 50 0 JJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)Nc5ccccc5)ccc4n3C)CC2)cc1 ZINC000009124683 554916045 /nfs/dbraw/zinc/91/60/45/554916045.db2.gz KWPHBOZIHHOUMK-UHFFFAOYSA-N 1 0 468.605 4.890 50 0 JJAARO CC[NH+](CC)CCN(C(=O)COc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000009151878 554939270 /nfs/dbraw/zinc/93/92/70/554939270.db2.gz PETWGHHNQQDNMF-UHFFFAOYSA-N 1 0 462.413 4.813 50 0 JJAARO C[NH+](C)CCCN(C(=O)c1cccc(Br)c1)c1nc2c(cc(F)cc2F)s1 ZINC000009151940 554939277 /nfs/dbraw/zinc/93/92/77/554939277.db2.gz WOKXPKPTRXQLMY-UHFFFAOYSA-N 1 0 454.340 4.936 50 0 JJAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)nc1CS(=O)(=O)c1ccccc1 ZINC000009212187 554982941 /nfs/dbraw/zinc/98/29/41/554982941.db2.gz DTQIONDWQRQFSV-UHFFFAOYSA-N 1 0 495.645 4.620 50 0 JJAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000009217634 554986248 /nfs/dbraw/zinc/98/62/48/554986248.db2.gz CQLSMTBESWJZFX-UHFFFAOYSA-N 1 0 454.530 4.581 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CC[NH2+]CC2)cc1Cl ZINC000009227285 555000106 /nfs/dbraw/zinc/00/01/06/555000106.db2.gz FDNYTQVOZAWWDZ-UHFFFAOYSA-N 1 0 476.911 4.540 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000009227570 555000558 /nfs/dbraw/zinc/00/05/58/555000558.db2.gz YTXGBUYPOGRJGH-UHFFFAOYSA-N 1 0 450.583 4.817 50 0 JJAARO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3-n3cccc3)C2)cc1 ZINC000009251652 555026077 /nfs/dbraw/zinc/02/60/77/555026077.db2.gz APUJIWJYFIULBB-JOCHJYFZSA-N 1 0 469.589 4.912 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)CC1 ZINC000009265197 555040810 /nfs/dbraw/zinc/04/08/10/555040810.db2.gz XFNWLTRRZWNADD-UHFFFAOYSA-N 1 0 481.568 4.787 50 0 JJAARO O=S(=O)(NCC[N@H+](Cc1ccco1)C1CCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268836 555044071 /nfs/dbraw/zinc/04/40/71/555044071.db2.gz VANZUXUUFBDCNH-UHFFFAOYSA-N 1 0 489.541 4.738 50 0 JJAARO Cc1nn([C@@H](C)C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2c3ccccc3sc21 ZINC000009288973 555062869 /nfs/dbraw/zinc/06/28/69/555062869.db2.gz UPBDGIIRYYVLTF-FQEVSTJZSA-N 1 0 476.646 4.898 50 0 JJAARO CC[C@@H](C(=O)NCCC[N@H+](CC)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289351 555063727 /nfs/dbraw/zinc/06/37/27/555063727.db2.gz RLDIEDXPMOXHJI-QFIPXVFZSA-N 1 0 476.646 4.899 50 0 JJAARO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NCC[NH+](C)C)c(=O)oc12 ZINC000009305068 555078325 /nfs/dbraw/zinc/07/83/25/555078325.db2.gz MPFPTCHMXZXRMH-UHFFFAOYSA-N 1 0 452.938 4.697 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3C[NH+]3CCCC3)c2)cc1 ZINC000009338460 555106670 /nfs/dbraw/zinc/10/66/70/555106670.db2.gz BITFXOIPIMPDSL-UHFFFAOYSA-N 1 0 477.630 4.630 50 0 JJAARO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009377054 555138309 /nfs/dbraw/zinc/13/83/09/555138309.db2.gz WAADQPQMVJXNCU-DEOSSOPVSA-N 1 0 476.042 4.584 50 0 JJAARO C[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009378849 555140787 /nfs/dbraw/zinc/14/07/87/555140787.db2.gz AFFQVJARVUBEQL-JPYJTQIMSA-N 1 0 470.573 4.711 50 0 JJAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c(C)c12 ZINC000009407814 555169440 /nfs/dbraw/zinc/16/94/40/555169440.db2.gz RBAJUDAAIPDVSK-JOCHJYFZSA-N 1 0 459.638 4.659 50 0 JJAARO CC1CC[NH+](CCCn2c(=O)c3ccccc3nc2SCC(=O)Nc2ccccc2Cl)CC1 ZINC000009472831 555255691 /nfs/dbraw/zinc/25/56/91/555255691.db2.gz KIQMPLDUQLNUGR-UHFFFAOYSA-N 1 0 485.053 4.903 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000009637347 555345083 /nfs/dbraw/zinc/34/50/83/555345083.db2.gz CTKSAKNVZLWSGC-UHFFFAOYSA-N 1 0 492.689 4.927 50 0 JJAARO C[C@H]([NH2+]Cc1cc(Br)ccc1OCC(=O)NCc1ccccc1)c1ccccc1 ZINC000013153142 555359418 /nfs/dbraw/zinc/35/94/18/555359418.db2.gz ILDGMUUMFPEELX-SFHVURJKSA-N 1 0 453.380 4.995 50 0 JJAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000009598003 555415389 /nfs/dbraw/zinc/41/53/89/555415389.db2.gz ZJKLNCOOAYOMNM-SZPZYZBQSA-N 1 0 493.696 4.736 50 0 JJAARO 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 555440437 /nfs/dbraw/zinc/44/04/37/555440437.db2.gz WWSRNBAJYCKKNU-DEOSSOPVSA-N 1 0 475.681 4.989 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)cc2)CC1 ZINC000009716995 555450922 /nfs/dbraw/zinc/45/09/22/555450922.db2.gz NJQZMCLJTWKOJP-UHFFFAOYSA-N 1 0 494.705 4.869 50 0 JJAARO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c(C)c1 ZINC000019891075 555530117 /nfs/dbraw/zinc/53/01/17/555530117.db2.gz BRRPHGNUERWFRZ-UHFFFAOYSA-N 1 0 479.632 4.721 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000013607148 555531300 /nfs/dbraw/zinc/53/13/00/555531300.db2.gz GMFSZWFKYGVOPH-PUWQJRQGSA-N 1 0 486.955 4.977 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000013607145 555531336 /nfs/dbraw/zinc/53/13/36/555531336.db2.gz GMFSZWFKYGVOPH-KPGAXOGXSA-N 1 0 486.955 4.977 50 0 JJAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000009849741 555552056 /nfs/dbraw/zinc/55/20/56/555552056.db2.gz ZQELPLOTNSPWOF-UHFFFAOYSA-N 1 0 475.555 4.665 50 0 JJAARO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035829 555610207 /nfs/dbraw/zinc/61/02/07/555610207.db2.gz LONHDMCVZUSNEC-PMACEKPBSA-N 1 0 460.574 4.914 50 0 JJAARO C[NH+](C)CCCN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2cc3c(cc2s1)OCO3 ZINC000010068123 555614331 /nfs/dbraw/zinc/61/43/31/555614331.db2.gz ZSLCULYWFOPMOL-UHFFFAOYSA-N 1 0 482.389 4.696 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066943 555614424 /nfs/dbraw/zinc/61/44/24/555614424.db2.gz GTZIGNIVKKOGHL-UHFFFAOYSA-N 1 0 465.619 4.935 50 0 JJAARO CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000013844370 555633250 /nfs/dbraw/zinc/63/32/50/555633250.db2.gz OKTCAOHXJYGKFK-OMXZAMMBSA-N 1 0 480.697 4.506 50 0 JJAARO Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)NCC[NH+](C)C)cc1 ZINC000013858083 555636122 /nfs/dbraw/zinc/63/61/22/555636122.db2.gz UNBKZDOBEJSLCD-LJAQVGFWSA-N 1 0 480.612 4.756 50 0 JJAARO Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)NCC[NH+](C)C)cc1 ZINC000013858082 555636190 /nfs/dbraw/zinc/63/61/90/555636190.db2.gz UNBKZDOBEJSLCD-GDLZYMKVSA-N 1 0 480.612 4.756 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@H]34)CC2)c1 ZINC000020105038 555638068 /nfs/dbraw/zinc/63/80/68/555638068.db2.gz RJWWKNZVXLXJPL-XZWHSSHBSA-N 1 0 493.651 4.860 50 0 JJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cc4ccccc4Br)ccc3n2)CC1 ZINC000020108643 555643805 /nfs/dbraw/zinc/64/38/05/555643805.db2.gz IXBJNDSFMJYTDH-UHFFFAOYSA-N 1 0 467.411 4.629 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2cccs2)CC1 ZINC000014071830 555679136 /nfs/dbraw/zinc/67/91/36/555679136.db2.gz NXULPIUWGDSERP-HXUWFJFHSA-N 1 0 480.600 4.968 50 0 JJAARO COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2N(C)C1=O ZINC000020179762 555685635 /nfs/dbraw/zinc/68/56/35/555685635.db2.gz UMDOHJYWRFJAPW-RWNXYXOXSA-N 1 0 493.673 4.903 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000020181282 555688208 /nfs/dbraw/zinc/68/82/08/555688208.db2.gz CCIUBCIXPATJTR-GVRUPNCLSA-N 1 0 463.647 4.856 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[N@@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000020181289 555688235 /nfs/dbraw/zinc/68/82/35/555688235.db2.gz ZBPSIAFPAOMSDD-NLRVBDNBSA-N 1 0 471.626 4.723 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)nc1 ZINC000014138709 555705008 /nfs/dbraw/zinc/70/50/08/555705008.db2.gz OBVLJSOOGPWQLU-DEOSSOPVSA-N 1 0 480.634 4.554 50 0 JJAARO C[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cccc2ccccc21 ZINC000014142344 555707882 /nfs/dbraw/zinc/70/78/82/555707882.db2.gz LVQGXQWSPJWOPJ-KRWDZBQOSA-N 1 0 472.010 4.567 50 0 JJAARO COc1ccc([C@H](C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000014142424 555707898 /nfs/dbraw/zinc/70/78/98/555707898.db2.gz NSQXEKXLPZFDLY-MBSDFSHPSA-N 1 0 471.557 4.696 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)[NH+]2CCCC2)cc1 ZINC000014161269 555716176 /nfs/dbraw/zinc/71/61/76/555716176.db2.gz VTRPEYKANLGWKH-MHZLTWQESA-N 1 0 481.600 4.569 50 0 JJAARO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([N@H+](C)Cc2ccccc2)C4)c1 ZINC000020233521 555724557 /nfs/dbraw/zinc/72/45/57/555724557.db2.gz MQGMEZUMQICJGF-NRFANRHFSA-N 1 0 459.615 4.699 50 0 JJAARO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000014186153 555727182 /nfs/dbraw/zinc/72/71/82/555727182.db2.gz RREOJMQSTUSCGT-QHCPKHFHSA-N 1 0 486.572 4.716 50 0 JJAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N3CC[NH+](C4CCCCC4)CC3)c(C)c12 ZINC000020282836 555752529 /nfs/dbraw/zinc/75/25/29/555752529.db2.gz WESPAQMMHTWBRU-UHFFFAOYSA-N 1 0 459.638 4.755 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020508543 555792003 /nfs/dbraw/zinc/79/20/03/555792003.db2.gz LBPCMQHXRCHVBN-VEXUSMLFSA-N 1 0 451.636 4.572 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000011652464 555794447 /nfs/dbraw/zinc/79/44/47/555794447.db2.gz YYNLZHXGEQJXFC-FGZHOGPDSA-N 1 0 462.421 4.701 50 0 JJAARO CC[C@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532132 555800103 /nfs/dbraw/zinc/80/01/03/555800103.db2.gz KVBYLEZRFGLCJB-SFHVURJKSA-N 1 0 484.622 4.825 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000020532246 555801316 /nfs/dbraw/zinc/80/13/16/555801316.db2.gz KCBCOSNJWLDXHJ-INIZCTEOSA-N 1 0 454.596 4.817 50 0 JJAARO O=C(NCCc1ccccc1F)c1cc2cc(C3(O)CC[NH+](Cc4ccco4)CC3)ccc2o1 ZINC000011782621 555813283 /nfs/dbraw/zinc/81/32/83/555813283.db2.gz ZBXIEPRGCDUVJX-UHFFFAOYSA-N 1 0 462.521 4.621 50 0 JJAARO O=C(Nc1ccc(N2CCC([NH2+]CCc3c[nH]c4ccccc34)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000011784039 555815602 /nfs/dbraw/zinc/81/56/02/555815602.db2.gz QLTVNMTZTUCXHH-UHFFFAOYSA-N 1 0 482.584 4.950 50 0 JJAARO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1C1Cc2ccccc2C1 ZINC000011785179 555817442 /nfs/dbraw/zinc/81/74/42/555817442.db2.gz KZJWWSQIPPFRQA-BVAGGSTKSA-N 1 0 498.652 4.590 50 0 JJAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000014530803 555817577 /nfs/dbraw/zinc/81/75/77/555817577.db2.gz WNUZBZWGXUTGIK-UHFFFAOYSA-N 1 0 469.585 4.733 50 0 JJAARO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000014531757 555819282 /nfs/dbraw/zinc/81/92/82/555819282.db2.gz YBLDSMKKCBUONR-LOSJGSFVSA-N 1 0 473.592 4.836 50 0 JJAARO CSc1ccccc1C(=O)N1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000011786365 555819570 /nfs/dbraw/zinc/81/95/70/555819570.db2.gz BMKLUDRGXSRPBL-UHFFFAOYSA-N 1 0 489.641 4.882 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4ccc(F)c(OC)c4)CC3)C2=O)c1 ZINC000014532673 555820714 /nfs/dbraw/zinc/82/07/14/555820714.db2.gz HIUGVSYCJXLSEK-UHFFFAOYSA-N 1 0 497.611 4.688 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccc(Cl)cc3)CC2)N1Cc1ccccc1 ZINC000014533941 555822267 /nfs/dbraw/zinc/82/22/67/555822267.db2.gz NNFFDPPYERUBQZ-UHFFFAOYSA-N 1 0 474.992 4.734 50 0 JJAARO CC(C)C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000011788135 555822420 /nfs/dbraw/zinc/82/24/20/555822420.db2.gz YXZAPIPJPMDJPW-HXUWFJFHSA-N 1 0 463.607 4.661 50 0 JJAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000014534052 555822493 /nfs/dbraw/zinc/82/24/93/555822493.db2.gz XKXVYDDFZAZLBA-UHFFFAOYSA-N 1 0 487.600 4.782 50 0 JJAARO CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)N(C)CCC[NH+]3CCCCC3)c21 ZINC000011789559 555824535 /nfs/dbraw/zinc/82/45/35/555824535.db2.gz DBFSHPULGCEBNM-UHFFFAOYSA-N 1 0 491.636 4.638 50 0 JJAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)c3C3CC3)n2)o1 ZINC000011815449 555830194 /nfs/dbraw/zinc/83/01/94/555830194.db2.gz CZDBPDKWEGAGJK-UHFFFAOYSA-N 1 0 482.588 4.503 50 0 JJAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011839166 555832564 /nfs/dbraw/zinc/83/25/64/555832564.db2.gz JASUUFWBXBFJLO-UHFFFAOYSA-N 1 0 453.501 4.548 50 0 JJAARO Cc1occc1C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020600095 555841251 /nfs/dbraw/zinc/84/12/51/555841251.db2.gz GSFBGQZHAFTZCD-FQEVSTJZSA-N 1 0 469.589 4.704 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccc(F)cc2F)C4)cs1 ZINC000015004561 555849497 /nfs/dbraw/zinc/84/94/97/555849497.db2.gz ZHIJBSHSMYNHFS-WBMJQRKESA-N 1 0 472.586 4.758 50 0 JJAARO COc1cccc(C[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)c1OC ZINC000015006829 555851231 /nfs/dbraw/zinc/85/12/31/555851231.db2.gz RRCWLXWLWQIDFX-NRFANRHFSA-N 1 0 473.617 4.953 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccc(F)c(F)c1)Sc1ccccc1-2 ZINC000011910536 555858001 /nfs/dbraw/zinc/85/80/01/555858001.db2.gz RZDWWCXRRAVIPG-RUZDIDTESA-N 1 0 497.611 4.885 50 0 JJAARO Cc1cc(C)cc(C(=O)N[C@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccsc2)CC3)c1 ZINC000011910901 555858354 /nfs/dbraw/zinc/85/83/54/555858354.db2.gz PEPWKEQWILDPTJ-JOCHJYFZSA-N 1 0 451.640 4.532 50 0 JJAARO COc1ccc(-c2nn(CN3CCC[N@H+](C)CC3)c(=S)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000022039127 555865541 /nfs/dbraw/zinc/86/55/41/555865541.db2.gz SIROFIQLPGOTBZ-UHFFFAOYSA-N 1 0 477.556 4.693 50 0 JJAARO Cc1cccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccc3Cl)CC[C@H]2N2CCOCC2)c1 ZINC000015067922 555867992 /nfs/dbraw/zinc/86/79/92/555867992.db2.gz BUOZGHNMCHJNCF-WIOPSUGQSA-N 1 0 456.030 4.590 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH+](Cc1cnn(-c3ccc(F)cc3)c1)CC2 ZINC000012051988 555896261 /nfs/dbraw/zinc/89/62/61/555896261.db2.gz UROLGCIPUSSNGI-QHCPKHFHSA-N 1 0 486.513 4.949 50 0 JJAARO COC(=O)CC[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000012054336 555897938 /nfs/dbraw/zinc/89/79/38/555897938.db2.gz AUTXDQHJVNDOFP-LBNVMWSVSA-N 1 0 489.635 4.945 50 0 JJAARO COC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)CCCCc2ccccc2)CCO3)C1 ZINC000012098714 555905628 /nfs/dbraw/zinc/90/56/28/555905628.db2.gz YKFRVXBTWCQPNW-RUZDIDTESA-N 1 0 450.623 4.679 50 0 JJAARO C[C@@H]([NH2+]C1CCN(c2ccc(CC(=O)N3CCC(O)CC3)cc2)CC1)c1cccc2ccccc21 ZINC000012098924 555906134 /nfs/dbraw/zinc/90/61/34/555906134.db2.gz UEPDPMGAXUFGNO-JOCHJYFZSA-N 1 0 471.645 4.685 50 0 JJAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000012099573 555907162 /nfs/dbraw/zinc/90/71/62/555907162.db2.gz LAQKQPILOTZRJO-HSZRJFAPSA-N 1 0 453.026 4.807 50 0 JJAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc3cc(C)ccc3n(Cc3cccc(F)c3)c2=O)C1 ZINC000012150330 555922518 /nfs/dbraw/zinc/92/25/18/555922518.db2.gz OPAABTNXXXBJAO-QFIPXVFZSA-N 1 0 463.597 4.578 50 0 JJAARO COc1cccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)c1 ZINC000012151850 555925194 /nfs/dbraw/zinc/92/51/94/555925194.db2.gz VKJYXISLVLCCBQ-RUZDIDTESA-N 1 0 494.661 4.935 50 0 JJAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NC(C)(C)CO ZINC000012161361 555930819 /nfs/dbraw/zinc/93/08/19/555930819.db2.gz JVXPRKQBTFCTBH-IBGZPJMESA-N 1 0 452.620 4.874 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CC[NH+]1CCCCCC1 ZINC000015675653 555934140 /nfs/dbraw/zinc/93/41/40/555934140.db2.gz RLKFDBMIHDECQV-MHZLTWQESA-N 1 0 468.642 4.554 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCCC1 ZINC000015675645 555934182 /nfs/dbraw/zinc/93/41/82/555934182.db2.gz CBERWZIDFXAEGN-NDEPHWFRSA-N 1 0 482.669 4.944 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC([C@H](Cc3ccc(F)cc3F)N(C)C(=O)c3ccco3)CC2)c1C ZINC000012183850 555936084 /nfs/dbraw/zinc/93/60/84/555936084.db2.gz IQBHJXSOFOBESK-VWLOTQADSA-N 1 0 484.591 4.987 50 0 JJAARO COc1ccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3-c3cccc(OC)c3)CC2)cc1 ZINC000012190830 555938229 /nfs/dbraw/zinc/93/82/29/555938229.db2.gz UTAYTLAKQOISHS-VWLOTQADSA-N 1 0 494.661 4.935 50 0 JJAARO COc1cc(/C=C/C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)ccc1O ZINC000012212501 555943744 /nfs/dbraw/zinc/94/37/44/555943744.db2.gz UQDPYIVWSCETHA-KSYRPNBMSA-N 1 0 488.584 4.541 50 0 JJAARO CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccsc4)CC3)ccc2o1 ZINC000012247804 555946942 /nfs/dbraw/zinc/94/69/42/555946942.db2.gz QVSLQOFXMYXGNQ-UHFFFAOYSA-N 1 0 475.614 4.688 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)cc1Cl ZINC000015726889 555965854 /nfs/dbraw/zinc/96/58/54/555965854.db2.gz KEPFJWSNWOWUKT-UHFFFAOYSA-N 1 0 454.958 4.571 50 0 JJAARO CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000022917362 555971032 /nfs/dbraw/zinc/97/10/32/555971032.db2.gz OKEVRMGLLLNFOE-UHFFFAOYSA-N 1 0 471.649 4.516 50 0 JJAARO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)C1 ZINC000015732342 555976638 /nfs/dbraw/zinc/97/66/38/555976638.db2.gz MIIUCLIZZUYABV-NRFANRHFSA-N 1 0 492.689 4.782 50 0 JJAARO O=C(c1ccc(F)cc1)N1CCCC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022925053 555977458 /nfs/dbraw/zinc/97/74/58/555977458.db2.gz WGEJWSOSHNTBRB-MHZLTWQESA-N 1 0 485.603 4.754 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000015770456 555988750 /nfs/dbraw/zinc/98/87/50/555988750.db2.gz QWONGMAVSYKWHE-FQEVSTJZSA-N 1 0 484.069 4.590 50 0 JJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2ccc3ccccc32)s1 ZINC000022937354 555990071 /nfs/dbraw/zinc/99/00/71/555990071.db2.gz ALGHNDLADUYKEB-UHFFFAOYSA-N 1 0 458.631 4.630 50 0 JJAARO COc1ccc(CN2CC[NH+](CCOc3ccccc3-c3ccccc3)CC2)c(OC)c1OC ZINC000022942859 555993011 /nfs/dbraw/zinc/99/30/11/555993011.db2.gz RIYWGXGJVNASNF-UHFFFAOYSA-N 1 0 462.590 4.576 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(C)c32)CC1 ZINC000015776120 555995847 /nfs/dbraw/zinc/99/58/47/555995847.db2.gz BQUWYFHSZXTGHR-UHFFFAOYSA-N 1 0 463.529 4.803 50 0 JJAARO O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012533976 556006177 /nfs/dbraw/zinc/00/61/77/556006177.db2.gz JYJJHNMBMATCLV-UHFFFAOYSA-N 1 0 488.592 4.795 50 0 JJAARO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)ccc1OCc1ccncc1 ZINC000023110704 556010549 /nfs/dbraw/zinc/01/05/49/556010549.db2.gz NNHRTXQHHNWYRM-UHFFFAOYSA-N 1 0 474.605 4.762 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccco1 ZINC000012538366 556011823 /nfs/dbraw/zinc/01/18/23/556011823.db2.gz DJPGBNDYZLWSGG-OAQYLSRUSA-N 1 0 495.674 4.804 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)[NH+]2CCCC2)c1 ZINC000023235359 556032930 /nfs/dbraw/zinc/03/29/30/556032930.db2.gz VDIGVRLKAUMUKZ-HHHXNRCGSA-N 1 0 452.558 4.872 50 0 JJAARO CCOC(=O)c1nn(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)c2c1Cc1ccccc1-2 ZINC000023448614 556064186 /nfs/dbraw/zinc/06/41/86/556064186.db2.gz OEQXWZJBTWTPKW-HXUWFJFHSA-N 1 0 488.632 4.861 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccccc1C(F)(F)F ZINC000012572478 556074003 /nfs/dbraw/zinc/07/40/03/556074003.db2.gz BAMPKPFGOJQBMY-MRXNPFEDSA-N 1 0 454.876 4.758 50 0 JJAARO COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)cc1OC ZINC000023622809 556080209 /nfs/dbraw/zinc/08/02/09/556080209.db2.gz OPUJVUVDBZRZMF-UHFFFAOYSA-N 1 0 457.368 4.773 50 0 JJAARO CCc1[nH+]c(C)cc(NCC(=O)[C@@]2(O)CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)c1O ZINC000012655062 556098772 /nfs/dbraw/zinc/09/87/72/556098772.db2.gz FOBHGICENKVURL-HSONZMSHSA-N 1 0 480.649 4.902 50 0 biogenic JJAARO O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000012914344 556133340 /nfs/dbraw/zinc/13/33/40/556133340.db2.gz QCSJHYDLWDYRGR-HSZRJFAPSA-N 1 0 495.624 4.590 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)[NH+](C)C)c1 ZINC000012922744 556141650 /nfs/dbraw/zinc/14/16/50/556141650.db2.gz XRSGMRIRLBCAHT-AREMUKBSSA-N 1 0 454.574 4.640 50 0 JJAARO O=C(COc1cccc(Oc2ccccn2)c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000024836113 556159045 /nfs/dbraw/zinc/15/90/45/556159045.db2.gz YNVAJWLRYJYHPX-QHCPKHFHSA-N 1 0 451.954 4.859 50 0 JJAARO O=C(CSc1ccccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000025051105 556174556 /nfs/dbraw/zinc/17/45/56/556174556.db2.gz HUISWGPQGKIRIS-QFIPXVFZSA-N 1 0 463.578 4.561 50 0 JJAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025150746 556191490 /nfs/dbraw/zinc/19/14/90/556191490.db2.gz NTVZOTYGZQNUTJ-GOSISDBHSA-N 1 0 462.623 4.784 50 0 JJAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025150749 556191517 /nfs/dbraw/zinc/19/15/17/556191517.db2.gz NTVZOTYGZQNUTJ-SFHVURJKSA-N 1 0 462.623 4.784 50 0 JJAARO C[NH+](C)CCNC(=O)/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)NC(=O)c1ccccc1 ZINC000027061921 556273246 /nfs/dbraw/zinc/27/32/46/556273246.db2.gz XXCIUPFKOOHBTN-RCCKNPSSSA-N 1 0 472.372 4.702 50 0 JJAARO COc1ccc(-c2nc3cc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)ccc3[nH]2)cc1OC ZINC000027208988 556275105 /nfs/dbraw/zinc/27/51/05/556275105.db2.gz BMRRDFCQNOZNNR-UHFFFAOYSA-N 1 0 468.561 4.542 50 0 JJAARO COc1cccc([C@H](CNC(=O)COc2ccc(C3SCCCS3)cc2)[NH+]2CCCC2)c1 ZINC000027341468 556276564 /nfs/dbraw/zinc/27/65/64/556276564.db2.gz NCGHNLSXDWYMOU-QHCPKHFHSA-N 1 0 472.676 4.896 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)C1 ZINC000013110931 556312045 /nfs/dbraw/zinc/31/20/45/556312045.db2.gz CEGAPRIZWVWVHJ-BGYRXZFFSA-N 1 0 460.574 4.629 50 0 JJAARO Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000013113467 556318171 /nfs/dbraw/zinc/31/81/71/556318171.db2.gz BFUJAZRZEOHCFQ-UHFFFAOYSA-N 1 0 456.565 4.800 50 0 JJAARO C[NH+](C)Cc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cc1 ZINC000013120364 556332866 /nfs/dbraw/zinc/33/28/66/556332866.db2.gz DQIXMURTWIOSIW-UHFFFAOYSA-N 1 0 479.675 4.926 50 0 JJAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(C2CCCCC2)c1CN1CC[NH+](C)CC1 ZINC000019371102 556346938 /nfs/dbraw/zinc/34/69/38/556346938.db2.gz AGLFMUJXQHNTRR-UHFFFAOYSA-N 1 0 478.431 4.539 50 0 biogenic JJAARO CCn1c(SCC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nnc1-c1ccccc1C ZINC000029342098 556350707 /nfs/dbraw/zinc/35/07/07/556350707.db2.gz CGRGKVUKBKFXRD-UHFFFAOYSA-N 1 0 477.678 4.914 50 0 JJAARO CCOc1ccccc1N1CC[NH+](Cc2cc3ccc(Cl)cc3n(Cc3ccccn3)c2=O)CC1 ZINC000019720345 556361848 /nfs/dbraw/zinc/36/18/48/556361848.db2.gz KRYKZCFDZPAYNM-UHFFFAOYSA-N 1 0 489.019 4.819 50 0 JJAARO Cc1ccccc1-c1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)cc1 ZINC000019741416 556364631 /nfs/dbraw/zinc/36/46/31/556364631.db2.gz VETACPNKTWDBGX-MUUNZHRXSA-N 1 0 494.643 4.834 50 0 JJAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCC2)cc1 ZINC000032622388 556452163 /nfs/dbraw/zinc/45/21/63/556452163.db2.gz TXQDHJKMFAYTMZ-OAQYLSRUSA-N 1 0 454.368 4.979 50 0 JJAARO COC(=O)c1cn(C)c(-c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)c1C(=O)OC ZINC000032926663 556543889 /nfs/dbraw/zinc/54/38/89/556543889.db2.gz FHKJQEPJUSNVML-UHFFFAOYSA-N 1 0 489.572 4.504 50 0 JJAARO CCC(=O)Nc1nc2ccc(CC(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cc2s1 ZINC000032959687 556576305 /nfs/dbraw/zinc/57/63/05/556576305.db2.gz BAMCANCGTYXKNE-UHFFFAOYSA-N 1 0 464.635 4.524 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C(=O)OC)cc2)C1 ZINC000008590255 562942585 /nfs/dbraw/zinc/94/25/85/562942585.db2.gz LHPPYLHMMDGYTL-INIZCTEOSA-N 1 0 452.580 4.586 50 0 JJAARO CCOC(=O)c1cccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000008590195 562942593 /nfs/dbraw/zinc/94/25/93/562942593.db2.gz DMDSURZRBVWVKZ-INIZCTEOSA-N 1 0 452.580 4.586 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)C1 ZINC000008680293 562950827 /nfs/dbraw/zinc/95/08/27/562950827.db2.gz CEGAPRIZWVWVHJ-WOJBJXKFSA-N 1 0 460.574 4.629 50 0 JJAARO COc1ccc(CN2CCOc3ccc(C[NH+]4CCC(O)(c5cccnc5)CC4)cc3C2)c(C)c1C ZINC000012027237 562958684 /nfs/dbraw/zinc/95/86/84/562958684.db2.gz IXRIBDDMALBTME-UHFFFAOYSA-N 1 0 487.644 4.585 50 0 JJAARO CCOCCCNC(=O)COc1ccc(-c2ccsc2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000055072460 569590729 /nfs/dbraw/zinc/59/07/29/569590729.db2.gz LLBIXPYRSZQTOB-UHFFFAOYSA-N 1 0 493.673 4.659 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000057222947 569594748 /nfs/dbraw/zinc/59/47/48/569594748.db2.gz FGEJADCSAWDBEN-UHFFFAOYSA-N 1 0 461.537 4.577 50 0 JJAARO O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057281516 569595450 /nfs/dbraw/zinc/59/54/50/569595450.db2.gz WOAPMHIBJLVDCI-UHFFFAOYSA-N 1 0 478.596 4.531 50 0 JJAARO COCC[NH+]1CCN(c2nc(CSc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000057315416 569597000 /nfs/dbraw/zinc/59/70/00/569597000.db2.gz WETFNCUSYNJBPN-UHFFFAOYSA-N 1 0 454.665 4.631 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008718351 569597057 /nfs/dbraw/zinc/59/70/57/569597057.db2.gz GCDLYDGCOUUXSB-DEOSSOPVSA-N 1 0 456.546 4.708 50 0 JJAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984013 569607346 /nfs/dbraw/zinc/60/73/46/569607346.db2.gz GRTUIRGIOUJSPT-WGOQTCKBSA-N 1 0 487.987 4.890 50 0 JJAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)c2cc1C ZINC000033006103 569614587 /nfs/dbraw/zinc/61/45/87/569614587.db2.gz XQFLJCPQKFOTHN-UHFFFAOYSA-N 1 0 474.649 4.754 50 0 JJAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000064666625 569623858 /nfs/dbraw/zinc/62/38/58/569623858.db2.gz WGQXOAXSBKSFNK-UHFFFAOYSA-N 1 0 456.565 4.752 50 0 JJAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+](C)Cc2ccccc2)C3=O)o1 ZINC000033331898 569624408 /nfs/dbraw/zinc/62/44/08/569624408.db2.gz WQDAHKYBGABACM-GDLZYMKVSA-N 1 0 490.648 4.728 50 0 JJAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)/C=C\c1c(C)nn(-c2ccccc2)c1C ZINC000033622002 569628986 /nfs/dbraw/zinc/62/89/86/569628986.db2.gz MSIBLVZAJQCATK-MSUUIHNZSA-N 1 0 456.594 4.833 50 0 JJAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000064814584 569632340 /nfs/dbraw/zinc/63/23/40/569632340.db2.gz FIKPMVKAKGFOOI-UHFFFAOYSA-N 1 0 491.661 4.708 50 0 JJAARO Cc1nc2cc(C(=O)NCC3CC[NH+](Cc4ccccc4F)CC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859551 569639179 /nfs/dbraw/zinc/63/91/79/569639179.db2.gz DLADRNVFCGGPPB-UHFFFAOYSA-N 1 0 498.602 4.534 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4Cc3ccccc3)CC2)cc1 ZINC000064859434 569639196 /nfs/dbraw/zinc/63/91/96/569639196.db2.gz CMCIXKZRYZPDLA-UHFFFAOYSA-N 1 0 494.639 4.704 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000034145550 569639767 /nfs/dbraw/zinc/63/97/67/569639767.db2.gz JNKMSEDHGGNYIG-DFIYOIEZSA-N 1 0 468.041 4.849 50 0 JJAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccc3)[N@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000034669785 569640815 /nfs/dbraw/zinc/64/08/15/569640815.db2.gz UEPLITUZENKSFC-TZBSWOFLSA-N 1 0 470.560 4.720 50 0 JJAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc1 ZINC000034681699 569643456 /nfs/dbraw/zinc/64/34/56/569643456.db2.gz MJTHDDNHAUZFLY-UHFFFAOYSA-N 1 0 464.997 4.773 50 0 JJAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681984 569643723 /nfs/dbraw/zinc/64/37/23/569643723.db2.gz FORZUBDZINOIHM-UHFFFAOYSA-N 1 0 484.522 4.830 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(C(=O)c3ccco3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682846 569644092 /nfs/dbraw/zinc/64/40/92/569644092.db2.gz ARZDWGSCGZZKCB-UHFFFAOYSA-N 1 0 480.561 4.625 50 0 JJAARO COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000034683601 569644428 /nfs/dbraw/zinc/64/44/28/569644428.db2.gz HQEXXPCNTGSHBF-UHFFFAOYSA-N 1 0 464.537 4.860 50 0 JJAARO COc1cc(C[NH+]2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683505 569644528 /nfs/dbraw/zinc/64/45/28/569644528.db2.gz VGILRKOASWMROS-UHFFFAOYSA-N 1 0 452.501 4.990 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccc(C)cc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698440 569647806 /nfs/dbraw/zinc/64/78/06/569647806.db2.gz AFEZCAAHRZMFLY-VAVYLYDRSA-N 1 0 487.619 4.821 50 0 JJAARO O=S(=O)(c1ccccc1)N1C[C@@H](C[NH+]2CCCCC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034698686 569647816 /nfs/dbraw/zinc/64/78/16/569647816.db2.gz GUBZITOIJVFHPC-KNQAVFIVSA-N 1 0 452.542 4.596 50 0 JJAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000034725494 569652827 /nfs/dbraw/zinc/65/28/27/569652827.db2.gz MWDNFCOWCCWQOB-UHFFFAOYSA-N 1 0 491.607 4.898 50 0 JJAARO Cc1ccc(-c2nc(-c3ccc(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)s3)no2)cc1 ZINC000065062974 569656308 /nfs/dbraw/zinc/65/63/08/569656308.db2.gz SEIVSRIPJFLQAC-UHFFFAOYSA-N 1 0 493.677 4.844 50 0 JJAARO COc1ccccc1N1CC[NH+](CCCNc2ccc(-c3nc(-c4ccc(C)cc4)no3)cn2)CC1 ZINC000065097820 569661678 /nfs/dbraw/zinc/66/16/78/569661678.db2.gz DAIICUCAPBYQMB-UHFFFAOYSA-N 1 0 484.604 4.740 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)c1ccc(CC)cc1 ZINC000034814873 569662856 /nfs/dbraw/zinc/66/28/56/569662856.db2.gz QBYMBHDRARSKCR-UHFFFAOYSA-N 1 0 473.665 4.937 50 0 JJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034830394 569663824 /nfs/dbraw/zinc/66/38/24/569663824.db2.gz ODOBQRCAJJDHSK-NBGIEHNGSA-N 1 0 493.698 4.829 50 0 JJAARO CC(=O)c1ccc(-c2ccc3nc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cn3c2)cc1 ZINC000034831098 569664019 /nfs/dbraw/zinc/66/40/19/569664019.db2.gz CFQRKDKCLSKFIQ-UHFFFAOYSA-N 1 0 452.558 4.598 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)CC(C)C ZINC000034832070 569664493 /nfs/dbraw/zinc/66/44/93/569664493.db2.gz VOAKEBHOISKKHD-HXUWFJFHSA-N 1 0 457.638 4.635 50 0 JJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)C1CCCC1 ZINC000034834470 569664809 /nfs/dbraw/zinc/66/48/09/569664809.db2.gz AHTOULRFVVPCGL-UHFFFAOYSA-N 1 0 469.649 4.637 50 0 JJAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(CCC)Cc1cccn1C ZINC000034836582 569665756 /nfs/dbraw/zinc/66/57/56/569665756.db2.gz JOCHRUWMBCVXBO-UHFFFAOYSA-N 1 0 480.676 4.857 50 0 JJAARO C[C@@H](CC(=O)N1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1)CC(C)(C)C ZINC000034912440 569671616 /nfs/dbraw/zinc/67/16/16/569671616.db2.gz ZJWBVEBEFMYSOM-QFIPXVFZSA-N 1 0 455.687 4.810 50 0 JJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3cccc4ccccc43)CC2)CC1 ZINC000034912453 569671764 /nfs/dbraw/zinc/67/17/64/569671764.db2.gz CBHIEZSTUMOROL-UHFFFAOYSA-N 1 0 469.629 4.815 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000067189421 569677165 /nfs/dbraw/zinc/67/71/65/569677165.db2.gz GMFSZWFKYGVOPH-DAHKTCFSSA-N 1 0 486.955 4.977 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](Cc2ccccc2)[NH2+][C@]12C(=O)Nc1c2cccc1C ZINC000035365951 569682766 /nfs/dbraw/zinc/68/27/66/569682766.db2.gz CXRYRVGTACSNST-FCDUAZGNSA-N 1 0 475.976 4.664 50 0 biogenic JJAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C)cc2)cc1Cl ZINC000035372926 569683390 /nfs/dbraw/zinc/68/33/90/569683390.db2.gz TXFAYHIXALHGLJ-UHFFFAOYSA-N 1 0 471.026 4.652 50 0 JJAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Cl)cc2)cc1 ZINC000035372974 569683473 /nfs/dbraw/zinc/68/34/73/569683473.db2.gz XVEOFAJNANBXQW-UHFFFAOYSA-N 1 0 471.026 4.734 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397160 569687823 /nfs/dbraw/zinc/68/78/23/569687823.db2.gz CBIKNDKIYSYXHB-UHFFFAOYSA-N 1 0 492.645 4.708 50 0 JJAARO O=C(NCCc1c[nH]cn1)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000035451440 569696852 /nfs/dbraw/zinc/69/68/52/569696852.db2.gz XNTGZQKWDHEMBX-UHFFFAOYSA-N 1 0 476.024 4.637 50 0 JJAARO O=C1CSc2sc3c(ncn(C[C@@H](c4ccccc4Cl)[NH+]4CCCCCC4)c3=O)c2N1 ZINC000035671340 569706042 /nfs/dbraw/zinc/70/60/42/569706042.db2.gz FNJYCIZTJGSBBY-INIZCTEOSA-N 1 0 475.039 4.773 50 0 JJAARO CCCCC[N@H+](CCCC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035844995 569715822 /nfs/dbraw/zinc/71/58/22/569715822.db2.gz LYRUVZIIIIFXLP-UHFFFAOYSA-N 1 0 456.627 4.995 50 0 JJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000085876983 569716002 /nfs/dbraw/zinc/71/60/02/569716002.db2.gz GHERQZYTIGQOQT-SIKLNZKXSA-N 1 0 470.411 4.696 50 0 biogenic JJAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C(C)C)cc1 ZINC000086048484 569716873 /nfs/dbraw/zinc/71/68/73/569716873.db2.gz MSKKEEGZPDVLJX-UHFFFAOYSA-N 1 0 450.583 4.875 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000035871736 569718891 /nfs/dbraw/zinc/71/88/91/569718891.db2.gz ZEFCGJSJTKYJJU-XNMGPUDCSA-N 1 0 476.020 4.528 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCc1ccccc1)C2 ZINC000035871744 569718897 /nfs/dbraw/zinc/71/88/97/569718897.db2.gz IBVKZEOQOOGUOU-IXCJQBJRSA-N 1 0 490.047 4.571 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)C2 ZINC000035871762 569718910 /nfs/dbraw/zinc/71/89/10/569718910.db2.gz MERTWDHXFPMKRY-NBYOPXRUSA-N 1 0 473.592 4.575 50 0 JJAARO O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000089823111 569719931 /nfs/dbraw/zinc/71/99/31/569719931.db2.gz VLFBVIGKJFELSW-UHFFFAOYSA-N 1 0 462.977 4.731 50 0 JJAARO Nc1c2c(nn1-c1ccc(F)cc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccccc1Cl ZINC000035929720 569731375 /nfs/dbraw/zinc/73/13/75/569731375.db2.gz JYWJYUNPFKNOIT-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO C[C@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)C[C@H](C)[NH2+]1 ZINC000096592310 569742052 /nfs/dbraw/zinc/74/20/52/569742052.db2.gz BGHPXZSKRHBIMS-KBPBESRZSA-N 1 0 458.791 4.808 50 0 JJAARO CC[C@H](NC(=O)Cc1ccccc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048335 569755785 /nfs/dbraw/zinc/75/57/85/569755785.db2.gz UULIMZKPEUSURA-ABYGYWHVSA-N 1 0 458.602 4.941 50 0 JJAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@H](O)COCc1ccco1 ZINC000036245986 569757791 /nfs/dbraw/zinc/75/77/91/569757791.db2.gz SEOVLNBHXLYQKU-UNMCSNQZSA-N 1 0 455.599 4.957 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036301528 569758993 /nfs/dbraw/zinc/75/89/93/569758993.db2.gz LEFAVBKALKQFMP-QFIPXVFZSA-N 1 0 467.610 4.504 50 0 JJAARO O[C@H](Cc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312955 569760408 /nfs/dbraw/zinc/76/04/08/569760408.db2.gz NJYHDSZVSJSJAV-RPBOFIJWSA-N 1 0 461.606 4.526 50 0 JJAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036313045 569760593 /nfs/dbraw/zinc/76/05/93/569760593.db2.gz JMBHHZUIUSTAAJ-DEOSSOPVSA-N 1 0 491.632 4.992 50 0 JJAARO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313799 569761161 /nfs/dbraw/zinc/76/11/61/569761161.db2.gz WKONWJWEWNAHPJ-QFIPXVFZSA-N 1 0 467.610 4.888 50 0 JJAARO Cc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316068 569762004 /nfs/dbraw/zinc/76/20/04/569762004.db2.gz AVPVLOZXCKHZIA-AHWVRZQESA-N 1 0 493.648 4.955 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCC ZINC000036316480 569763024 /nfs/dbraw/zinc/76/30/24/569763024.db2.gz APRGMQIRNCHSDP-NRFANRHFSA-N 1 0 455.574 4.976 50 0 JJAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340069 569763581 /nfs/dbraw/zinc/76/35/81/569763581.db2.gz BFYORDLBXDGFBT-SANMLTNESA-N 1 0 488.676 4.862 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@H](C)CC ZINC000036341992 569765078 /nfs/dbraw/zinc/76/50/78/569765078.db2.gz PXXOSACPAXYLMW-OFNKIYASSA-N 1 0 467.610 4.980 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345819 569768260 /nfs/dbraw/zinc/76/82/60/569768260.db2.gz LCLODVOIEILTMH-QFIPXVFZSA-N 1 0 455.574 4.974 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346238 569769264 /nfs/dbraw/zinc/76/92/64/569769264.db2.gz GPRGZWPODRIBEO-QHCPKHFHSA-N 1 0 455.574 4.968 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346591 569770156 /nfs/dbraw/zinc/77/01/56/569770156.db2.gz CIXCXNLBYMKIRG-OAQYLSRUSA-N 1 0 459.537 4.859 50 0 JJAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COC ZINC000036346559 569770187 /nfs/dbraw/zinc/77/01/87/569770187.db2.gz HZFRMNIPCQEKSQ-UTKZUKDTSA-N 1 0 459.537 4.859 50 0 JJAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)CO4)cc1 ZINC000036569713 569776621 /nfs/dbraw/zinc/77/66/21/569776621.db2.gz DUNRUTJASQTNJK-PXDATVDWSA-N 1 0 460.574 4.885 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@@H+]5CCCC[C@H]35)CO4)c2=O)cc1OC ZINC000036584660 569776984 /nfs/dbraw/zinc/77/69/84/569776984.db2.gz LCHPQVANSHXVPE-HYBUGGRVSA-N 1 0 490.600 4.894 50 0 JJAARO C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000037133161 569781364 /nfs/dbraw/zinc/78/13/64/569781364.db2.gz YLEHMJUQHQEBPX-KCOPFZBASA-N 1 0 486.741 4.694 50 0 biogenic JJAARO CCc1nn(-c2ccc(OC)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037278473 569782372 /nfs/dbraw/zinc/78/23/72/569782372.db2.gz BRLUXJNCBCLFGZ-UHFFFAOYSA-N 1 0 476.621 4.689 50 0 JJAARO Nc1c2c(nn1Cc1ccccc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(Cl)cc1 ZINC000037358550 569783794 /nfs/dbraw/zinc/78/37/94/569783794.db2.gz FYDCXZDXPUJQNV-UHFFFAOYSA-N 1 0 462.001 4.675 50 0 JJAARO Nc1c2c(nn1-c1ccccc1Cl)nc(NCC[NH+]1CCCC1)nc2-c1cccc(Cl)c1 ZINC000037359602 569783846 /nfs/dbraw/zinc/78/38/46/569783846.db2.gz LUPAQRKANPVYHJ-UHFFFAOYSA-N 1 0 468.392 4.879 50 0 JJAARO Nc1c2c(nn1-c1cccc(F)c1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037361570 569784186 /nfs/dbraw/zinc/78/41/86/569784186.db2.gz ILPUDZILUMEEKY-UHFFFAOYSA-N 1 0 483.954 4.894 50 0 JJAARO CC(C)[NH+]1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000037361668 569784241 /nfs/dbraw/zinc/78/42/41/569784241.db2.gz UQRRQMPLKNZARS-UHFFFAOYSA-N 1 0 483.954 4.527 50 0 JJAARO C[NH+](C)CCN(Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000037424054 569788939 /nfs/dbraw/zinc/78/89/39/569788939.db2.gz JNGAZVKJTCVMEQ-UHFFFAOYSA-N 1 0 485.021 4.573 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000037442804 569791033 /nfs/dbraw/zinc/79/10/33/569791033.db2.gz UDAJGGZRKRZXAE-IBLZDDMSSA-N 1 0 498.737 4.980 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1 ZINC000037587874 569796736 /nfs/dbraw/zinc/79/67/36/569796736.db2.gz CTZQVERDUBCTAT-UHFFFAOYSA-N 1 0 466.832 4.993 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037588136 569796883 /nfs/dbraw/zinc/79/68/83/569796883.db2.gz WOUQIJWNBBZMQC-UHFFFAOYSA-N 1 0 468.367 4.617 50 0 JJAARO CCc1cc([C@H](c2cccc(OC)c2OC)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546558 569803195 /nfs/dbraw/zinc/80/31/95/569803195.db2.gz CRHCNFNKTPAOBY-QHCPKHFHSA-N 1 0 483.634 4.900 50 0 JJAARO CC[NH+]1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546587 569803327 /nfs/dbraw/zinc/80/33/27/569803327.db2.gz ZVBZCUDYULWNQX-QHCPKHFHSA-N 1 0 450.608 4.594 50 0 JJAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCN(Cc6ccccc6)CC5)C4=O)cc3)sc2c1 ZINC000102044361 569809198 /nfs/dbraw/zinc/80/91/98/569809198.db2.gz RXKNKNGWOZEYSX-RUZDIDTESA-N 1 0 496.636 4.721 50 0 JJAARO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3CCN(c4ccccc4)CC3)cc2O)cc1 ZINC000039354033 569809379 /nfs/dbraw/zinc/80/93/79/569809379.db2.gz JOFJLOZPEYGSDT-UHFFFAOYSA-N 1 0 484.600 4.967 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccs1)Sc1ccccc1-2 ZINC000039360232 569809500 /nfs/dbraw/zinc/80/95/00/569809500.db2.gz GZQIVYVSTZMHSP-MHECFPHRSA-N 1 0 479.671 4.811 50 0 JJAARO Cc1cc(=O)c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000039445284 569809973 /nfs/dbraw/zinc/80/99/73/569809973.db2.gz LSNPKBWELAYNGL-MHECFPHRSA-N 1 0 479.671 4.669 50 0 JJAARO CCCn1c(C[NH2+][C@@H](c2ccc(CC)cc2)C(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000039992451 569813445 /nfs/dbraw/zinc/81/34/45/569813445.db2.gz MPQILHVUSWNBNS-RUZDIDTESA-N 1 0 456.656 4.746 50 0 JJAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000040158520 569821938 /nfs/dbraw/zinc/82/19/38/569821938.db2.gz VVZIVIYAXZEJHX-UHFFFAOYSA-N 1 0 462.059 4.625 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355475 569823916 /nfs/dbraw/zinc/82/39/16/569823916.db2.gz TUIHLTGLCBKKPF-ZDUSSCGKSA-N 1 0 455.411 4.697 50 0 JJAARO CC[C@@H]1C[N@H+](CCC(=O)N[C@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000104452777 569845776 /nfs/dbraw/zinc/84/57/76/569845776.db2.gz GQKLYLYPZABQGU-QDPGVEIFSA-N 1 0 459.590 4.668 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982899 569848100 /nfs/dbraw/zinc/84/81/00/569848100.db2.gz HQCFRKHXPZRMPJ-FCHUYYIVSA-N 1 0 451.394 4.775 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984374 569848370 /nfs/dbraw/zinc/84/83/70/569848370.db2.gz BIGGIJGOPQQQFP-FGZHOGPDSA-N 1 0 479.404 4.693 50 0 JJAARO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104984638 569848825 /nfs/dbraw/zinc/84/88/25/569848825.db2.gz XOYBHBJCMBJACM-ILBGXUMGSA-N 1 0 450.966 4.775 50 0 JJAARO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007289 569849828 /nfs/dbraw/zinc/84/98/28/569849828.db2.gz AVPVLOZXCKHZIA-RSXGOPAZSA-N 1 0 493.648 4.955 50 0 JJAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COC ZINC000105012933 569851205 /nfs/dbraw/zinc/85/12/05/569851205.db2.gz HZFRMNIPCQEKSQ-DYESRHJHSA-N 1 0 459.537 4.859 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)C1 ZINC000105470231 569853060 /nfs/dbraw/zinc/85/30/60/569853060.db2.gz MISIYDDAZMPYOZ-IEOSBIPESA-N 1 0 494.680 4.780 50 0 JJAARO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169677907 569869020 /nfs/dbraw/zinc/86/90/20/569869020.db2.gz FJFFUYYYIDLHJM-UPVQGACJSA-N 1 0 459.556 4.731 50 0 JJAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C(C)C)C[C@@H](O)COCc1ccco1 ZINC000169679470 569869705 /nfs/dbraw/zinc/86/97/05/569869705.db2.gz SEOVLNBHXLYQKU-RBBKRZOGSA-N 1 0 455.599 4.957 50 0 JJAARO COc1ccc(C2=NO[C@H](CN(Cc3ccccc3Cl)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680051 569870094 /nfs/dbraw/zinc/87/00/94/569870094.db2.gz ZZMIXCRWYBTSRK-RDGATRHJSA-N 1 0 480.992 4.784 50 0 JJAARO COc1ccc(C2=NO[C@@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680052 569870121 /nfs/dbraw/zinc/87/01/21/569870121.db2.gz XJNCLNOQQDUOSG-ZEQKJWHPSA-N 1 0 480.992 4.784 50 0 JJAARO O=C(CN1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000230007592 570043408 /nfs/dbraw/zinc/04/34/08/570043408.db2.gz DJMFSEKRFSDDHX-QLCOJLISSA-N 1 0 458.558 4.875 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000230066586 570044220 /nfs/dbraw/zinc/04/42/20/570044220.db2.gz ZONPMJINROAUIX-NSOVKSMOSA-N 1 0 485.628 4.634 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228587 570055721 /nfs/dbraw/zinc/05/57/21/570055721.db2.gz UVCLAYHRSLJRSQ-PWUYWRBVSA-N 1 0 478.681 4.959 50 0 JJAARO CC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1 ZINC000245327406 570065279 /nfs/dbraw/zinc/06/52/79/570065279.db2.gz IYPMEVAZYMZVCI-NZQKXSOJSA-N 1 0 462.631 4.511 50 0 JJAARO CC(C)N(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988979 570072257 /nfs/dbraw/zinc/07/22/57/570072257.db2.gz LBMJPPGWFMQJEY-SFHVURJKSA-N 1 0 469.427 4.867 50 0 JJAARO CC(C)n1c(CN2CCC(C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)CC2)nc2ccccc21 ZINC000248004434 570072382 /nfs/dbraw/zinc/07/23/82/570072382.db2.gz PAIMWYJLBBAHDP-UHFFFAOYSA-N 1 0 498.046 4.971 50 0 JJAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000247994477 570072444 /nfs/dbraw/zinc/07/24/44/570072444.db2.gz CGWGCMAVZSROKA-YTMVLYRLSA-N 1 0 450.586 4.651 50 0 JJAARO 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 570076889 /nfs/dbraw/zinc/07/68/89/570076889.db2.gz KXPQUHHNPNEABT-NDBXHCKUSA-N 1 0 450.538 4.970 50 0 JJAARO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248251117 570076957 /nfs/dbraw/zinc/07/69/57/570076957.db2.gz SJFBFNNICFFPRO-GOSISDBHSA-N 1 0 469.427 4.916 50 0 JJAARO CCCCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000248273856 570077448 /nfs/dbraw/zinc/07/74/48/570077448.db2.gz XJUSFFHBGJZKAQ-QHCPKHFHSA-N 1 0 462.638 4.954 50 0 JJAARO O=C(c1cc2ccccc2o1)N1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252479023 570081605 /nfs/dbraw/zinc/08/16/05/570081605.db2.gz AZPVSQJBFRGKFP-UHFFFAOYSA-N 1 0 457.496 4.878 50 0 JJAARO C[NH+](C)CCCn1c(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)csc1=Nc1ccccc1 ZINC000252679176 570094155 /nfs/dbraw/zinc/09/41/55/570094155.db2.gz JAPQGRUOTLHROT-UHFFFAOYSA-N 1 0 498.718 4.965 50 0 JJAARO Fc1ccccc1Cn1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491767 570169858 /nfs/dbraw/zinc/16/98/58/570169858.db2.gz IJVUVRWGQAZYQY-UHFFFAOYSA-N 1 0 458.566 4.686 50 0 JJAARO Cc1c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)sc2ncnc(NCc3ccco3)c12 ZINC000299764081 570175088 /nfs/dbraw/zinc/17/50/88/570175088.db2.gz KDVQXHFDCUYYBQ-UHFFFAOYSA-N 1 0 487.629 4.868 50 0 JJAARO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000299766520 570175329 /nfs/dbraw/zinc/17/53/29/570175329.db2.gz JMOBASJMPCGTLB-HVIPQOSHSA-N 1 0 497.683 4.882 50 0 JJAARO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000299766529 570175371 /nfs/dbraw/zinc/17/53/71/570175371.db2.gz JMOBASJMPCGTLB-XYFQYJLHSA-N 1 0 497.683 4.882 50 0 JJAARO Cc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1 ZINC000299785311 570176600 /nfs/dbraw/zinc/17/66/00/570176600.db2.gz XWOSAWITUFTTSJ-WIOPSUGQSA-N 1 0 456.030 4.590 50 0 JJAARO COc1cccc2c1OCCC[N@@H+](C1CCN(c3cccc(NC(=O)c4cccnc4)c3)CC1)C2 ZINC000299787865 570176773 /nfs/dbraw/zinc/17/67/73/570176773.db2.gz YIPDXYPFTFZURY-UHFFFAOYSA-N 1 0 472.589 4.596 50 0 JJAARO C[C@H]([NH2+]C1CCN(c2cccc(NC(=O)c3cccnc3)c2)CC1)c1cnn(-c2ccccc2)c1 ZINC000299798617 570177395 /nfs/dbraw/zinc/17/73/95/570177395.db2.gz TWIGJIGGIWYLDI-NRFANRHFSA-N 1 0 466.589 4.839 50 0 JJAARO O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000390826517 570185359 /nfs/dbraw/zinc/18/53/59/570185359.db2.gz NFVPIUHZQRUORL-ONJIFJTESA-N 1 0 488.931 4.552 50 0 JJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1ccc(OC)c(Cn2nc(C)c(Cl)c2C)c1 ZINC000001294267 194081859 /nfs/dbraw/zinc/08/18/59/194081859.db2.gz IDTCDVWPZBGULV-XMMPIXPASA-N 1 0 450.970 4.935 50 0 biogenic JJAARO Cc1ccc(C[N@@H+]2CCN(C(=S)NCC(=O)NCCC3=CCCCC3)CC23CCCCC3)cc1 ZINC000002944250 194175824 /nfs/dbraw/zinc/17/58/24/194175824.db2.gz OZOBBRUCLYIPRA-UHFFFAOYSA-N 1 0 482.738 4.697 50 0 JJAARO Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCCCC2)cc1Cl ZINC000002973563 194189824 /nfs/dbraw/zinc/18/98/24/194189824.db2.gz OJEVGRBYSIFLBV-UHFFFAOYSA-N 1 0 485.053 4.965 50 0 JJAARO Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4c(=O)n3CCC[NH+](C)C)n2)cc1 ZINC000003325335 194282913 /nfs/dbraw/zinc/28/29/13/194282913.db2.gz JBBSWMJFTCEOLT-UHFFFAOYSA-N 1 0 493.658 4.511 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003588125 194339813 /nfs/dbraw/zinc/33/98/13/194339813.db2.gz SRFOHRPPKZWEDP-HAVVHWLPSA-N 1 0 453.583 4.907 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)CS2 ZINC000003645554 194348618 /nfs/dbraw/zinc/34/86/18/194348618.db2.gz YOLHCLAQRQAOEG-UHFFFAOYSA-N 1 0 476.017 4.724 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)[C@@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670338 194357951 /nfs/dbraw/zinc/35/79/51/194357951.db2.gz MSWKUBWWBULKID-DEOSSOPVSA-N 1 0 491.419 4.573 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000003670337 194358054 /nfs/dbraw/zinc/35/80/54/194358054.db2.gz MSWKUBWWBULKID-XMMPIXPASA-N 1 0 491.419 4.573 50 0 JJAARO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000009212139 194601051 /nfs/dbraw/zinc/60/10/51/194601051.db2.gz CSRSJQMHPURJSG-UHFFFAOYSA-N 1 0 495.645 4.538 50 0 JJAARO O=C(Cc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265211 194647505 /nfs/dbraw/zinc/64/75/05/194647505.db2.gz NMYDPFIVSFAIQE-UHFFFAOYSA-N 1 0 463.553 4.844 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H]1c1cccs1 ZINC000009433052 194778736 /nfs/dbraw/zinc/77/87/36/194778736.db2.gz IATKEGZGLZECIE-DQEYMECFSA-N 1 0 467.679 4.923 50 0 JJAARO Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009640469 194844818 /nfs/dbraw/zinc/84/48/18/194844818.db2.gz MMPVDXDSWKUENN-UHFFFAOYSA-N 1 0 491.039 4.509 50 0 JJAARO CCOC(=O)c1c2cc(OC[C@H](O)C[NH2+]CCc3ccc(OC)cc3)ccc2oc1-c1ccccc1 ZINC000012621382 195057120 /nfs/dbraw/zinc/05/71/20/195057120.db2.gz OWLKDJNPGBOADN-JOCHJYFZSA-N 1 0 489.568 4.857 50 0 JJAARO CC(C)[NH+](CCNC(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000012764925 195113063 /nfs/dbraw/zinc/11/30/63/195113063.db2.gz OYVKJBFDGNGWSE-QGZVFWFLSA-N 1 0 472.680 4.508 50 0 JJAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)C1 ZINC000012772982 195118956 /nfs/dbraw/zinc/11/89/56/195118956.db2.gz OELOUXSZYWPKDL-LJQANCHMSA-N 1 0 451.596 4.517 50 0 JJAARO Cc1cc(=O)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882783 195169551 /nfs/dbraw/zinc/16/95/51/195169551.db2.gz ZMCLAKRFLJWBKS-MHECFPHRSA-N 1 0 484.522 4.515 50 0 JJAARO CC[NH+]1CCN(CCNC(=O)c2ccc3nc(-c4cccc(C)c4)c(-c4cccc(C)c4)nc3c2)CC1 ZINC000020616515 195188135 /nfs/dbraw/zinc/18/81/35/195188135.db2.gz NRRCXVFYARJXRE-UHFFFAOYSA-N 1 0 493.655 4.948 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000020678175 195203044 /nfs/dbraw/zinc/20/30/44/195203044.db2.gz QWCXHBGFEKESQX-UHFFFAOYSA-N 1 0 497.643 4.700 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020678122 195203050 /nfs/dbraw/zinc/20/30/50/195203050.db2.gz UGCSTYHMWJPGKQ-UHFFFAOYSA-N 1 0 453.590 4.626 50 0 JJAARO COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020721729 195206735 /nfs/dbraw/zinc/20/67/35/195206735.db2.gz SHPDMEFPIWTHQE-UHFFFAOYSA-N 1 0 462.590 4.827 50 0 JJAARO CC(C)C[NH+](CCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)CC(C)C ZINC000020726618 195207813 /nfs/dbraw/zinc/20/78/13/195207813.db2.gz RQVQUMQUQLYEGL-XYGWBWBKSA-N 1 0 465.663 4.897 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902857 195242276 /nfs/dbraw/zinc/24/22/76/195242276.db2.gz WOCXAGNYWXPBCP-QLVXXPONSA-N 1 0 478.681 4.958 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000020904440 195244669 /nfs/dbraw/zinc/24/46/69/195244669.db2.gz AVHTWHIWIGFGDG-BJKOFHAPSA-N 1 0 453.652 4.677 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000020904459 195244934 /nfs/dbraw/zinc/24/49/34/195244934.db2.gz XPBMPFYSONURIG-BJKOFHAPSA-N 1 0 451.636 4.574 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000020920100 195247413 /nfs/dbraw/zinc/24/74/13/195247413.db2.gz UJUYCDQYUGUYKD-HVKFLMNHSA-N 1 0 482.669 4.780 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000020920106 195247428 /nfs/dbraw/zinc/24/74/28/195247428.db2.gz UJUYCDQYUGUYKD-CBIUGAAKSA-N 1 0 482.669 4.780 50 0 JJAARO COc1cc(OC)c(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1Cl ZINC000020927225 195249376 /nfs/dbraw/zinc/24/93/76/195249376.db2.gz PGJJCOZQNVIXSZ-UHFFFAOYSA-N 1 0 460.987 4.519 50 0 JJAARO Cc1cc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)ccc1Br ZINC000020927354 195249666 /nfs/dbraw/zinc/24/96/66/195249666.db2.gz DCGPGZSNTLUYKB-UHFFFAOYSA-N 1 0 459.413 4.919 50 0 JJAARO Cc1cc2n(n1)CCCN2Cc1ccc(C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020995961 195264521 /nfs/dbraw/zinc/26/45/21/195264521.db2.gz HCLWGFOPDPBVKM-UHFFFAOYSA-N 1 0 485.676 4.676 50 0 JJAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1Cc1ccc(Cl)cc1 ZINC000020997843 195264891 /nfs/dbraw/zinc/26/48/91/195264891.db2.gz UQXYATMZDHGHIJ-DQEYMECFSA-N 1 0 498.067 4.540 50 0 JJAARO O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000021018130 195267213 /nfs/dbraw/zinc/26/72/13/195267213.db2.gz JVBFHARZAZOMJI-UHFFFAOYSA-N 1 0 484.431 4.609 50 0 JJAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[NH+]1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000021367869 195300157 /nfs/dbraw/zinc/30/01/57/195300157.db2.gz XBMHIYQIZSKUSP-UHFFFAOYSA-N 1 0 467.953 4.561 50 0 JJAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CC[NH+](CC)CC)C3=O)s1 ZINC000021526025 195304896 /nfs/dbraw/zinc/30/48/96/195304896.db2.gz NJOKKZLYXOFOEK-AREMUKBSSA-N 1 0 472.699 4.661 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526691 195305083 /nfs/dbraw/zinc/30/50/83/195305083.db2.gz GANQGTIVFYPHNC-DCFHFQCYSA-N 1 0 468.642 4.552 50 0 JJAARO CC(C)C[NH+](CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)CC(C)C ZINC000021526730 195305427 /nfs/dbraw/zinc/30/54/27/195305427.db2.gz DKCKCQAFFBXNEY-NDEPHWFRSA-N 1 0 484.685 4.902 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000021808717 195324018 /nfs/dbraw/zinc/32/40/18/195324018.db2.gz AOHCRGBTPUFLDL-SVNFYYFLSA-N 1 0 484.710 4.877 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CC[N@H+](C)C2CCCCC2)CC1 ZINC000021808736 195324310 /nfs/dbraw/zinc/32/43/10/195324310.db2.gz UYOHYYXUXABTDA-IRQSHYTFSA-N 1 0 484.710 4.877 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916276 195332257 /nfs/dbraw/zinc/33/22/57/195332257.db2.gz JIPVBZIIPNJSSZ-JOCHJYFZSA-N 1 0 462.638 4.985 50 0 JJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cc(-c4ccccn4)nc4ccccc43)CC2)c1 ZINC000021934227 195335955 /nfs/dbraw/zinc/33/59/55/195335955.db2.gz MZADUAOGQBTEKY-UHFFFAOYSA-N 1 0 479.628 4.856 50 0 JJAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 ZINC000058152057 195367262 /nfs/dbraw/zinc/36/72/62/195367262.db2.gz VHFFGIFVQLVZDW-SFHVURJKSA-N 1 0 480.584 4.642 50 0 JJAARO C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1=O ZINC000058160771 195368955 /nfs/dbraw/zinc/36/89/55/195368955.db2.gz JTIOCRCOJCVATL-BVAGGSTKSA-N 1 0 482.628 4.557 50 0 JJAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058178845 195372364 /nfs/dbraw/zinc/37/23/64/195372364.db2.gz ZBUJCBYBGOLZPI-QFIPXVFZSA-N 1 0 469.536 4.674 50 0 JJAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000021548953 195314739 /nfs/dbraw/zinc/31/47/39/195314739.db2.gz VQFUOKREVDXJJE-HSZRJFAPSA-N 1 0 465.619 4.813 50 0 JJAARO C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@]12C)[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000059101558 195387399 /nfs/dbraw/zinc/38/73/99/195387399.db2.gz YLEHMJUQHQEBPX-XJCSOCGESA-N 1 0 486.741 4.694 50 0 biogenic JJAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000059410741 195399081 /nfs/dbraw/zinc/39/90/81/195399081.db2.gz UJIPMGQYUYGSPA-SFTDATJTSA-N 1 0 477.678 4.727 50 0 JJAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(CC[NH+](C)C)C(=O)c2cccs2)cc1 ZINC000096290845 130041248 /nfs/dbraw/zinc/04/12/48/130041248.db2.gz RBAGMRXYQJJXPY-UHFFFAOYSA-N 1 0 493.050 4.682 50 0 JJAARO CC(C)(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCCc4ccccc4F)cc3c2)CC1 ZINC000014965844 518662224 /nfs/dbraw/zinc/66/22/24/518662224.db2.gz HBPXIQSHLVJJFI-UHFFFAOYSA-N 1 0 452.570 4.874 50 0 JJAARO CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)[nH]c(=O)c23)C1 ZINC000021882620 518944687 /nfs/dbraw/zinc/94/46/87/518944687.db2.gz RXKFWNHZSMJYPX-GOSISDBHSA-N 1 0 484.710 4.545 50 0 JJAARO CC(=O)Nc1ccc(-c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3n2)cc1 ZINC000021662824 519708083 /nfs/dbraw/zinc/70/80/83/519708083.db2.gz NLKVEHCJDQXKPY-UHFFFAOYSA-N 1 0 456.590 4.951 50 0 JJAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014748398 519719340 /nfs/dbraw/zinc/71/93/40/519719340.db2.gz PITQXCAZEAVLHJ-UHFFFAOYSA-N 1 0 491.661 4.579 50 0 JJAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014749801 519719441 /nfs/dbraw/zinc/71/94/41/519719441.db2.gz OSNHLYJGQDWTCE-UHFFFAOYSA-N 1 0 470.617 4.590 50 0 JJAARO CC(C)COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308301 519757601 /nfs/dbraw/zinc/75/76/01/519757601.db2.gz ZVMZHNFDDRTYME-RSXGOPAZSA-N 1 0 493.648 4.894 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000036146034 519771628 /nfs/dbraw/zinc/77/16/28/519771628.db2.gz PBUHDAYBEHVKPZ-PMACEKPBSA-N 1 0 451.394 4.775 50 0 JJAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307088 519771840 /nfs/dbraw/zinc/77/18/40/519771840.db2.gz VMTAMEVBMHPTFF-QFIPXVFZSA-N 1 0 453.558 4.769 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302660 520095331 /nfs/dbraw/zinc/09/53/31/520095331.db2.gz UTGOIUOSITWVEN-QHCPKHFHSA-N 1 0 479.621 4.845 50 0 JJAARO CCOC(=O)C1C(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412497 520520586 /nfs/dbraw/zinc/52/05/86/520520586.db2.gz XDRMFTDUKASQOT-AMIYKVBISA-N 1 0 465.638 4.669 50 0 JJAARO CCCS(=O)(=O)c1oc(-c2ccc(C)cc2C)c(-[n+]2cc(C)cc(C)c2)c1S(=O)(=O)CCC ZINC000035324284 520547073 /nfs/dbraw/zinc/54/70/73/520547073.db2.gz POOCBUGAKLBJHL-UHFFFAOYSA-N 1 0 490.667 4.824 50 0 JJAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000014879779 520589087 /nfs/dbraw/zinc/58/90/87/520589087.db2.gz BHJVTNIEJQRRHP-SXOMAYOGSA-N 1 0 450.623 4.832 50 0 JJAARO CC[NH+](CC)CCC(=O)NCc1nc2ccccc2c(NCc2cccc(C(F)(F)F)c2)n1 ZINC000012245226 520590193 /nfs/dbraw/zinc/59/01/93/520590193.db2.gz LGWJVSRIJJVXPZ-UHFFFAOYSA-N 1 0 459.516 4.609 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035357 520684473 /nfs/dbraw/zinc/68/44/73/520684473.db2.gz XKHZNONGWMBLDE-NRFANRHFSA-N 1 0 457.018 4.823 50 0 JJAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCC(=O)NCCc1ccccc1 ZINC000016382780 520708731 /nfs/dbraw/zinc/70/87/31/520708731.db2.gz RXIINKOUTBYRNP-UHFFFAOYSA-N 1 0 475.427 4.618 50 0 JJAARO C=C1C(NCCC[NH+]2CCC(Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465732 520842399 /nfs/dbraw/zinc/84/23/99/520842399.db2.gz WXJVSTPNPDOBLD-UHFFFAOYSA-N 1 0 465.663 4.711 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000033035154 521084233 /nfs/dbraw/zinc/08/42/33/521084233.db2.gz TYQNKDGHNNJBGR-XMMPIXPASA-N 1 0 478.637 4.713 50 0 JJAARO CCC(CC)C(=O)NCc1nnc(SCC[NH+]2CCCC2)n1-c1cccc(C(F)(F)F)c1 ZINC000014987420 521497624 /nfs/dbraw/zinc/49/76/24/521497624.db2.gz UXBXPFIRTOCKNI-UHFFFAOYSA-N 1 0 469.577 4.526 50 0 JJAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000014742349 521527263 /nfs/dbraw/zinc/52/72/63/521527263.db2.gz KZGURWKRGQWHOK-UHFFFAOYSA-N 1 0 473.573 4.774 50 0 JJAARO CCOC(=O)c1ncoc1-c1ccccc1C(=O)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000013356674 521600540 /nfs/dbraw/zinc/60/05/40/521600540.db2.gz SLIDBUYETSMUKZ-UHFFFAOYSA-N 1 0 481.980 4.814 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000013629962 521654786 /nfs/dbraw/zinc/65/47/86/521654786.db2.gz FQTZYOKHLJMFOB-IBGZPJMESA-N 1 0 462.521 4.797 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036306234 521678092 /nfs/dbraw/zinc/67/80/92/521678092.db2.gz MQHSDKJMMCLRBC-JOCHJYFZSA-N 1 0 467.610 4.886 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036303898 521679288 /nfs/dbraw/zinc/67/92/88/521679288.db2.gz WEDLEBXYTBNDPK-HSZRJFAPSA-N 1 0 467.610 4.980 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(OC)cc(OC)c2)C1 ZINC000020386435 521724461 /nfs/dbraw/zinc/72/44/61/521724461.db2.gz CPRHYAMRLGSPBZ-INIZCTEOSA-N 1 0 454.596 4.817 50 0 JJAARO COC(=O)c1c(NCCC[NH+]2CCN(c3cc(Cl)ccc3C)CC2)onc1-c1ccc(F)cc1 ZINC000046914456 521776065 /nfs/dbraw/zinc/77/60/65/521776065.db2.gz GIHAUDVTRQAGIS-UHFFFAOYSA-N 1 0 486.975 4.853 50 0 JJAARO C[NH+](C)CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000036068742 521789250 /nfs/dbraw/zinc/78/92/50/521789250.db2.gz GQJGYGJTQATHGS-UHFFFAOYSA-N 1 0 466.601 4.605 50 0 JJAARO COc1c(C)cc([C@H]2CCc3nc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cn3C2)cc1C ZINC000034899226 521800285 /nfs/dbraw/zinc/80/02/85/521800285.db2.gz AUXHFAOCXVTJBF-QHCPKHFHSA-N 1 0 472.633 4.633 50 0 JJAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1cccc(F)c1 ZINC000014984197 521890860 /nfs/dbraw/zinc/89/08/60/521890860.db2.gz WOEQHQPPJYYPDG-UHFFFAOYSA-N 1 0 463.578 4.902 50 0 JJAARO C[N@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)Cc1ccccc1 ZINC000021864144 522744305 /nfs/dbraw/zinc/74/43/05/522744305.db2.gz KPMIROWAHZZCQL-LJAQVGFWSA-N 1 0 488.632 4.544 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370986 523107179 /nfs/dbraw/zinc/10/71/79/523107179.db2.gz NFAWVCDHKYVBKD-LAUBAEHRSA-N 1 0 488.510 4.845 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccccc4Cl)CC3)c(C)o2)cc1OC ZINC000009731691 523201717 /nfs/dbraw/zinc/20/17/17/523201717.db2.gz IEWAXDIKUMUKLA-UHFFFAOYSA-N 1 0 483.996 4.849 50 0 JJAARO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000008600323 523305790 /nfs/dbraw/zinc/30/57/90/523305790.db2.gz DJAWLFAMVHWIRO-UHFFFAOYSA-N 1 0 497.661 4.774 50 0 JJAARO CC[C@]1(C2CC[NH+](Cc3cccc4ccccc43)CC2)NC(=O)N(CCc2scnc2C)C1=O ZINC000014884287 523606619 /nfs/dbraw/zinc/60/66/19/523606619.db2.gz CMAMAPIOOAJBIA-HHHXNRCGSA-N 1 0 476.646 4.760 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)Cc2cccs2)[C@@H]3OC)c1C ZINC000014884208 523641637 /nfs/dbraw/zinc/64/16/37/523641637.db2.gz MHUZBNWEOYMVJU-SXOMAYOGSA-N 1 0 492.689 4.544 50 0 JJAARO CCc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(=O)cc(C)n1CC[NH+]1CCCCC1 ZINC000012330773 523700980 /nfs/dbraw/zinc/70/09/80/523700980.db2.gz QAPHYKWNFFPTAY-AREMUKBSSA-N 1 0 471.645 4.919 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)C ZINC000036305073 523734553 /nfs/dbraw/zinc/73/45/53/523734553.db2.gz AMQGMVLYXDASKB-QFIPXVFZSA-N 1 0 488.028 4.767 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)C ZINC000036304950 523735482 /nfs/dbraw/zinc/73/54/82/523735482.db2.gz UFNSEYAARKUABD-OAQYLSRUSA-N 1 0 488.028 4.767 50 0 JJAARO COCC[N@H+](Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1c(F)cccc1Cl)C(C)C ZINC000014888691 523753906 /nfs/dbraw/zinc/75/39/06/523753906.db2.gz YVPFIAWYZHXIAM-UHFFFAOYSA-N 1 0 493.988 4.985 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCc3ccc(C[NH+]4CCCCCC4)o3)C2)s1 ZINC000033078459 523848242 /nfs/dbraw/zinc/84/82/42/523848242.db2.gz NPDQQTMHFOLPKK-LJQANCHMSA-N 1 0 481.666 4.756 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)C2)s1 ZINC000033078449 523848478 /nfs/dbraw/zinc/84/84/78/523848478.db2.gz NOMIJWNFGSMMOM-HSZRJFAPSA-N 1 0 491.705 4.807 50 0 JJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2cc4ccccc4o2)CC3)cc1 ZINC000014744230 523945041 /nfs/dbraw/zinc/94/50/41/523945041.db2.gz YLHLDPLVKQCWRS-UHFFFAOYSA-N 1 0 489.616 4.939 50 0 JJAARO CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000012279834 523951830 /nfs/dbraw/zinc/95/18/30/523951830.db2.gz ICBUBCNMSQKIKB-AREMUKBSSA-N 1 0 496.648 4.854 50 0 JJAARO COc1ccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)cc1OC ZINC000004099414 523966219 /nfs/dbraw/zinc/96/62/19/523966219.db2.gz XKASPWGJHVQHDB-OAQYLSRUSA-N 1 0 498.023 4.892 50 0 JJAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)cc1OC ZINC000036096034 524014088 /nfs/dbraw/zinc/01/40/88/524014088.db2.gz YVBNSINDDSRMFD-JOCHJYFZSA-N 1 0 459.945 4.938 50 0 JJAARO CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH+](Cc1ccc(-n3cccn3)cc1C)CC2 ZINC000014879203 524023041 /nfs/dbraw/zinc/02/30/41/524023041.db2.gz UFHCEIOHUYOWEP-SXOMAYOGSA-N 1 0 472.633 4.556 50 0 JJAARO COc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)NCC(C)C)cc4c3)CC2)c(OC)c1C ZINC000014996461 524024370 /nfs/dbraw/zinc/02/43/70/524024370.db2.gz DVUXTEBIUATUIU-UHFFFAOYSA-N 1 0 480.605 4.628 50 0 JJAARO C[NH+](C)CCCN1C(=S)N=NC1c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000020028573 524058309 /nfs/dbraw/zinc/05/83/09/524058309.db2.gz MDIOIQRBGVRWAR-ZBFHGGJFSA-N 1 0 485.967 4.696 50 0 JJAARO Cc1ccc(C)c(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2cccc(C(F)(F)F)c2)c1 ZINC000036065427 524098991 /nfs/dbraw/zinc/09/89/91/524098991.db2.gz JMWSVRHWWFMTAP-UHFFFAOYSA-N 1 0 488.554 4.804 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002170 524113729 /nfs/dbraw/zinc/11/37/29/524113729.db2.gz TYVWTCZAHDHAJW-OAQYLSRUSA-N 1 0 492.067 4.819 50 0 JJAARO Cc1cccc(C(=O)N2CCOc3ccc(C[NH+]4CCC(OCc5ccccc5)CC4)cc3C2)n1 ZINC000014965363 524182049 /nfs/dbraw/zinc/18/20/49/524182049.db2.gz COTDEBSPJPILSM-UHFFFAOYSA-N 1 0 471.601 4.606 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CCSC)[NH2+][C@@]12C(=O)Nc1c2cccc1Cl ZINC000015973361 524238433 /nfs/dbraw/zinc/23/84/33/524238433.db2.gz RYEKETHKBNLDFV-LIEFOEBCSA-N 1 0 480.417 4.519 50 0 JJAARO COc1ccccc1C[NH+]1CCC(c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)CC1 ZINC000012454305 524448669 /nfs/dbraw/zinc/44/86/69/524448669.db2.gz DQGBLJYKPPNUJE-XMMPIXPASA-N 1 0 478.662 4.986 50 0 JJAARO C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000014883400 524463810 /nfs/dbraw/zinc/46/38/10/524463810.db2.gz KZPYNMBURYZDBI-OAQYLSRUSA-N 1 0 472.585 4.992 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305840 524695116 /nfs/dbraw/zinc/69/51/16/524695116.db2.gz SNZFXKRWAAJFDT-QHCPKHFHSA-N 1 0 479.621 4.886 50 0 JJAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036309459 524758413 /nfs/dbraw/zinc/75/84/13/524758413.db2.gz QJWASZDUTMMKQO-SHQCIBLASA-N 1 0 492.685 4.875 50 0 JJAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)c1 ZINC000036309460 524765833 /nfs/dbraw/zinc/76/58/33/524765833.db2.gz QJWASZDUTMMKQO-SQHAQQRYSA-N 1 0 492.685 4.875 50 0 JJAARO COc1ccc(OC)c(CN2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c1 ZINC000014973669 524829199 /nfs/dbraw/zinc/82/91/99/524829199.db2.gz IUJJABXOEVGFMF-UHFFFAOYSA-N 1 0 489.616 4.537 50 0 JJAARO Cc1ccccc1-c1cccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)c1 ZINC000014732513 525005186 /nfs/dbraw/zinc/00/51/86/525005186.db2.gz XQYPQYDYZLAEME-UHFFFAOYSA-N 1 0 482.628 4.918 50 0 JJAARO COc1ccc([C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)N2CCOCC2)cc1 ZINC000024754442 525187379 /nfs/dbraw/zinc/18/73/79/525187379.db2.gz KJAGPBUYBALXHR-AREMUKBSSA-N 1 0 480.008 4.764 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000021809864 525202154 /nfs/dbraw/zinc/20/21/54/525202154.db2.gz ZKJJOVMPYOIPDL-AREMUKBSSA-N 1 0 470.683 4.632 50 0 JJAARO C[C@]1(C2CC[NH+](Cc3cc4ccccc4s3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012197712 525239120 /nfs/dbraw/zinc/23/91/20/525239120.db2.gz JHLHOEYAWHPSSC-RUZDIDTESA-N 1 0 451.567 4.763 50 0 JJAARO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(Cc2cn(C)nc2C)C3)s1 ZINC000014994220 525739791 /nfs/dbraw/zinc/73/97/91/525739791.db2.gz CMBILEFVNDMYDC-OAQYLSRUSA-N 1 0 480.678 4.881 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000012454149 525749588 /nfs/dbraw/zinc/74/95/88/525749588.db2.gz OVLFPKAPDPIXGA-DEOSSOPVSA-N 1 0 494.661 4.935 50 0 JJAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@@H](O)Cc3ccccc3)n2)cc1Cl ZINC000036147546 525877882 /nfs/dbraw/zinc/87/78/82/525877882.db2.gz MUCKMUWHYFDMFZ-NRFANRHFSA-N 1 0 451.954 4.940 50 0 JJAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1Cl ZINC000036147543 525878681 /nfs/dbraw/zinc/87/86/81/525878681.db2.gz MUCKMUWHYFDMFZ-OAQYLSRUSA-N 1 0 451.954 4.940 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000014989592 525965065 /nfs/dbraw/zinc/96/50/65/525965065.db2.gz FOPIKYIOQXRADI-QFIPXVFZSA-N 1 0 498.656 4.971 50 0 JJAARO CSc1ccc(CNC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129399 525995274 /nfs/dbraw/zinc/99/52/74/525995274.db2.gz PCGLBFZEFVPQSY-UHFFFAOYSA-N 1 0 489.645 4.962 50 0 JJAARO COc1cccc(C[NH2+][C@@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c43)C2)c1 ZINC000014992078 526034952 /nfs/dbraw/zinc/03/49/52/526034952.db2.gz MOEGHZPEAVEJKP-OAQYLSRUSA-N 1 0 459.615 4.747 50 0 JJAARO Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CC[NH+](C5CCCC5)CC4)c3C3CC3)n2)c(C)s1 ZINC000014991920 526044220 /nfs/dbraw/zinc/04/42/20/526044220.db2.gz QQCRJLPWBWNBGS-UHFFFAOYSA-N 1 0 476.650 4.585 50 0 JJAARO COc1cccc(C[C@H](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014995503 526076095 /nfs/dbraw/zinc/07/60/95/526076095.db2.gz JIAFHGLPDBYHKR-MUUNZHRXSA-N 1 0 485.628 4.621 50 0 JJAARO Cc1cc(=O)c(C(=O)NCC(C)(C)C[NH+](C)C)c2n1-c1ccccc1S[C@@H](c1ccsc1)C2 ZINC000014985716 526128229 /nfs/dbraw/zinc/12/82/29/526128229.db2.gz HQDIWWDUYYWJPW-HSZRJFAPSA-N 1 0 481.687 4.915 50 0 JJAARO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000040149612 526159767 /nfs/dbraw/zinc/15/97/67/526159767.db2.gz JCYNDXWYQXBITL-MRXNPFEDSA-N 1 0 481.394 4.675 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147158 526284953 /nfs/dbraw/zinc/28/49/53/526284953.db2.gz FCLDFVNKIDREPH-UPVQGACJSA-N 1 0 454.954 4.506 50 0 JJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995503 526492393 /nfs/dbraw/zinc/49/23/93/526492393.db2.gz QQCVUALXUOEVOR-CVDCTZTESA-N 1 0 455.002 4.537 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC[C@H](c3ccco3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000012246789 526698074 /nfs/dbraw/zinc/69/80/74/526698074.db2.gz IKCPIBCPIABXCI-MHZLTWQESA-N 1 0 473.617 4.533 50 0 JJAARO Cc1nonc1CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cc(C)ccc1C ZINC000014979567 526701804 /nfs/dbraw/zinc/70/18/04/526701804.db2.gz BNKOBOQMVLPMSI-VWNXMTODSA-N 1 0 468.598 4.528 50 0 JJAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCCC[C@@H]1CCCO ZINC000012464032 526706933 /nfs/dbraw/zinc/70/69/33/526706933.db2.gz DMDGSNNAESPBAH-RUZDIDTESA-N 1 0 450.623 4.540 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000035488910 526729660 /nfs/dbraw/zinc/72/96/60/526729660.db2.gz GMFSZWFKYGVOPH-UWQCJCJPSA-N 1 0 486.955 4.977 50 0 JJAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000014990150 526801673 /nfs/dbraw/zinc/80/16/73/526801673.db2.gz KQEPUFOYSUCQFU-NDEPHWFRSA-N 1 0 494.607 4.694 50 0 JJAARO [NH2+]=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(Br)cc1F ZINC000004441251 526846205 /nfs/dbraw/zinc/84/62/05/526846205.db2.gz IUNZGOJAEFGMAA-UHFFFAOYSA-N 1 0 456.315 4.765 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000012246487 526993617 /nfs/dbraw/zinc/99/36/17/526993617.db2.gz SDQJFYCIWSKRNG-QGZVFWFLSA-N 1 0 450.892 4.906 50 0 JJAARO Cc1nc(SCc2cccc(C(=O)NC(C)C)c2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000036062989 527021571 /nfs/dbraw/zinc/02/15/71/527021571.db2.gz ZVXJYMKGLIGEHQ-UHFFFAOYSA-N 1 0 489.689 4.846 50 0 JJAARO Cc1nc([C@@H](C)NC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)c(C)s1 ZINC000012429966 527029241 /nfs/dbraw/zinc/02/92/41/527029241.db2.gz DMFQYRQSXUSKBA-QGZVFWFLSA-N 1 0 450.608 4.689 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(F)c2)C4)cs1 ZINC000020212221 527069639 /nfs/dbraw/zinc/06/96/39/527069639.db2.gz KHSULEJEDUEVFC-GUYCJALGSA-N 1 0 454.596 4.618 50 0 JJAARO O=C(Nc1ccc(N2CCC([NH2+]CC3(N4CCOCC4)CCCCC3)CC2)cc1)c1ccccc1F ZINC000022917682 527221031 /nfs/dbraw/zinc/22/10/31/527221031.db2.gz POYBZWCHXXEDAW-UHFFFAOYSA-N 1 0 494.655 4.672 50 0 JJAARO O=S(=O)(c1ccc2nc(NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)ccc2c1)N1CCCC1 ZINC000021881965 527281750 /nfs/dbraw/zinc/28/17/50/527281750.db2.gz WFMHQLMIGQNVSO-UHFFFAOYSA-N 1 0 499.080 4.997 50 0 JJAARO O=C(Cn1c2ccccc2nc1-c1cscn1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009467057 527360396 /nfs/dbraw/zinc/36/03/96/527360396.db2.gz DOFGABLLLGYJEP-UHFFFAOYSA-N 1 0 466.010 4.594 50 0 JJAARO Cn1cccc1C[NH+]1CCC(c2nnc(SCC3CCCCC3)n2C[C@@H]2CCCO2)CC1 ZINC000012245209 527391558 /nfs/dbraw/zinc/39/15/58/527391558.db2.gz QSNSUCDDCWTKNR-QHCPKHFHSA-N 1 0 457.688 4.848 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355554 527530887 /nfs/dbraw/zinc/53/08/87/527530887.db2.gz RMYCSIIBHMUMAE-UHFFFAOYSA-N 1 0 488.535 4.809 50 0 JJAARO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022573321 527657529 /nfs/dbraw/zinc/65/75/29/527657529.db2.gz NKGKYRZXXMKOJS-RHCLBKJASA-N 1 0 466.588 4.811 50 0 JJAARO COc1ccccc1-c1cc(C(F)F)n2ncc(C(=O)OC[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c2n1 ZINC000000974209 553888361 /nfs/dbraw/zinc/88/83/61/553888361.db2.gz VGDAQBDEZHYPBP-UZLBHIALSA-N 1 0 470.520 4.764 50 0 JJAARO Cc1cc(OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1Cl ZINC000008431575 554584574 /nfs/dbraw/zinc/58/45/74/554584574.db2.gz PVLNJLJSYQPYCO-NRFANRHFSA-N 1 0 493.003 4.550 50 0 JJAARO Cc1cc(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)ccc1Cl ZINC000008431571 554584624 /nfs/dbraw/zinc/58/46/24/554584624.db2.gz PVLNJLJSYQPYCO-OAQYLSRUSA-N 1 0 493.003 4.550 50 0 JJAARO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCCCCC3)c3ccccc3n2)c(OC)c1 ZINC000008814227 554696565 /nfs/dbraw/zinc/69/65/65/554696565.db2.gz VSPJZFDJLAMZIF-UHFFFAOYSA-N 1 0 462.594 4.992 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008834888 554732961 /nfs/dbraw/zinc/73/29/61/554732961.db2.gz MPRYMHBODZXMBQ-QHCPKHFHSA-N 1 0 484.980 4.741 50 0 JJAARO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008848874 554746613 /nfs/dbraw/zinc/74/66/13/554746613.db2.gz JAVNNYVWZPSZEV-RUZDIDTESA-N 1 0 470.573 4.767 50 0 JJAARO CC(C)[N@H+](CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1)Cc1ccccc1 ZINC000008876279 554771515 /nfs/dbraw/zinc/77/15/15/554771515.db2.gz KWEHTJXOJZSCLA-UHFFFAOYSA-N 1 0 486.609 4.564 50 0 JJAARO CC1CCN(c2nc3ccc(C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)cc3s2)CC1 ZINC000008912722 554803265 /nfs/dbraw/zinc/80/32/65/554803265.db2.gz KZRHCQWWMSAYPT-UHFFFAOYSA-N 1 0 483.726 4.603 50 0 JJAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2)cc1 ZINC000008912920 554803849 /nfs/dbraw/zinc/80/38/49/554803849.db2.gz UFHBRFWUHMENNJ-UHFFFAOYSA-N 1 0 485.657 4.988 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)N3)C1 ZINC000008927665 554825190 /nfs/dbraw/zinc/82/51/90/554825190.db2.gz KVDFQQIZOKYZBV-JOCHJYFZSA-N 1 0 463.559 4.783 50 0 JJAARO O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000008991834 554852908 /nfs/dbraw/zinc/85/29/08/554852908.db2.gz LRDZDFYHEKDFPL-UHFFFAOYSA-N 1 0 468.553 4.620 50 0 biogenic JJAARO C[NH+](C)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Br)cc2s1 ZINC000009151869 554939233 /nfs/dbraw/zinc/93/92/33/554939233.db2.gz WEQMPVARFANOPF-UHFFFAOYSA-N 1 0 461.410 4.877 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000009152955 554941750 /nfs/dbraw/zinc/94/17/50/554941750.db2.gz GHZSIPRUMPCHMZ-UHFFFAOYSA-N 1 0 492.067 4.872 50 0 JJAARO C[C@H](CNC(=O)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1)c1ccccc1 ZINC000009251635 555025973 /nfs/dbraw/zinc/02/59/73/555025973.db2.gz XOXTYURKEAIKCH-HSZRJFAPSA-N 1 0 467.617 4.795 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)CC1 ZINC000009265060 555040594 /nfs/dbraw/zinc/04/05/94/555040594.db2.gz IEUSDNFWWDCZFN-UHFFFAOYSA-N 1 0 483.634 4.639 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)CC1 ZINC000009265351 555041064 /nfs/dbraw/zinc/04/10/64/555041064.db2.gz CNSLIHHPVXALHK-UHFFFAOYSA-N 1 0 493.604 4.657 50 0 JJAARO CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1 ZINC000009265337 555041078 /nfs/dbraw/zinc/04/10/78/555041078.db2.gz CUTZTELCFYEOGK-UHFFFAOYSA-N 1 0 475.545 4.881 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)cc2)CC1 ZINC000009265399 555041306 /nfs/dbraw/zinc/04/13/06/555041306.db2.gz VDUHBVVVSXODDG-UHFFFAOYSA-N 1 0 493.604 4.657 50 0 JJAARO Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000009266378 555042872 /nfs/dbraw/zinc/04/28/72/555042872.db2.gz ANHOUIALXQFINY-UHFFFAOYSA-N 1 0 457.553 4.571 50 0 JJAARO C[N@H+](C1CCCCC1)C1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1 ZINC000009268816 555043981 /nfs/dbraw/zinc/04/39/81/555043981.db2.gz QISFJRXMKCTUJO-UHFFFAOYSA-N 1 0 477.574 4.840 50 0 JJAARO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289268 555063687 /nfs/dbraw/zinc/06/36/87/555063687.db2.gz RTDYDHQIQUWHHU-JOCHJYFZSA-N 1 0 474.630 4.652 50 0 JJAARO CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009289544 555063899 /nfs/dbraw/zinc/06/38/99/555063899.db2.gz GDGAZSPJKJQGQJ-LJAQVGFWSA-N 1 0 480.612 4.838 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCCC1 ZINC000009336408 555103958 /nfs/dbraw/zinc/10/39/58/555103958.db2.gz MHUNKYNHCWHDKQ-AREMUKBSSA-N 1 0 452.558 4.872 50 0 JJAARO COc1cccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000009344869 555110397 /nfs/dbraw/zinc/11/03/97/555110397.db2.gz XNJLZUVTTLNRHS-AOYPEHQESA-N 1 0 452.514 4.816 50 0 JJAARO C[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009378850 555140827 /nfs/dbraw/zinc/14/08/27/555140827.db2.gz AFFQVJARVUBEQL-FDDCHVKYSA-N 1 0 470.573 4.711 50 0 JJAARO O=C(CSc1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000009388783 555149798 /nfs/dbraw/zinc/14/97/98/555149798.db2.gz FEXBSKIHHMQQNM-UHFFFAOYSA-N 1 0 477.605 4.951 50 0 JJAARO CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000009407687 555169168 /nfs/dbraw/zinc/16/91/68/555169168.db2.gz MLQDXNFWBSXJNJ-UHFFFAOYSA-N 1 0 455.045 4.598 50 0 JJAARO COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCC[NH+]3CCC(C)CC3)cc2O)cc1OC ZINC000009410850 555177907 /nfs/dbraw/zinc/17/79/07/555177907.db2.gz FNHRDOSEEFXKLJ-UHFFFAOYSA-N 1 0 451.567 4.886 50 0 JJAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009461048 555228420 /nfs/dbraw/zinc/22/84/20/555228420.db2.gz VTMSIJJWZOXXIE-UHFFFAOYSA-N 1 0 493.604 4.645 50 0 JJAARO COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3nc2-c2cscn2)[NH+]2CCCCC2)cc1 ZINC000009466667 555242853 /nfs/dbraw/zinc/24/28/53/555242853.db2.gz KZOKCJXVWMPUIS-XMMPIXPASA-N 1 0 475.618 4.512 50 0 JJAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 ZINC000009497663 555282049 /nfs/dbraw/zinc/28/20/49/555282049.db2.gz NQBNIUNDIFPQCP-HXUWFJFHSA-N 1 0 456.384 4.813 50 0 JJAARO Cc1ccc2nc3sc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc3cc2c1 ZINC000009528708 555322499 /nfs/dbraw/zinc/32/24/99/555322499.db2.gz WFMMXLRAQHQBPG-UHFFFAOYSA-N 1 0 462.594 4.839 50 0 JJAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000009531217 555326059 /nfs/dbraw/zinc/32/60/59/555326059.db2.gz BOOXLUUJPSWNSB-UHFFFAOYSA-N 1 0 461.606 4.523 50 0 JJAARO CCOc1ccc(NC(=O)c2cn3nc(-c4ccc(OCC)cc4)cc3nc2C2CC[NH2+]CC2)cc1 ZINC000009639986 555349271 /nfs/dbraw/zinc/34/92/71/555349271.db2.gz FQILPVZRMPJHCS-UHFFFAOYSA-N 1 0 485.588 4.913 50 0 JJAARO O[C@@H](COc1ccccc1)C[N@H+](CCc1ccc(Cl)cc1Cl)C[C@H](O)COc1ccccc1 ZINC000013149388 555352257 /nfs/dbraw/zinc/35/22/57/555352257.db2.gz SUWIQHPKSBUVAQ-ZRZAMGCNSA-N 1 0 490.427 4.718 50 0 JJAARO C[C@H](C(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)[NH+]1CCCCCC1 ZINC000009560316 555356559 /nfs/dbraw/zinc/35/65/59/555356559.db2.gz PBTMIABCYNCYKX-HXUWFJFHSA-N 1 0 460.574 4.916 50 0 JJAARO C[C@@H]([NH2+]Cc1cc(Br)ccc1OCC(=O)NCc1ccccc1)c1ccccc1 ZINC000013153141 555359490 /nfs/dbraw/zinc/35/94/90/555359490.db2.gz ILDGMUUMFPEELX-GOSISDBHSA-N 1 0 453.380 4.995 50 0 JJAARO COc1ccc2cc3cc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)sc3nc2c1 ZINC000009561525 555359603 /nfs/dbraw/zinc/35/96/03/555359603.db2.gz ZKESKZPBZWNYPY-UHFFFAOYSA-N 1 0 478.593 4.539 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000009562775 555364265 /nfs/dbraw/zinc/36/42/65/555364265.db2.gz WXSMUTURGSUPMK-CLJLJLNGSA-N 1 0 489.019 4.582 50 0 JJAARO O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013360274 555385828 /nfs/dbraw/zinc/38/58/28/555385828.db2.gz SFVARBFJRICPCC-UHFFFAOYSA-N 1 0 460.544 4.860 50 0 JJAARO CCOC(=O)C1CC[NH+]([C@H](c2c(NC(C)=O)sc3c2CCCC3)c2cccc(OC)c2)CC1 ZINC000009594125 555409940 /nfs/dbraw/zinc/40/99/40/555409940.db2.gz YGMMAUFQOSGUSA-DEOSSOPVSA-N 1 0 470.635 4.958 50 0 JJAARO COc1ccccc1-c1cc2nc(C)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1 ZINC000009609827 555438679 /nfs/dbraw/zinc/43/86/79/555438679.db2.gz MDLONQFJAAEJPC-UHFFFAOYSA-N 1 0 497.643 4.735 50 0 JJAARO 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 555440362 /nfs/dbraw/zinc/44/03/62/555440362.db2.gz WWSRNBAJYCKKNU-XMMPIXPASA-N 1 0 475.681 4.989 50 0 JJAARO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000009610451 555441119 /nfs/dbraw/zinc/44/11/19/555441119.db2.gz IFFRFJRTVXDZRE-UHFFFAOYSA-N 1 0 497.643 4.996 50 0 JJAARO Cn1c2ccccc2c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+]2CCCC2)c1-c1ccccc1 ZINC000009614572 555451473 /nfs/dbraw/zinc/45/14/73/555451473.db2.gz YPODBEIEOMFJRU-PMERELPUSA-N 1 0 492.623 4.603 50 0 JJAARO C[NH+]1CCN(c2ccc(NC(=O)c3c(=O)[nH]nc(-c4ccccc4)c3-c3ccccc3)cc2)CC1 ZINC000019862584 555520423 /nfs/dbraw/zinc/52/04/23/555520423.db2.gz GRYCRZRFEYVHBO-UHFFFAOYSA-N 1 0 465.557 4.520 50 0 JJAARO COc1cc2nc(NCCC[N@@H+]3CCCC[C@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831150 555532796 /nfs/dbraw/zinc/53/27/96/555532796.db2.gz MEHXYFPTGJQQSG-GOSISDBHSA-N 1 0 460.582 4.638 50 0 JJAARO COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CCN(Cc4ccccc4)CC3)c2cc1OC ZINC000009834680 555538738 /nfs/dbraw/zinc/53/87/38/555538738.db2.gz HOZSOYMMAHIWPA-UHFFFAOYSA-N 1 0 467.569 4.805 50 0 JJAARO COc1ccc(CC[NH2+]C[C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1OC ZINC000009835510 555540392 /nfs/dbraw/zinc/54/03/92/555540392.db2.gz KGBAGMMEYDMGKD-JYFHCDHNSA-N 1 0 480.992 4.661 50 0 JJAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013636346 555545295 /nfs/dbraw/zinc/54/52/95/555545295.db2.gz BWYRPRZTCGCYPG-RUZDIDTESA-N 1 0 491.975 4.861 50 0 JJAARO C[C@@H]1C[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@@H](C)O1 ZINC000019939399 555557609 /nfs/dbraw/zinc/55/76/09/555557609.db2.gz JYYUZJCGIJKDKE-CPUCHLNUSA-N 1 0 496.243 4.790 50 0 JJAARO Nc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000019944440 555562730 /nfs/dbraw/zinc/56/27/30/555562730.db2.gz RZWVDWHSVLMVIF-UHFFFAOYSA-N 1 0 486.023 4.758 50 0 JJAARO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1CCCC[N@@H+]1[C@@H]2c1ccc(Br)cc1 ZINC000013749768 555608474 /nfs/dbraw/zinc/60/84/74/555608474.db2.gz CXDSWJNSKIAUTF-UAFMIMERSA-N 1 0 459.771 4.818 50 0 JJAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1ccc(Br)cc1 ZINC000010059073 555608720 /nfs/dbraw/zinc/60/87/20/555608720.db2.gz UHZPJDUYGINEOT-OAQYLSRUSA-N 1 0 478.350 4.674 50 0 JJAARO COc1cc(C[NH+]2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000013940488 555651171 /nfs/dbraw/zinc/65/11/71/555651171.db2.gz YJKAYKYJNXCHNF-UHFFFAOYSA-N 1 0 488.628 4.507 50 0 JJAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000010312860 555678929 /nfs/dbraw/zinc/67/89/29/555678929.db2.gz PHDJQRMKAGPURB-UHFFFAOYSA-N 1 0 470.367 4.643 50 0 JJAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000014094510 555686800 /nfs/dbraw/zinc/68/68/00/555686800.db2.gz SRJFXOSQAZPGLA-OAHLLOKOSA-N 1 0 451.910 4.610 50 0 JJAARO COc1ccc([C@H](C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116567 555692203 /nfs/dbraw/zinc/69/22/03/555692203.db2.gz ZXNLYNQKRJINMN-JTSKRJEESA-N 1 0 457.530 4.654 50 0 JJAARO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000014141853 555707014 /nfs/dbraw/zinc/70/70/14/555707014.db2.gz AZKWHTCVJGXYNZ-SANMLTNESA-N 1 0 454.574 4.640 50 0 JJAARO COc1ccc([C@@H](C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000014142425 555707895 /nfs/dbraw/zinc/70/78/95/555707895.db2.gz NSQXEKXLPZFDLY-WZONZLPQSA-N 1 0 471.557 4.696 50 0 JJAARO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000020218796 555712860 /nfs/dbraw/zinc/71/28/60/555712860.db2.gz PCJGPMGDUSSPRY-DEOSSOPVSA-N 1 0 451.408 4.890 50 0 JJAARO COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)cc2)c1 ZINC000010456738 555717367 /nfs/dbraw/zinc/71/73/67/555717367.db2.gz JZRIYCRRPWHDEE-UHFFFAOYSA-N 1 0 487.600 4.629 50 0 JJAARO O=c1c2c(ncn1Cc1cccc(C(F)(F)F)c1)sc1c2CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000020235617 555728236 /nfs/dbraw/zinc/72/82/36/555728236.db2.gz ITLBQKRMVUNPQG-GOSISDBHSA-N 1 0 470.520 4.567 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531111 555798458 /nfs/dbraw/zinc/79/84/58/555798458.db2.gz QYLXVULXXMQLLL-MHZLTWQESA-N 1 0 471.576 4.551 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020532249 555801210 /nfs/dbraw/zinc/80/12/10/555801210.db2.gz ZTLMQFRQKFXQPX-MRXNPFEDSA-N 1 0 452.580 4.571 50 0 JJAARO CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000020532308 555801675 /nfs/dbraw/zinc/80/16/75/555801675.db2.gz VVBBIIUVFJBFIM-UHFFFAOYSA-N 1 0 468.564 4.672 50 0 JJAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN(CC[NH+](C)C)C(=O)[C@@H]2CCCO2)CCC4)c1 ZINC000011785977 555818930 /nfs/dbraw/zinc/81/89/30/555818930.db2.gz QHIAQWFISKXIJJ-MHZLTWQESA-N 1 0 457.618 4.768 50 0 JJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@H]2CCc4ccccc4C2)CC3)cc1 ZINC000014532357 555819864 /nfs/dbraw/zinc/81/98/64/555819864.db2.gz JNSGOHRIFGVEMG-SANMLTNESA-N 1 0 489.660 4.550 50 0 JJAARO Cc1ccc(F)c(C[NH2+]C2CCN(c3ccc(C(=O)NCc4ccc5c(c4)OCO5)cc3)CC2)c1F ZINC000011787015 555820595 /nfs/dbraw/zinc/82/05/95/555820595.db2.gz ORUCHFVGPKDTGT-UHFFFAOYSA-N 1 0 493.554 4.691 50 0 JJAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH+]3CCC(OCc4ccccc4)CC3)CC2)cc1 ZINC000011788825 555823203 /nfs/dbraw/zinc/82/32/03/555823203.db2.gz YRGJLTZITRCTOL-UHFFFAOYSA-N 1 0 484.644 4.662 50 0 JJAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000014537259 555826727 /nfs/dbraw/zinc/82/67/27/555826727.db2.gz SFTDCBKWONMGQE-UHFFFAOYSA-N 1 0 453.586 4.825 50 0 JJAARO Cn1c(SCC[NH+]2CCCCC2)nnc1C1CCN(C/C(Cl)=C/c2ccccc2)CC1 ZINC000011813277 555828746 /nfs/dbraw/zinc/82/87/46/555828746.db2.gz KPZFHTJCBNCCDI-PYCFMQQDSA-N 1 0 460.091 4.852 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)N1CCc1ccccc1 ZINC000014539547 555829320 /nfs/dbraw/zinc/82/93/20/555829320.db2.gz LLKRTRIGPOSRMC-UHFFFAOYSA-N 1 0 493.611 4.605 50 0 JJAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](Cc2nc4ccccc4s2)CC3)cc1 ZINC000014540574 555830824 /nfs/dbraw/zinc/83/08/24/555830824.db2.gz XQIUMHJPKNVEDY-UHFFFAOYSA-N 1 0 492.645 4.555 50 0 JJAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](C/C=C/c3ccccc3)CC2)N1CCc1ccccc1 ZINC000014540601 555830832 /nfs/dbraw/zinc/83/08/32/555830832.db2.gz YXSBZGLALVAUCW-RIYZIHGNSA-N 1 0 480.612 4.637 50 0 JJAARO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)Cc2ccccc2)[C@@H]3O)cc1C ZINC000011838872 555832263 /nfs/dbraw/zinc/83/22/63/555832263.db2.gz BQFUJNMQAWITTP-WDYNHAJCSA-N 1 0 454.614 4.612 50 0 JJAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000011847316 555834949 /nfs/dbraw/zinc/83/49/49/555834949.db2.gz QNYKNOXEGLLUAM-FGCOXFRFSA-N 1 0 492.660 4.740 50 0 JJAARO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc(OC)c1OC ZINC000015000463 555845149 /nfs/dbraw/zinc/84/51/49/555845149.db2.gz HAHFMPVKDDTNAC-HXUWFJFHSA-N 1 0 468.623 4.513 50 0 JJAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)ccc1F ZINC000011874021 555847996 /nfs/dbraw/zinc/84/79/96/555847996.db2.gz UUFCAMJSCBSJFC-UHFFFAOYSA-N 1 0 450.558 4.829 50 0 JJAARO COc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3csc(C)n3)c(-c3cccs3)nc2c1 ZINC000015003179 555848265 /nfs/dbraw/zinc/84/82/65/555848265.db2.gz BNUCPJZZOPVSOA-UHFFFAOYSA-N 1 0 466.632 4.941 50 0 JJAARO Cc1c(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)cnn1C ZINC000015004270 555849320 /nfs/dbraw/zinc/84/93/20/555849320.db2.gz VPYWOKQJMWGPLQ-HSZRJFAPSA-N 1 0 472.703 4.551 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(C(F)(F)F)cc1 ZINC000015004441 555849534 /nfs/dbraw/zinc/84/95/34/555849534.db2.gz LQINTNZMJLOVAL-QGZVFWFLSA-N 1 0 454.876 4.758 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCC2)cc1 ZINC000011905216 555853406 /nfs/dbraw/zinc/85/34/06/555853406.db2.gz WNZKFQLFCQBVJH-NRFANRHFSA-N 1 0 470.367 4.680 50 0 JJAARO COc1cccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2C[NH+](C)C)c1OC ZINC000011909940 555857077 /nfs/dbraw/zinc/85/70/77/555857077.db2.gz MWTKJSLWDGGKDO-UHFFFAOYSA-N 1 0 491.613 4.737 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccc(F)c(F)c1)Sc1ccccc1-2 ZINC000011910535 555858096 /nfs/dbraw/zinc/85/80/96/555858096.db2.gz RZDWWCXRRAVIPG-VWLOTQADSA-N 1 0 497.611 4.885 50 0 JJAARO O=C(c1cnsn1)N1CCC(Oc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000011910530 555858125 /nfs/dbraw/zinc/85/81/25/555858125.db2.gz CFUQCNXJTPTWRW-UHFFFAOYSA-N 1 0 476.646 4.676 50 0 JJAARO COc1ccccc1CCNC(=O)Cc1ccc(N2CCC([N@H+](C)C3CCCCC3)CC2)cc1 ZINC000011912556 555861329 /nfs/dbraw/zinc/86/13/29/555861329.db2.gz TUYPPTSOIKNFMH-UHFFFAOYSA-N 1 0 463.666 4.830 50 0 JJAARO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccc(C)cc2)C4)c1 ZINC000015067373 555867488 /nfs/dbraw/zinc/86/74/88/555867488.db2.gz JZSGZAZNJHSJMS-OAQYLSRUSA-N 1 0 459.615 4.665 50 0 JJAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCC(c2nc4ccccc4[nH]2)CC1)C3 ZINC000015071161 555870533 /nfs/dbraw/zinc/87/05/33/555870533.db2.gz HWNDYZMZKVUSRT-SFHVURJKSA-N 1 0 461.635 4.871 50 0 JJAARO COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH+](Cc1cc(C)c(OC)cc1C)CC2 ZINC000011970942 555873542 /nfs/dbraw/zinc/87/35/42/555873542.db2.gz HVTBNYYFPSIENB-IZLXSDGUSA-N 1 0 494.676 4.704 50 0 JJAARO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc(OC)c1 ZINC000012036565 555889499 /nfs/dbraw/zinc/88/94/99/555889499.db2.gz YZWCLRSYCYVLOJ-AREMUKBSSA-N 1 0 462.634 4.934 50 0 JJAARO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000012041304 555894015 /nfs/dbraw/zinc/89/40/15/555894015.db2.gz DIZRMTGYJPMHIY-UHFFFAOYSA-N 1 0 474.649 4.983 50 0 JJAARO COc1cc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)ccc1OCc1ccccc1 ZINC000022241831 555895403 /nfs/dbraw/zinc/89/54/03/555895403.db2.gz CUNJCXLHIAJVEP-UHFFFAOYSA-N 1 0 499.655 4.835 50 0 JJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000015319148 555897210 /nfs/dbraw/zinc/89/72/10/555897210.db2.gz ZHKOJPHSOWHHAZ-UZLBHIALSA-N 1 0 476.474 4.976 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000012097901 555905044 /nfs/dbraw/zinc/90/50/44/555905044.db2.gz MFCMEPKIJWPMGP-RPWUZVMVSA-N 1 0 450.966 4.967 50 0 JJAARO COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c1OC ZINC000012098923 555906155 /nfs/dbraw/zinc/90/61/55/555906155.db2.gz OXGGWOZGLZXVQN-NQIIRXRSSA-N 1 0 462.512 4.736 50 0 JJAARO COC(=O)c1ccc(CN2CC[C@@H]([N@H+](C)CCC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 ZINC000012128037 555910664 /nfs/dbraw/zinc/91/06/64/555910664.db2.gz SFWRUYICLLASCP-SPHKWJJASA-N 1 0 452.639 4.893 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672892 555930750 /nfs/dbraw/zinc/93/07/50/555930750.db2.gz KRSJLXJWAMUDLL-AREMUKBSSA-N 1 0 472.699 4.878 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccsc1)Sc1ccccc1-2 ZINC000012162765 555931337 /nfs/dbraw/zinc/93/13/37/555931337.db2.gz CBMZHJDZUYEJHJ-DVECYGJZSA-N 1 0 479.671 4.811 50 0 JJAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000015681872 555951165 /nfs/dbraw/zinc/95/11/65/555951165.db2.gz QCPHGARQLCGEMY-UHFFFAOYSA-N 1 0 490.623 4.878 50 0 JJAARO Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CC[NH2+]CC3)C[C@H]2C)c1 ZINC000015722076 555956522 /nfs/dbraw/zinc/95/65/22/555956522.db2.gz PUMCTTUBOKUHEK-HXUWFJFHSA-N 1 0 478.040 4.652 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(Br)cc3F)c2C2CC[NH2+]CC2)cc1 ZINC000015726862 555965824 /nfs/dbraw/zinc/96/58/24/555965824.db2.gz JUZKCRTXNSPUIH-UHFFFAOYSA-N 1 0 457.347 4.802 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)o1 ZINC000015727620 555966747 /nfs/dbraw/zinc/96/67/47/555966747.db2.gz KFNLVTIPYHIDQE-IBGZPJMESA-N 1 0 465.598 4.809 50 0 JJAARO Cn1c(Cc2ccccc2)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022918447 555972333 /nfs/dbraw/zinc/97/23/33/555972333.db2.gz RVLLGVCEKVAYHL-UHFFFAOYSA-N 1 0 469.658 4.907 50 0 JJAARO O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000022925040 555977403 /nfs/dbraw/zinc/97/74/03/555977403.db2.gz GNESXQMYZWVQKE-DEOSSOPVSA-N 1 0 456.508 4.810 50 0 JJAARO CC1(C)Cc2cccc(OC[C@@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2O1 ZINC000022927264 555978236 /nfs/dbraw/zinc/97/82/36/555978236.db2.gz LCQCZZFNKWBHQP-SANMLTNESA-N 1 0 472.629 4.547 50 0 JJAARO CC1(C)Cc2cccc(OC[C@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2O1 ZINC000022927268 555978260 /nfs/dbraw/zinc/97/82/60/555978260.db2.gz LCQCZZFNKWBHQP-AREMUKBSSA-N 1 0 472.629 4.547 50 0 JJAARO CCOC(=O)c1cc(CC)sc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022927876 555978484 /nfs/dbraw/zinc/97/84/84/555978484.db2.gz QFLWEJLBFCDLDP-UHFFFAOYSA-N 1 0 491.657 4.833 50 0 JJAARO CC(C)[C@H](CNc1ncnc2scc(-c3ccc(Br)cc3)c21)[NH+]1CCN(C)CC1 ZINC000022930961 555984157 /nfs/dbraw/zinc/98/41/57/555984157.db2.gz ZWMJQWGFVJRFRO-IBGZPJMESA-N 1 0 474.472 4.805 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)C3=Cc4sc5c(c4CS3)CCCC5)cc2)CC1 ZINC000022936521 555989421 /nfs/dbraw/zinc/98/94/21/555989421.db2.gz MDWHBMFUBRDHJK-UHFFFAOYSA-N 1 0 453.677 4.991 50 0 JJAARO S=c1n(CN2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000022939634 555992563 /nfs/dbraw/zinc/99/25/63/555992563.db2.gz NCANPDRQHSWIJI-UHFFFAOYSA-N 1 0 499.640 4.633 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccco1 ZINC000012528410 555996903 /nfs/dbraw/zinc/99/69/03/555996903.db2.gz UNJANYTYFGPBTG-JOCHJYFZSA-N 1 0 493.608 4.958 50 0 JJAARO Cc1oc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)nc1C[NH+]1CCC(C)CC1 ZINC000015785897 556005067 /nfs/dbraw/zinc/00/50/67/556005067.db2.gz JDORDILMSKJVJV-UHFFFAOYSA-N 1 0 458.606 4.844 50 0 JJAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000023253846 556035280 /nfs/dbraw/zinc/03/52/80/556035280.db2.gz JJDDYRDWGSUGMO-UHFFFAOYSA-N 1 0 464.407 4.795 50 0 JJAARO O=C(c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2)N1CCC([NH+]2CCCCC2)CC1 ZINC000015862563 556035494 /nfs/dbraw/zinc/03/54/94/556035494.db2.gz KZDRJKHGAOSDFB-LFVJCYFKSA-N 1 0 465.981 4.803 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023334410 556044072 /nfs/dbraw/zinc/04/40/72/556044072.db2.gz YDOZLNRDTHNSKY-RUZDIDTESA-N 1 0 457.622 4.948 50 0 JJAARO CC(=O)Nc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3n2)cc1 ZINC000015868441 556045336 /nfs/dbraw/zinc/04/53/36/556045336.db2.gz YYUOOESAVMNSSO-UHFFFAOYSA-N 1 0 456.590 4.951 50 0 JJAARO CSc1ccccc1NC(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000023361735 556049234 /nfs/dbraw/zinc/04/92/34/556049234.db2.gz FWJGXKZFSWSSAS-UHFFFAOYSA-N 1 0 479.621 4.980 50 0 JJAARO Oc1ccccc1N1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012561462 556054794 /nfs/dbraw/zinc/05/47/94/556054794.db2.gz YWMUATORDANKFM-QHCPKHFHSA-N 1 0 487.427 4.988 50 0 JJAARO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012567198 556066033 /nfs/dbraw/zinc/06/60/33/556066033.db2.gz MGTVUTWDETZWQY-HUUCEWRRSA-N 1 0 455.908 4.873 50 0 JJAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1csc(Cc2ccccc2)n1 ZINC000012582837 556080511 /nfs/dbraw/zinc/08/05/11/556080511.db2.gz YGBFXAWIYYNRPM-UHFFFAOYSA-N 1 0 451.611 4.900 50 0 JJAARO COc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)ccc1OCCOc1ccccc1Cl ZINC000023908066 556100043 /nfs/dbraw/zinc/10/00/43/556100043.db2.gz YQXDSMKWDPTSQH-UHFFFAOYSA-N 1 0 497.035 4.928 50 0 JJAARO CCCc1ccc([C@H]([NH2+]Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C(C)C)cc1 ZINC000024830159 556157815 /nfs/dbraw/zinc/15/78/15/556157815.db2.gz OGFGNXHBKNHLJK-HHHXNRCGSA-N 1 0 498.693 4.517 50 0 JJAARO O=C(COc1cccc(Oc2ccccn2)c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000024836107 556159004 /nfs/dbraw/zinc/15/90/04/556159004.db2.gz YNVAJWLRYJYHPX-HSZRJFAPSA-N 1 0 451.954 4.859 50 0 JJAARO Cc1ccc(S(=O)(=O)n2ccc3c2cccc3OCCOCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000012955041 556161342 /nfs/dbraw/zinc/16/13/42/556161342.db2.gz GDLPSJUKKQLBAU-UHFFFAOYSA-N 1 0 482.577 4.511 50 0 JJAARO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000024929202 556164412 /nfs/dbraw/zinc/16/44/12/556164412.db2.gz FVTYPZAFOQXJGZ-LJQANCHMSA-N 1 0 499.061 4.793 50 0 JJAARO O=C(CSc1ccccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)cc1 ZINC000025051097 556174519 /nfs/dbraw/zinc/17/45/19/556174519.db2.gz HUISWGPQGKIRIS-JOCHJYFZSA-N 1 0 463.578 4.561 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000012987575 556182235 /nfs/dbraw/zinc/18/22/35/556182235.db2.gz KIORNLOZNXGYKX-NRFANRHFSA-N 1 0 492.066 4.649 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000025424921 556214995 /nfs/dbraw/zinc/21/49/95/556214995.db2.gz WXSMUTURGSUPMK-UIOOFZCWSA-N 1 0 489.019 4.582 50 0 JJAARO CCc1ccc([C@H](C)[NH2+]Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)cc1 ZINC000013039870 556241728 /nfs/dbraw/zinc/24/17/28/556241728.db2.gz IGURHQKEQCVQEJ-IBGZPJMESA-N 1 0 454.640 4.644 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000013063105 556259078 /nfs/dbraw/zinc/25/90/78/556259078.db2.gz DJHGHMAEAMZRER-HSZRJFAPSA-N 1 0 469.944 4.773 50 0 JJAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1ccccc1 ZINC000018019204 556276799 /nfs/dbraw/zinc/27/67/99/556276799.db2.gz XBBDQLDCDUFHHA-VWLOTQADSA-N 1 0 465.619 4.609 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)[NH+]2CCCCC2)cc1 ZINC000013108213 556305227 /nfs/dbraw/zinc/30/52/27/556305227.db2.gz XXGHHXALOFPHDM-XMMPIXPASA-N 1 0 461.562 4.806 50 0 JJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000028289897 556327992 /nfs/dbraw/zinc/32/79/92/556327992.db2.gz GFXNKJCWYWMZNJ-KRWDZBQOSA-N 1 0 475.408 4.964 50 0 JJAARO COc1cccc([C@@H](C[NH2+][C@@H](C)C(=O)N2CCc3ccccc32)c2c[nH]c3ccccc32)c1OC ZINC000013120355 556332830 /nfs/dbraw/zinc/33/28/30/556332830.db2.gz QYTIKQHKVYCSDU-YADARESESA-N 1 0 469.585 4.884 50 0 JJAARO CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC(C)(C)[NH2+]1 ZINC000029787868 556357334 /nfs/dbraw/zinc/35/73/34/556357334.db2.gz WWTAJAQTUJUIGH-UHFFFAOYSA-N 1 0 483.556 4.545 50 0 JJAARO C[C@@H]([NH2+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(=O)N1CCOCC1 ZINC000019623103 556357931 /nfs/dbraw/zinc/35/79/31/556357931.db2.gz PVSGVBDLYFHFGB-BWKNWUBXSA-N 1 0 453.586 4.804 50 0 JJAARO Cc1ccccc1-c1cccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)c1 ZINC000019740210 556363995 /nfs/dbraw/zinc/36/39/95/556363995.db2.gz SNOQQUKTUJJBPJ-MUUNZHRXSA-N 1 0 494.643 4.834 50 0 JJAARO COc1ccc(Br)cc1C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cccnc1 ZINC000019787663 556370014 /nfs/dbraw/zinc/37/00/14/556370014.db2.gz DCHRAUABAZUBDQ-UHFFFAOYSA-N 1 0 455.352 4.826 50 0 JJAARO Cc1coc2cc3oc(=O)c(CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)c(C)c3cc12 ZINC000030819200 556374770 /nfs/dbraw/zinc/37/47/70/556374770.db2.gz MOEGUWISQYLXOK-UHFFFAOYSA-N 1 0 458.558 4.869 50 0 JJAARO CCCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000019830686 556397620 /nfs/dbraw/zinc/39/76/20/556397620.db2.gz FYVSPGFEVWKOFT-NDEPHWFRSA-N 1 0 497.639 4.905 50 0 JJAARO CC(C)(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000019831008 556398056 /nfs/dbraw/zinc/39/80/56/556398056.db2.gz LNIQSXWZDWWJTN-UHFFFAOYSA-N 1 0 498.092 4.804 50 0 JJAARO CC(C)c1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031816637 556407509 /nfs/dbraw/zinc/40/75/09/556407509.db2.gz ZUAGXDLBQHAAKY-UHFFFAOYSA-N 1 0 459.516 4.661 50 0 JJAARO O=C(COc1ccccc1)Nc1ccc(N2CCC([NH2+][C@@H]3CCCN(Cc4ccccc4)C3)CC2)cc1 ZINC000032550970 556444569 /nfs/dbraw/zinc/44/45/69/556444569.db2.gz PEMIFKOZAHRHQS-MUUNZHRXSA-N 1 0 498.671 4.927 50 0 JJAARO COc1ccc([C@@H]2c3cc(OC)c(OC)cc3Cc3c4cc(OC)c(OC)cc4cc[n+]32)cc1OC ZINC000008681874 562951302 /nfs/dbraw/zinc/95/13/02/562951302.db2.gz WKHCHIYLQUHSSM-GDLZYMKVSA-N 1 0 488.560 4.721 50 0 biogenic JJAARO COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1cccnc1)C3 ZINC000023128572 563019922 /nfs/dbraw/zinc/01/99/22/563019922.db2.gz UEJBOCXPGHSONP-HXUWFJFHSA-N 1 0 482.609 4.710 50 0 JJAARO COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1cccnc1)C3 ZINC000023128571 563019928 /nfs/dbraw/zinc/01/99/28/563019928.db2.gz UEJBOCXPGHSONP-FQEVSTJZSA-N 1 0 482.609 4.710 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000057222679 569594739 /nfs/dbraw/zinc/59/47/39/569594739.db2.gz GUIWINVZXSLENV-UHFFFAOYSA-N 1 0 463.965 4.701 50 0 JJAARO O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057251244 569594870 /nfs/dbraw/zinc/59/48/70/569594870.db2.gz KFXZZOARGZJURO-LFIBNONCSA-N 1 0 456.615 4.535 50 0 JJAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1Cl ZINC000057251265 569594979 /nfs/dbraw/zinc/59/49/79/569594979.db2.gz XTASIUFBUFBYDI-UHFFFAOYSA-N 1 0 465.022 4.789 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000057238692 569595000 /nfs/dbraw/zinc/59/50/00/569595000.db2.gz CMGKROROKJUCBZ-UHFFFAOYSA-N 1 0 493.991 4.710 50 0 JJAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983902 569607182 /nfs/dbraw/zinc/60/71/82/569607182.db2.gz TYTNAWDAJDOLNT-ONUIUJJFSA-N 1 0 487.987 4.890 50 0 JJAARO C[N@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2)Cc1ccccc1 ZINC000032983998 569607273 /nfs/dbraw/zinc/60/72/73/569607273.db2.gz QFZBFQUEHNLKAS-PCLIKHOPSA-N 1 0 475.976 4.964 50 0 JJAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)C1 ZINC000060207260 569608514 /nfs/dbraw/zinc/60/85/14/569608514.db2.gz JALYRGWJFKKHLB-CQSZACIVSA-N 1 0 462.438 4.760 50 0 JJAARO O=C(c1ccccc1Oc1ccccc1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000060274557 569608639 /nfs/dbraw/zinc/60/86/39/569608639.db2.gz MERMYXTWYWXXFK-QHCPKHFHSA-N 1 0 456.590 4.548 50 0 JJAARO CCn1c(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000032986421 569608878 /nfs/dbraw/zinc/60/88/78/569608878.db2.gz FVGAWRGZQVBUIE-SFHVURJKSA-N 1 0 490.460 4.755 50 0 JJAARO C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000033331709 569624220 /nfs/dbraw/zinc/62/42/20/569624220.db2.gz VSHKJGLVEWLCJJ-MUUNZHRXSA-N 1 0 490.673 4.641 50 0 JJAARO CC[N@H+](CCCNC(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1)Cc1ccccc1 ZINC000064872708 569640710 /nfs/dbraw/zinc/64/07/10/569640710.db2.gz RIGVJKAJGKGDIO-UHFFFAOYSA-N 1 0 471.649 4.697 50 0 JJAARO O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NCC[NH+]1CCCCC1 ZINC000034679827 569642767 /nfs/dbraw/zinc/64/27/67/569642767.db2.gz FAGXZXGNBPWVTN-UHFFFAOYSA-N 1 0 455.602 4.678 50 0 JJAARO CC(C)CC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034679943 569642918 /nfs/dbraw/zinc/64/29/18/569642918.db2.gz QVIWYGOLQCYZQO-UHFFFAOYSA-N 1 0 453.602 4.550 50 0 JJAARO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1 ZINC000034681703 569643459 /nfs/dbraw/zinc/64/34/59/569643459.db2.gz PGXRETXQSUGSLQ-UHFFFAOYSA-N 1 0 468.960 4.604 50 0 JJAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3Cl)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681915 569643635 /nfs/dbraw/zinc/64/36/35/569643635.db2.gz ANWHIZGWYOZHGL-UHFFFAOYSA-N 1 0 456.924 4.978 50 0 JJAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c1 ZINC000034683126 569644297 /nfs/dbraw/zinc/64/42/97/569644297.db2.gz JXJSQLIAMNTLRP-UHFFFAOYSA-N 1 0 450.535 4.617 50 0 JJAARO COc1ccc(CC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000034698020 569647684 /nfs/dbraw/zinc/64/76/84/569647684.db2.gz OXULMEOYRDHALJ-QPPBQGQZSA-N 1 0 460.540 4.985 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1)Cc1ccccc1 ZINC000065023530 569649792 /nfs/dbraw/zinc/64/97/92/569649792.db2.gz JRLZYJKZTMKBKW-XMMPIXPASA-N 1 0 475.612 4.528 50 0 JJAARO CC(C)CN(C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740471 569655243 /nfs/dbraw/zinc/65/52/43/569655243.db2.gz JJSZOWJOKYPELU-ISKFKSNPSA-N 1 0 454.586 4.911 50 0 JJAARO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)s3)no2)cc1 ZINC000065062893 569656208 /nfs/dbraw/zinc/65/62/08/569656208.db2.gz VLZFFZKNGSHPGU-UHFFFAOYSA-N 1 0 462.575 4.726 50 0 JJAARO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)s3)no2)cc1 ZINC000065062901 569656234 /nfs/dbraw/zinc/65/62/34/569656234.db2.gz HGEPGWORGFTPFT-UHFFFAOYSA-N 1 0 454.596 4.858 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830239 569663628 /nfs/dbraw/zinc/66/36/28/569663628.db2.gz ZHSNHDKMAJVTCV-MHZLTWQESA-N 1 0 481.706 4.891 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)CCc3ccccc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831302 569664109 /nfs/dbraw/zinc/66/41/09/569664109.db2.gz RSJKDRZYHBHVMF-UHFFFAOYSA-N 1 0 491.655 4.832 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)C3CCCCC3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831231 569664217 /nfs/dbraw/zinc/66/42/17/569664217.db2.gz YGBFCNZHEZZLKC-UHFFFAOYSA-N 1 0 451.659 4.640 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)NC(C)(C)C ZINC000034832188 569664483 /nfs/dbraw/zinc/66/44/83/569664483.db2.gz JGENHXCFJGWARU-LJQANCHMSA-N 1 0 472.653 4.570 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3ccccc3C)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835869 569665115 /nfs/dbraw/zinc/66/51/15/569665115.db2.gz OONXFFCWVKYHNU-UHFFFAOYSA-N 1 0 490.627 4.967 50 0 JJAARO CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1CN(CC)Cc1ccccc1OC ZINC000034836715 569665812 /nfs/dbraw/zinc/66/58/12/569665812.db2.gz WEDVFUVZKHNDGJ-UHFFFAOYSA-N 1 0 461.654 4.526 50 0 JJAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccc2c(c1)OCO2)C(C)C ZINC000034836828 569665823 /nfs/dbraw/zinc/66/58/23/569665823.db2.gz GMKXDIKYYGSTJZ-UHFFFAOYSA-N 1 0 489.664 4.716 50 0 JJAARO CCOCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000065314994 569672642 /nfs/dbraw/zinc/67/26/42/569672642.db2.gz YHUDINJVWNLIDE-UHFFFAOYSA-N 1 0 451.586 4.584 50 0 JJAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035372707 569683079 /nfs/dbraw/zinc/68/30/79/569683079.db2.gz VTGXBQYQOFLAKR-UHFFFAOYSA-N 1 0 458.990 4.783 50 0 JJAARO Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(F)cc1 ZINC000035372831 569683245 /nfs/dbraw/zinc/68/32/45/569683245.db2.gz VZMWUEYAPPLSMS-UHFFFAOYSA-N 1 0 458.990 4.783 50 0 JJAARO CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372981 569683492 /nfs/dbraw/zinc/68/34/92/569683492.db2.gz KEIGLRCSDNDLDP-UHFFFAOYSA-N 1 0 468.598 4.610 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397194 569687951 /nfs/dbraw/zinc/68/79/51/569687951.db2.gz LGZGNRXMMWRXBV-UHFFFAOYSA-N 1 0 489.414 4.583 50 0 JJAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000068822143 569692350 /nfs/dbraw/zinc/69/23/50/569692350.db2.gz PNZLOFLJWDQBHN-HXUWFJFHSA-N 1 0 496.652 4.731 50 0 JJAARO Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000069615386 569693484 /nfs/dbraw/zinc/69/34/84/569693484.db2.gz MEJIAVHTNJGTBW-LPHOPBHVSA-N 1 0 498.718 4.771 50 0 JJAARO Cc1noc(C)c1CCC(=O)N(C[C@@H]1CCC[N@@H+]1CC1CCCCC1)C(=O)CCc1c(C)noc1C ZINC000069841321 569693803 /nfs/dbraw/zinc/69/38/03/569693803.db2.gz WLLIUGDDQXABQA-DEOSSOPVSA-N 1 0 498.668 4.862 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000035447438 569696137 /nfs/dbraw/zinc/69/61/37/569696137.db2.gz MUIWVQMGXZHABI-RUZDIDTESA-N 1 0 482.068 4.653 50 0 JJAARO Cc1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)C2)c1 ZINC000035447465 569696178 /nfs/dbraw/zinc/69/61/78/569696178.db2.gz NYXMFYUREPWZLP-DEOSSOPVSA-N 1 0 468.041 4.529 50 0 JJAARO Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NCC[NH+]5CCCCC5)CC4)ccc3o2)cc1 ZINC000035454661 569697549 /nfs/dbraw/zinc/69/75/49/569697549.db2.gz DLVRCOUNRJTQMB-UHFFFAOYSA-N 1 0 488.632 4.648 50 0 JJAARO CCn1c(C)c(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c2ccccc21 ZINC000035562292 569704787 /nfs/dbraw/zinc/70/47/87/569704787.db2.gz JDLWWJRRMSSRFQ-UHFFFAOYSA-N 1 0 462.613 4.670 50 0 JJAARO CC(C)c1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1 ZINC000035671572 569706250 /nfs/dbraw/zinc/70/62/50/569706250.db2.gz NBFFYZWUYAKIGL-GOSISDBHSA-N 1 0 468.648 4.853 50 0 JJAARO Cc1c(OCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000079192282 569707159 /nfs/dbraw/zinc/70/71/59/569707159.db2.gz UDKCRUIENDYBPS-JYFHCDHNSA-N 1 0 488.628 4.760 50 0 biogenic JJAARO Cc1cc(NC(=O)[C@H](C)SCC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)no1 ZINC000084119753 569708919 /nfs/dbraw/zinc/70/89/19/569708919.db2.gz ZVXYHPOTOKXNKE-NRFANRHFSA-N 1 0 494.661 4.613 50 0 JJAARO 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 569711629 /nfs/dbraw/zinc/71/16/29/569711629.db2.gz NWZOJQQDEHLRJJ-FRGOEROOSA-N 1 0 491.591 4.626 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000035869749 569718126 /nfs/dbraw/zinc/71/81/26/569718126.db2.gz JNOZEOYPSPQZGZ-AHWVRZQESA-N 1 0 479.546 4.885 50 0 JJAARO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871982 569719055 /nfs/dbraw/zinc/71/90/55/569719055.db2.gz NLHFZAPXSSZYHM-ISKFKSNPSA-N 1 0 475.530 4.766 50 0 JJAARO COc1cc(C(=O)OCCCC2CC[NH+](CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000096027422 569731947 /nfs/dbraw/zinc/73/19/47/569731947.db2.gz WZNQTEMBNOWBFZ-UHFFFAOYSA-N 1 0 455.595 4.994 50 0 JJAARO C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CC[NH+](C)C ZINC000098023177 569749851 /nfs/dbraw/zinc/74/98/51/569749851.db2.gz DUYJMQONPNNFPI-UHFFFAOYSA-N 1 0 499.619 4.510 50 0 fda JJAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1ccc(F)cc1 ZINC000036312648 569760298 /nfs/dbraw/zinc/76/02/98/569760298.db2.gz XVHMGXHHRGGTTK-UHFFFAOYSA-N 1 0 450.558 4.675 50 0 JJAARO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2c(-c3ccccc3)noc2N2CCCCC2)cc1 ZINC000036312658 569760321 /nfs/dbraw/zinc/76/03/21/569760321.db2.gz IFBQEDUMWXJDRO-UHFFFAOYSA-N 1 0 462.594 4.545 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H](O)COCc1ccco1 ZINC000036313069 569760582 /nfs/dbraw/zinc/76/05/82/569760582.db2.gz GXZSUAVRULGIQX-UPVQGACJSA-N 1 0 497.636 4.730 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccccc1 ZINC000036313015 569760589 /nfs/dbraw/zinc/76/05/89/569760589.db2.gz VYUROFDKFFRJRB-AREMUKBSSA-N 1 0 493.648 4.748 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H](O)COCc1ccco1 ZINC000036313068 569760688 /nfs/dbraw/zinc/76/06/88/569760688.db2.gz GXZSUAVRULGIQX-VWNXMTODSA-N 1 0 497.636 4.730 50 0 JJAARO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313944 569761627 /nfs/dbraw/zinc/76/16/27/569761627.db2.gz YYCLNHPXEHMKHG-JOCHJYFZSA-N 1 0 467.610 4.888 50 0 JJAARO CC(C)OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316182 569762315 /nfs/dbraw/zinc/76/23/15/569762315.db2.gz NAAAXKDGLFLZIZ-OAQYLSRUSA-N 1 0 453.558 4.769 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)COCC ZINC000036316437 569763104 /nfs/dbraw/zinc/76/31/04/569763104.db2.gz HHUZUOJALFLVBB-JOCHJYFZSA-N 1 0 467.610 4.845 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1 ZINC000036340455 569763962 /nfs/dbraw/zinc/76/39/62/569763962.db2.gz QQMCGYGLTKFSAU-NDEPHWFRSA-N 1 0 478.640 4.768 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)[C@@H](C)CC ZINC000036341993 569765105 /nfs/dbraw/zinc/76/51/05/569765105.db2.gz PXXOSACPAXYLMW-REWPJTCUSA-N 1 0 467.610 4.980 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3cccc(OC)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037572230 569795916 /nfs/dbraw/zinc/79/59/16/569795916.db2.gz GDSDYENJWRGYHO-UHFFFAOYSA-N 1 0 480.630 4.872 50 0 JJAARO CCc1cc([C@H](c2ccc(OC)c(OC)c2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546552 569803248 /nfs/dbraw/zinc/80/32/48/569803248.db2.gz JXSYCTXUTZSNGJ-DEOSSOPVSA-N 1 0 483.634 4.900 50 0 JJAARO CCc1cc([C@@H](c2ccc(OC)cc2)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546527 569803289 /nfs/dbraw/zinc/80/32/89/569803289.db2.gz AFHOHCVEFMKAPM-HSZRJFAPSA-N 1 0 453.608 4.891 50 0 JJAARO Cc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCCCC4)N32)c1 ZINC000101919984 569807870 /nfs/dbraw/zinc/80/78/70/569807870.db2.gz OUACGPOZZTZXDW-RUZDIDTESA-N 1 0 496.677 4.514 50 0 JJAARO Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)[C@H]2c2cccs2)cc1 ZINC000039563900 569810842 /nfs/dbraw/zinc/81/08/42/569810842.db2.gz XEPAUBYDQBQTST-DHLKQENFSA-N 1 0 453.652 4.730 50 0 JJAARO CN(C)S(=O)(=O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(Cl)cc3Cl)o2)cc1 ZINC000040023701 569814073 /nfs/dbraw/zinc/81/40/73/569814073.db2.gz BDZHCVWQZJNOEJ-UHFFFAOYSA-N 1 0 453.391 4.836 50 0 JJAARO CC(C)([NH2+]CC(=O)Nc1ccccc1I)c1ccc(Br)cc1 ZINC000040149543 569819258 /nfs/dbraw/zinc/81/92/58/569819258.db2.gz DCAWECAZDRKUKY-UHFFFAOYSA-N 1 0 473.152 4.517 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355474 569823846 /nfs/dbraw/zinc/82/38/46/569823846.db2.gz TUIHLTGLCBKKPF-CYBMUJFWSA-N 1 0 455.411 4.697 50 0 JJAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)c1 ZINC000040414755 569827953 /nfs/dbraw/zinc/82/79/53/569827953.db2.gz GJZAMYSUCIAWMU-UHFFFAOYSA-N 1 0 450.535 4.617 50 0 JJAARO O=C(CCCc1cn(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc12)N1CCCCCC1 ZINC000043746800 569838333 /nfs/dbraw/zinc/83/83/33/569838333.db2.gz XHOKXAICBKRPCR-NOZRDPDXSA-N 1 0 486.660 4.605 50 0 biogenic JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983607 569848224 /nfs/dbraw/zinc/84/82/24/569848224.db2.gz OBJCWMGQDYCHLO-VQTJNVASSA-N 1 0 479.404 4.693 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@H](O)Cc1ccccc1 ZINC000105002849 569849227 /nfs/dbraw/zinc/84/92/27/569849227.db2.gz LWOWHYDKQFPAKV-SHQCIBLASA-N 1 0 492.685 4.877 50 0 JJAARO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677747 569868918 /nfs/dbraw/zinc/86/89/18/569868918.db2.gz NLHFZAPXSSZYHM-UPVQGACJSA-N 1 0 475.530 4.766 50 0 JJAARO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169677750 569868952 /nfs/dbraw/zinc/86/89/52/569868952.db2.gz YPEURFYYLXTQCU-VWNXMTODSA-N 1 0 473.539 4.958 50 0 JJAARO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@@H]12 ZINC000169678706 569869199 /nfs/dbraw/zinc/86/91/99/569869199.db2.gz ILWGUXWWMDHOTC-GGAORHGYSA-N 1 0 461.528 4.610 50 0 JJAARO C[C@@H]1CCc2c(sc3nc(C[N@H+](C[C@@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000169679141 569869538 /nfs/dbraw/zinc/86/95/38/569869538.db2.gz XMOWRIKPWSDFRI-DENIHFKCSA-N 1 0 495.689 4.822 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000169679379 569869786 /nfs/dbraw/zinc/86/97/86/569869786.db2.gz PVTOUNJWNJSZKA-VWNXMTODSA-N 1 0 472.944 4.645 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)C[C@@H](O)COC(C)C ZINC000169680108 569870243 /nfs/dbraw/zinc/87/02/43/569870243.db2.gz XYAKCLOLUWCLFI-XMMPIXPASA-N 1 0 451.611 4.976 50 0 JJAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](O)Cc2ccccc2)C(C)C)c1 ZINC000169680134 569870265 /nfs/dbraw/zinc/87/02/65/569870265.db2.gz QJWASZDUTMMKQO-RPLLCQBOSA-N 1 0 492.685 4.875 50 0 JJAARO 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 570040939 /nfs/dbraw/zinc/04/09/39/570040939.db2.gz NWZOJQQDEHLRJJ-WWPKSBKISA-N 1 0 491.591 4.626 50 0 JJAARO CCCC[N@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230075930 570044403 /nfs/dbraw/zinc/04/44/03/570044403.db2.gz XBGKNLSIKIWAAN-RPWUZVMVSA-N 1 0 465.619 4.670 50 0 JJAARO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)CC2)cc1 ZINC000230129067 570045418 /nfs/dbraw/zinc/04/54/18/570045418.db2.gz QNPWPIURSIXVIU-DNQXCXABSA-N 1 0 477.649 4.511 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000230138060 570045932 /nfs/dbraw/zinc/04/59/32/570045932.db2.gz BJBXHKUAPONEOC-RSXGOPAZSA-N 1 0 496.076 4.632 50 0 JJAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000230156910 570046085 /nfs/dbraw/zinc/04/60/85/570046085.db2.gz BEGNDCGQVPUYOS-XCZPVHLTSA-N 1 0 471.004 4.996 50 0 JJAARO Cc1ccnc(C)c1C(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@@H](C)C2)CC1 ZINC000239808075 570052697 /nfs/dbraw/zinc/05/26/97/570052697.db2.gz KGIVOOFIUKTPAT-INIZCTEOSA-N 1 0 495.977 4.581 50 0 JJAARO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C)CC1 ZINC000240122399 570052972 /nfs/dbraw/zinc/05/29/72/570052972.db2.gz VYJZTUUHWKPPHK-IBGZPJMESA-N 1 0 460.544 4.533 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245234519 570056862 /nfs/dbraw/zinc/05/68/62/570056862.db2.gz BSQKNGLCBQSICK-LYZGTLIUSA-N 1 0 482.669 4.942 50 0 JJAARO Cc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245279026 570061261 /nfs/dbraw/zinc/06/12/61/570061261.db2.gz AVPVLOZXCKHZIA-AOYPEHQESA-N 1 0 493.648 4.955 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245280753 570061962 /nfs/dbraw/zinc/06/19/62/570061962.db2.gz RSYVSFBVHDATSC-ILBGXUMGSA-N 1 0 479.621 4.646 50 0 JJAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000247985823 570072057 /nfs/dbraw/zinc/07/20/57/570072057.db2.gz INVFYEJRKXCUNN-NRFANRHFSA-N 1 0 480.056 4.831 50 0 JJAARO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988556 570072196 /nfs/dbraw/zinc/07/21/96/570072196.db2.gz JTMQYPCKIRZJKZ-QGZVFWFLSA-N 1 0 455.400 4.525 50 0 JJAARO CC(C)N(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248006189 570072665 /nfs/dbraw/zinc/07/26/65/570072665.db2.gz ONFMMFXCNUDMJG-SFHVURJKSA-N 1 0 469.427 4.867 50 0 JJAARO O=C(CC[C@@]1(Cc2cccc3ccccc32)CCC(=O)N1)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000299766516 570175344 /nfs/dbraw/zinc/17/53/44/570175344.db2.gz JMOBASJMPCGTLB-DICHSLLOSA-N 1 0 497.683 4.882 50 0 JJAARO Cc1cc(=O)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c2n1-c1ccccc1S[C@@H](c1ccc(F)c(F)c1)C2 ZINC000299782055 570176429 /nfs/dbraw/zinc/17/64/29/570176429.db2.gz XXMSNVHGOYAGTN-AVRWGWEMSA-N 1 0 495.595 4.590 50 0 JJAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH2+]Cc3cn4ccccc4n3)CC2)cc1)c1ccccc1 ZINC000299788715 570176798 /nfs/dbraw/zinc/17/67/98/570176798.db2.gz ZRCRYKVMSTUPLA-OAQYLSRUSA-N 1 0 453.590 4.584 50 0 JJAARO CCOc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5CCSCC5)cc4c3)CC2)cc1 ZINC000299791116 570176945 /nfs/dbraw/zinc/17/69/45/570176945.db2.gz CIYDLMFIPJWASX-UHFFFAOYSA-N 1 0 480.630 4.504 50 0 JJAARO COC(=O)c1c(C)c(C)sc1NC(=O)CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000002433149 194161001 /nfs/dbraw/zinc/16/10/01/194161001.db2.gz IWPWPOQEYJTQHH-RZTXVSJASA-N 1 0 474.598 4.597 50 0 aggregator JJAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000002234271 194158563 /nfs/dbraw/zinc/15/85/63/194158563.db2.gz AOWDMULDHNLFER-UHFFFAOYSA-N 1 0 450.377 4.558 50 0 JJAARO Cc1nnc(Sc2cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)s1 ZINC000003027430 194211660 /nfs/dbraw/zinc/21/16/60/194211660.db2.gz CVDACWAPOJYXLM-HOTGVXAUSA-N 1 0 455.653 4.644 50 0 JJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2c(F)cccc2Cl)C(=O)CS3)C1 ZINC000003645484 194348581 /nfs/dbraw/zinc/34/85/81/194348581.db2.gz PPBYPUHDNZHFBK-QGZVFWFLSA-N 1 0 490.044 4.970 50 0 JJAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2c(F)cccc2Cl)C(=O)CS3)C1 ZINC000003645482 194348609 /nfs/dbraw/zinc/34/86/09/194348609.db2.gz PPBYPUHDNZHFBK-KRWDZBQOSA-N 1 0 490.044 4.970 50 0 JJAARO CC[NH+](CC)C[C@@H](C)CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000003645489 194348615 /nfs/dbraw/zinc/34/86/15/194348615.db2.gz MIKMUPHVZLSLDP-INIZCTEOSA-N 1 0 478.033 4.826 50 0 JJAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000004110650 194379368 /nfs/dbraw/zinc/37/93/68/194379368.db2.gz CRSOWHHHORJQCN-UHFFFAOYSA-N 1 0 453.970 4.840 50 0 JJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757255 194394757 /nfs/dbraw/zinc/39/47/57/194394757.db2.gz NYXUZXLYMOPKAI-BDYUSTAISA-N 1 0 481.612 4.557 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000004757267 194394833 /nfs/dbraw/zinc/39/48/33/194394833.db2.gz YVYMPKBXSAUQME-AHWVRZQESA-N 1 0 469.601 4.557 50 0 JJAARO Cc1oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000008992179 194497939 /nfs/dbraw/zinc/49/79/39/194497939.db2.gz VOYXIBYNPQMNJX-UHFFFAOYSA-N 1 0 482.580 4.928 50 0 biogenic JJAARO Cc1cccc([S@](=O)Cc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000009115382 194535029 /nfs/dbraw/zinc/53/50/29/194535029.db2.gz XIXHTBDBDNRHHU-UMSFTDKQSA-N 1 0 478.658 4.970 50 0 JJAARO Brc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH2+]CC2)s1 ZINC000009209692 194597386 /nfs/dbraw/zinc/59/73/86/194597386.db2.gz JTLDGTMWTTYYFO-AWEZNQCLSA-N 1 0 483.229 4.896 50 0 JJAARO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289265 194665176 /nfs/dbraw/zinc/66/51/76/194665176.db2.gz RTDYDHQIQUWHHU-QFIPXVFZSA-N 1 0 474.630 4.652 50 0 JJAARO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c12 ZINC000009610395 194813837 /nfs/dbraw/zinc/81/38/37/194813837.db2.gz YLVYMCLHBNTYPV-UHFFFAOYSA-N 1 0 452.002 4.781 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009908022 195018910 /nfs/dbraw/zinc/01/89/10/195018910.db2.gz BCPOGUCDUVCGNX-UHFFFAOYSA-N 1 0 450.366 4.564 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)[NH+]2CCCCC2)cc1 ZINC000009911908 195022086 /nfs/dbraw/zinc/02/20/86/195022086.db2.gz ITKSMODRUVKXHY-HSZRJFAPSA-N 1 0 467.013 4.859 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)[NH+]2CCCCC2)cc1 ZINC000009911903 195022106 /nfs/dbraw/zinc/02/21/06/195022106.db2.gz ITKSMODRUVKXHY-QHCPKHFHSA-N 1 0 467.013 4.859 50 0 JJAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000012742663 195101415 /nfs/dbraw/zinc/10/14/15/195101415.db2.gz QJYBRIKPRLTKIV-UHFFFAOYSA-N 1 0 487.025 4.875 50 0 JJAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c2)cc1F ZINC000012760951 195110706 /nfs/dbraw/zinc/11/07/06/195110706.db2.gz APRHQCQAAPRTIJ-RUZDIDTESA-N 1 0 481.593 4.502 50 0 JJAARO COc1ccc(C[N@H+](CC(=O)NCc2ccc(OC)c(OC)c2)[C@H](C)Cc2cccs2)cc1 ZINC000012768194 195115741 /nfs/dbraw/zinc/11/57/41/195115741.db2.gz XTIPOXSCHQGXIH-LJQANCHMSA-N 1 0 468.619 4.524 50 0 JJAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000012797798 195137210 /nfs/dbraw/zinc/13/72/10/195137210.db2.gz ODLXTEFVUCMDTB-ZEQKJWHPSA-N 1 0 486.682 4.524 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+]1CCCC1 ZINC000012801429 195139364 /nfs/dbraw/zinc/13/93/64/195139364.db2.gz FSCMVUFEMZIDSB-FYYLOGMGSA-N 1 0 492.447 4.710 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000012803192 195140468 /nfs/dbraw/zinc/14/04/68/195140468.db2.gz RTDDWSOWWIVRAO-QHCPKHFHSA-N 1 0 483.659 4.733 50 0 JJAARO COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)[NH+]2CCCC2)c1 ZINC000012807334 195142342 /nfs/dbraw/zinc/14/23/42/195142342.db2.gz BYIGIVOUTMVPLL-PKTZIBPZSA-N 1 0 492.447 4.710 50 0 JJAARO c1ccc(SCc2nc3sc4c(c3c(NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)n2)CCC4)cc1 ZINC000012894238 195174723 /nfs/dbraw/zinc/17/47/23/195174723.db2.gz AWXMUJFNNCJKCY-GHTZIAJQSA-N 1 0 496.702 4.622 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000012906208 195179729 /nfs/dbraw/zinc/17/97/29/195179729.db2.gz KTNCTLOMNNQRAH-UHFFFAOYSA-N 1 0 478.058 4.550 50 0 JJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@H](C)C[C@@H](C)C4)cc3NC2=O)cc1 ZINC000020734094 195211808 /nfs/dbraw/zinc/21/18/08/195211808.db2.gz KQEHRABQPQLMIM-QIHAAUELSA-N 1 0 479.646 4.878 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCCC2)C1 ZINC000020902850 195242061 /nfs/dbraw/zinc/24/20/61/195242061.db2.gz VCEBYYHMPKPPLO-KERYWQKISA-N 1 0 478.681 4.673 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903417 195243287 /nfs/dbraw/zinc/24/32/87/195243287.db2.gz CZLFGPGOHKLNOZ-ZTOMLWHTSA-N 1 0 478.681 4.959 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000020904345 195244069 /nfs/dbraw/zinc/24/40/69/195244069.db2.gz FOCFZJIGBFDPMI-SVBPBHIXSA-N 1 0 487.669 4.859 50 0 JJAARO O=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccc(F)cc2)c1C1CC[NH2+]CC1 ZINC000020941282 195255495 /nfs/dbraw/zinc/25/54/95/195255495.db2.gz UGMVGSXSXFMXIZ-UHFFFAOYSA-N 1 0 461.310 4.632 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](CCc3cccs3)CC2)c2ccccc2c1=O ZINC000020941564 195255986 /nfs/dbraw/zinc/25/59/86/195255986.db2.gz IQJBBGUNWPYEGZ-UHFFFAOYSA-N 1 0 466.651 4.795 50 0 JJAARO Cc1ccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)c3ccc(-c4cc(C(F)(F)F)on4)s3)C2)cc1 ZINC000020978082 195258541 /nfs/dbraw/zinc/25/85/41/195258541.db2.gz VVMWVYCADZBQDZ-MRXNPFEDSA-N 1 0 485.553 4.531 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000020927870 195249637 /nfs/dbraw/zinc/24/96/37/195249637.db2.gz CCULZWAKSXRYGP-SFHVURJKSA-N 1 0 471.001 4.648 50 0 JJAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccn4)CC3)cc3ccccc32)cc1 ZINC000021116181 195278432 /nfs/dbraw/zinc/27/84/32/195278432.db2.gz CIISXLLUQXAPMV-UHFFFAOYSA-N 1 0 452.602 4.921 50 0 JJAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159597 195286256 /nfs/dbraw/zinc/28/62/56/195286256.db2.gz VNVOTMURJIFJDL-UHFFFAOYSA-N 1 0 475.681 4.766 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162380 195287764 /nfs/dbraw/zinc/28/77/64/195287764.db2.gz PUUDYXXVWCFFHF-UHFFFAOYSA-N 1 0 491.655 4.822 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526008 195304765 /nfs/dbraw/zinc/30/47/65/195304765.db2.gz ZXQHCCHVALDCJX-SANMLTNESA-N 1 0 472.699 4.878 50 0 JJAARO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611533 195353650 /nfs/dbraw/zinc/35/36/50/195353650.db2.gz ALAJCMSTJNXVPA-CJFMBICVSA-N 1 0 462.638 4.997 50 0 JJAARO CCOC(=O)c1sc2nc(C)nc(N[C@@H](C[N@H+](C)C3CCN(C)CC3)c3ccccc3)c2c1C ZINC000058160024 195368287 /nfs/dbraw/zinc/36/82/87/195368287.db2.gz ZWKCMAIJESXFGB-NRFANRHFSA-N 1 0 481.666 4.664 50 0 JJAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160793 195368894 /nfs/dbraw/zinc/36/88/94/195368894.db2.gz UTUGWPSKTQMAEX-PMACEKPBSA-N 1 0 465.619 4.590 50 0 JJAARO COc1ccccc1O[C@H](CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000096281672 130028467 /nfs/dbraw/zinc/02/84/67/130028467.db2.gz LCVUYTWCEYBMGK-XMMPIXPASA-N 1 0 478.564 4.891 50 0 JJAARO C[C@@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290448 130039825 /nfs/dbraw/zinc/03/98/25/130039825.db2.gz UOXUYEXXSQJXRF-HNNXBMFYSA-N 1 0 463.384 4.846 50 0 JJAARO Cc1c2cc(C)ccc2oc1-c1nnc(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000096324158 130068385 /nfs/dbraw/zinc/06/83/85/130068385.db2.gz BFYIIZLQUCXGKU-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO CC(C)[N@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@H](O)COc1cccc2ccccc21 ZINC000034857960 519652219 /nfs/dbraw/zinc/65/22/19/519652219.db2.gz DQYQYRAEMPPNHJ-PKTZIBPZSA-N 1 0 457.998 4.521 50 0 JJAARO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C[C@H](O)Cc1ccccc1 ZINC000036161466 519652799 /nfs/dbraw/zinc/65/27/99/519652799.db2.gz LYGLZGJXFZAWCO-AZUAARDMSA-N 1 0 453.652 4.561 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146136 519773740 /nfs/dbraw/zinc/77/37/40/519773740.db2.gz QHKWLNBGJNTFPS-YADHBBJMSA-N 1 0 468.491 4.626 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036308295 519773921 /nfs/dbraw/zinc/77/39/21/519773921.db2.gz RSYVSFBVHDATSC-NOZRDPDXSA-N 1 0 479.621 4.646 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146376 519881444 /nfs/dbraw/zinc/88/14/44/519881444.db2.gz CUZFNRYZTOZFNS-UXHICEINSA-N 1 0 497.394 4.832 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302323 520095917 /nfs/dbraw/zinc/09/59/17/520095917.db2.gz QWGHOGGOZYVWJD-QHCPKHFHSA-N 1 0 465.594 4.591 50 0 JJAARO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)[C@@H](C)C(C)(C)O ZINC000036310216 520317754 /nfs/dbraw/zinc/31/77/54/520317754.db2.gz DPLQSDFGFXYKHN-WMZHIEFXSA-N 1 0 458.668 4.858 50 0 JJAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)c1 ZINC000023334697 520628198 /nfs/dbraw/zinc/62/81/98/520628198.db2.gz RQCQCXIIKGFKNF-GOSISDBHSA-N 1 0 452.603 4.594 50 0 JJAARO CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCN(c3ccc(C(=O)NCc4cccnc4)cc3)CC1)=CC2 ZINC000012218567 520643127 /nfs/dbraw/zinc/64/31/27/520643127.db2.gz LGPVMEVEMQLJTM-IGKIAQTJSA-N 1 0 458.650 4.953 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008590271 520682037 /nfs/dbraw/zinc/68/20/37/520682037.db2.gz COCCXNULJWMJAC-UHFFFAOYSA-N 1 0 473.646 4.844 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)CC ZINC000036309237 521535288 /nfs/dbraw/zinc/53/52/88/521535288.db2.gz FHYRAIYUBUFYMA-QPPBQGQZSA-N 1 0 458.668 4.859 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036305875 521678746 /nfs/dbraw/zinc/67/87/46/521678746.db2.gz QRBZJDYISNHMDO-JOCHJYFZSA-N 1 0 467.610 4.886 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COCc1ccco1 ZINC000036249852 521679499 /nfs/dbraw/zinc/67/94/99/521679499.db2.gz IMBVSDPZULPMAG-QFIPXVFZSA-N 1 0 453.583 4.715 50 0 JJAARO COCCn1c(C)cc(O)c([C@H](c2cccc(OC)c2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993397 522065438 /nfs/dbraw/zinc/06/54/38/522065438.db2.gz CJUUSCZZOBUTPL-NDEPHWFRSA-N 1 0 476.617 4.561 50 0 JJAARO CC[C@@H](C)[N@H+](CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000020509006 522089487 /nfs/dbraw/zinc/08/94/87/522089487.db2.gz FJESBMXAQHQHLY-HXUWFJFHSA-N 1 0 473.573 4.623 50 0 JJAARO CC[C@H]([NH2+]Cc1cnc(SC)nc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000023334772 522664116 /nfs/dbraw/zinc/66/41/16/522664116.db2.gz MZLDJGHHYXMOPZ-QHCPKHFHSA-N 1 0 451.615 4.905 50 0 JJAARO C[N@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1)Cc1ccccc1 ZINC000021864149 522745949 /nfs/dbraw/zinc/74/59/49/522745949.db2.gz KPMIROWAHZZCQL-GDLZYMKVSA-N 1 0 488.632 4.544 50 0 JJAARO C[N@H+](CCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)Cc1ccccc1 ZINC000033035789 522861709 /nfs/dbraw/zinc/86/17/09/522861709.db2.gz GDVDOZCETXTVQG-AREMUKBSSA-N 1 0 470.617 4.960 50 0 JJAARO COCc1ccc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)o1 ZINC000014961443 522971140 /nfs/dbraw/zinc/97/11/40/522971140.db2.gz HXQFTPRBCCHCKO-QHCPKHFHSA-N 1 0 496.677 4.911 50 0 JJAARO COc1cc2c(c(OCc3ccccc3)c1OC)CC[N@H+](C)[C@@H]2Cc1ccc(OC(C)=O)cc1 ZINC000004566002 522993410 /nfs/dbraw/zinc/99/34/10/522993410.db2.gz OETZPYPBIYXPFK-RUZDIDTESA-N 1 0 461.558 4.980 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168861 523020867 /nfs/dbraw/zinc/02/08/67/523020867.db2.gz YNUDKDOMOIZYGL-YADHBBJMSA-N 1 0 467.683 4.615 50 0 JJAARO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370988 523105572 /nfs/dbraw/zinc/10/55/72/523105572.db2.gz UHJMVOIXJUEBBJ-LAUBAEHRSA-N 1 0 470.520 4.764 50 0 JJAARO COc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)Cc4ccccc4)nc(=O)c23)cc1 ZINC000036206271 523172478 /nfs/dbraw/zinc/17/24/78/523172478.db2.gz PQAVMHNMGWIILN-NRFANRHFSA-N 1 0 477.630 4.722 50 0 JJAARO COc1ccc(-c2nc3cc(SC)ccc3cc2C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000014993463 523230276 /nfs/dbraw/zinc/23/02/76/523230276.db2.gz NJDADMDVHVBCQI-UHFFFAOYSA-N 1 0 479.627 4.570 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COCC(C)C ZINC000036306936 523735184 /nfs/dbraw/zinc/73/51/84/523735184.db2.gz NASHMIUUJAINTQ-QHCPKHFHSA-N 1 0 485.600 4.500 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036306025 523735578 /nfs/dbraw/zinc/73/55/78/523735578.db2.gz XWOGRYPRKUYWSS-JOCHJYFZSA-N 1 0 497.636 4.512 50 0 JJAARO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2CCCC2)C3=O)s1 ZINC000021809937 523846497 /nfs/dbraw/zinc/84/64/97/523846497.db2.gz LLALWLNLEUZCGS-HHHXNRCGSA-N 1 0 484.710 4.805 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccc(F)cc4)CC3)C2)s1 ZINC000033078458 523850412 /nfs/dbraw/zinc/85/04/12/523850412.db2.gz YKYXMOHPTZTCKW-NRFANRHFSA-N 1 0 495.668 4.638 50 0 JJAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000014777613 523926171 /nfs/dbraw/zinc/92/61/71/523926171.db2.gz IMBWFWCHHKTTSH-UHFFFAOYSA-N 1 0 459.377 4.972 50 0 JJAARO COCCNC(=O)c1ccc(OC2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)c(OC)c1 ZINC000045303021 523926485 /nfs/dbraw/zinc/92/64/85/523926485.db2.gz OJJDNWTWXGXAOJ-UHFFFAOYSA-N 1 0 488.628 4.747 50 0 JJAARO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035566 523980513 /nfs/dbraw/zinc/98/05/13/523980513.db2.gz HQPCQTWVEPBZJS-DEOSSOPVSA-N 1 0 450.627 4.732 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4cn(C)c5ccccc45)CC3)C2=O)cc1 ZINC000014745348 524019268 /nfs/dbraw/zinc/01/92/68/524019268.db2.gz MFSTWMJQYBYDCP-UHFFFAOYSA-N 1 0 488.632 4.642 50 0 JJAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc1OC ZINC000014886691 524025639 /nfs/dbraw/zinc/02/56/39/524025639.db2.gz OLQRBYSUFSETIV-DEOSSOPVSA-N 1 0 462.634 4.934 50 0 JJAARO C[C@@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116013 524186774 /nfs/dbraw/zinc/18/67/74/524186774.db2.gz CVQGQQLASCLXMQ-OAQYLSRUSA-N 1 0 488.632 4.585 50 0 JJAARO Cc1cc(C)c(C[NH+]2CCC([C@@]3(Cc4ccccc4)NC(=O)N(Cc4cccnc4)C3=O)CC2)cc1C ZINC000014983050 524259892 /nfs/dbraw/zinc/25/98/92/524259892.db2.gz LCJDSLCKRUCDBL-WJOKGBTCSA-N 1 0 496.655 4.952 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810710 524276705 /nfs/dbraw/zinc/27/67/05/524276705.db2.gz YCYPRRLTJWAMAW-DVHCVUMVSA-N 1 0 468.642 4.551 50 0 JJAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)c2-n1cccc1 ZINC000020465950 524349678 /nfs/dbraw/zinc/34/96/78/524349678.db2.gz KELXPYIWSMMWQT-UHFFFAOYSA-N 1 0 479.694 4.774 50 0 JJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757249 524387900 /nfs/dbraw/zinc/38/79/00/524387900.db2.gz WCXSSQGAMKXNHN-VPUSJEBWSA-N 1 0 481.612 4.701 50 0 JJAARO Cc1cccc(C[NH+]2CCC(c3nnc(SCc4ccc(F)cc4)n3C[C@H]3CCCO3)CC2)n1 ZINC000012456553 524388815 /nfs/dbraw/zinc/38/88/15/524388815.db2.gz RVGQDKYSWDTFFA-XMMPIXPASA-N 1 0 481.641 4.972 50 0 JJAARO Cc1ccc(C[N@@H+]2CCc3nc(SCC(=O)Nc4ccc(C)c(Cl)c4)[nH]c(=O)c3C2)cc1 ZINC000020467779 524475773 /nfs/dbraw/zinc/47/57/73/524475773.db2.gz JKJHKDBTQIGWGA-UHFFFAOYSA-N 1 0 469.010 4.742 50 0 JJAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912740 524504921 /nfs/dbraw/zinc/50/49/21/524504921.db2.gz ONTFBFTZAVEEOI-UHFFFAOYSA-N 1 0 478.662 4.988 50 0 JJAARO Cc1ccc(CNC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129367 524513160 /nfs/dbraw/zinc/51/31/60/524513160.db2.gz CXNNPPUDQDRJIT-UHFFFAOYSA-N 1 0 457.578 4.548 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301982 524694430 /nfs/dbraw/zinc/69/44/30/524694430.db2.gz QKRGENKECUPXEP-QHCPKHFHSA-N 1 0 467.610 4.978 50 0 JJAARO C[C@@H]1CCc2c(sc3nc(C[N@H+](C[C@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000036161361 524726008 /nfs/dbraw/zinc/72/60/08/524726008.db2.gz XMOWRIKPWSDFRI-KNQAVFIVSA-N 1 0 495.689 4.822 50 0 JJAARO COc1ccccc1[C@@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000014986413 524760845 /nfs/dbraw/zinc/76/08/45/524760845.db2.gz ZEKPZIAILKQIHH-MHZLTWQESA-N 1 0 455.558 4.629 50 0 JJAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036306506 524784852 /nfs/dbraw/zinc/78/48/52/524784852.db2.gz XWOOFBOABZCMQQ-AHWVRZQESA-N 1 0 493.648 4.955 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCC2)C1 ZINC000021863313 525208702 /nfs/dbraw/zinc/20/87/02/525208702.db2.gz MISIYDDAZMPYOZ-QLVXXPONSA-N 1 0 494.680 4.780 50 0 JJAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2cccs2)C1 ZINC000021860036 525210589 /nfs/dbraw/zinc/21/05/89/525210589.db2.gz VFOOVPBBHGNPRT-UMQWNRPGSA-N 1 0 492.689 4.602 50 0 JJAARO COc1ccc2cc(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C3CC3)c(N(C)Cc3csc(C)n3)nc2c1 ZINC000012510320 525622837 /nfs/dbraw/zinc/62/28/37/525622837.db2.gz ZMSTXPPQHVXLST-RUZDIDTESA-N 1 0 493.677 4.620 50 0 JJAARO COc1cccc(-c2csc3[nH]c(C[N@H+](C[C@@H](O)COC(C)(C)C)C4CCCCC4)nc(=O)c23)c1 ZINC000036206379 525717565 /nfs/dbraw/zinc/71/75/65/525717565.db2.gz URMUKZBIMVZATM-HXUWFJFHSA-N 1 0 499.677 4.971 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000014997071 525748110 /nfs/dbraw/zinc/74/81/10/525748110.db2.gz DZNXLOKLUALMKE-DEOSSOPVSA-N 1 0 480.634 4.632 50 0 JJAARO C[C@@]1(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012281013 525826373 /nfs/dbraw/zinc/82/63/73/525826373.db2.gz HMLQRJOYGWIKIG-QHCPKHFHSA-N 1 0 463.475 4.567 50 0 JJAARO Cc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CN(CC[NH+](C)C)C(=O)CC(C)C)cc1C ZINC000036049462 525904717 /nfs/dbraw/zinc/90/47/17/525904717.db2.gz TWYRFBDTHIEDGF-UHFFFAOYSA-N 1 0 475.637 4.531 50 0 JJAARO Cc1ccc(-n2cc(C[NH2+]CCc3nc(-c4cccnc4)no3)c(-c3cccc(C)c3)n2)cc1 ZINC000014953957 525907552 /nfs/dbraw/zinc/90/75/52/525907552.db2.gz LXACQPOLWWPRBY-UHFFFAOYSA-N 1 0 450.546 4.933 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N(C)C3CC[NH+](C)CC3)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000012329670 525965394 /nfs/dbraw/zinc/96/53/94/525965394.db2.gz LNPIETHNJJRHCO-UHFFFAOYSA-N 1 0 490.608 4.672 50 0 JJAARO Cc1cc(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CC[N@H+](Cc5ccccc5)C4)c3C3CC3)n2)c(C)s1 ZINC000012245875 526043437 /nfs/dbraw/zinc/04/34/37/526043437.db2.gz FJEJSMDICHPGQX-JOCHJYFZSA-N 1 0 498.656 4.889 50 0 JJAARO Cc1cc(=O)c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000014994379 526128180 /nfs/dbraw/zinc/12/81/80/526128180.db2.gz LSNPKBWELAYNGL-UUOWRZLLSA-N 1 0 479.671 4.669 50 0 JJAARO Cc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C2CC[NH+](Cc3ccc(C)s3)CC2)n(C)n1 ZINC000014989283 526225504 /nfs/dbraw/zinc/22/55/04/526225504.db2.gz FCSLSDRIFSUCFB-DEOSSOPVSA-N 1 0 450.652 4.694 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115985 526249329 /nfs/dbraw/zinc/24/93/29/526249329.db2.gz UFUFTQYDBKMXNG-NRFANRHFSA-N 1 0 488.632 4.728 50 0 JJAARO O=C(NCCCc1ccccc1)[C@@H]1CC12CC[NH+](Cc1cccn1-c1ccc(Cl)cn1)CC2 ZINC000014884794 526277520 /nfs/dbraw/zinc/27/75/20/526277520.db2.gz CEODQHMJRXCGCA-DEOSSOPVSA-N 1 0 463.025 4.877 50 0 JJAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4cccnc4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000012247127 526344938 /nfs/dbraw/zinc/34/49/38/526344938.db2.gz IIEODVKUYIYMSS-HSZRJFAPSA-N 1 0 467.614 4.663 50 0 JJAARO O=C(CCC(=O)N1Cc2cccn2-c2ccccc21)NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000021663674 526384045 /nfs/dbraw/zinc/38/40/45/526384045.db2.gz QFHUKFWBJZULLO-UHFFFAOYSA-N 1 0 491.035 4.786 50 0 JJAARO c1ccc(-c2nc3nc(-c4ccccc4)nc(N4CC[NH+](CCc5ccccn5)CC4)c3o2)cc1 ZINC000035681711 526456382 /nfs/dbraw/zinc/45/63/82/526456382.db2.gz OQBDJSKFOBEHMD-UHFFFAOYSA-N 1 0 462.557 4.712 50 0 JJAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000014882468 526587596 /nfs/dbraw/zinc/58/75/96/526587596.db2.gz VMEJGNGJYWFJFP-AREMUKBSSA-N 1 0 459.565 4.831 50 0 JJAARO O=C(CCc1nc2ccccc2s1)NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014981433 526655468 /nfs/dbraw/zinc/65/54/68/526655468.db2.gz CVGQSUHWESBASQ-XMMPIXPASA-N 1 0 457.599 4.981 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]C[C@H]3OCCc4ccccc43)CC2)cc1)N1CCc2ccccc2C1 ZINC000012456809 526697429 /nfs/dbraw/zinc/69/74/29/526697429.db2.gz WNMQDECQKCGGHI-SSEXGKCCSA-N 1 0 481.640 4.758 50 0 JJAARO Cc1nc(N2CCC[C@H]([NH2+]CCC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000014995377 526966034 /nfs/dbraw/zinc/96/60/34/526966034.db2.gz RNZNYEFCOOVGIZ-HFMPRLQTSA-N 1 0 482.694 4.673 50 0 JJAARO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000012421506 527179447 /nfs/dbraw/zinc/17/94/47/527179447.db2.gz UKJQQSCTCWJLPG-OAQYLSRUSA-N 1 0 462.981 4.659 50 0 JJAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014748766 527202563 /nfs/dbraw/zinc/20/25/63/527202563.db2.gz SVLLXOAUUFNJFW-RPWUZVMVSA-N 1 0 459.565 4.678 50 0 JJAARO O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000016475432 527411056 /nfs/dbraw/zinc/41/10/56/527411056.db2.gz LUUXMIADBJZJAV-UHFFFAOYSA-N 1 0 476.580 4.822 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000033170752 527530322 /nfs/dbraw/zinc/53/03/22/527530322.db2.gz ZRYZHEXERZWOHT-UHFFFAOYSA-N 1 0 471.605 4.654 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071555 527660549 /nfs/dbraw/zinc/66/05/49/527660549.db2.gz ANTNLJHLBVGUKP-QHCPKHFHSA-N 1 0 494.083 4.894 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035471 527662159 /nfs/dbraw/zinc/66/21/59/527662159.db2.gz IWHTYJIIJFGJCY-JOCHJYFZSA-N 1 0 469.029 4.967 50 0 JJAARO COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000002202002 554091282 /nfs/dbraw/zinc/09/12/82/554091282.db2.gz MWPDSDDFEAWXEZ-SVBPBHIXSA-N 1 0 482.540 4.825 50 0 JJAARO CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000002407304 554189502 /nfs/dbraw/zinc/18/95/02/554189502.db2.gz MFEIGIPFISABIE-MHZLTWQESA-N 1 0 498.579 4.878 50 0 JJAARO CC[NH+](CC)CCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000002410914 554192052 /nfs/dbraw/zinc/19/20/52/554192052.db2.gz ZBQUWYNBMODMFT-UHFFFAOYSA-N 1 0 468.671 4.835 50 0 JJAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(OC)c(OCC(C)C)c3)C2)cc1OC ZINC000006134872 554506781 /nfs/dbraw/zinc/50/67/81/554506781.db2.gz ITCQFZZVZPVGGY-HXUWFJFHSA-N 1 0 456.583 4.598 50 0 JJAARO Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000008400793 554576194 /nfs/dbraw/zinc/57/61/94/554576194.db2.gz DIBZKNPSQYMMGJ-FYJGNVAPSA-N 1 0 460.559 4.781 50 0 JJAARO O=C(CN(C(=O)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2[nH]ccc2c1 ZINC000008755828 554658006 /nfs/dbraw/zinc/65/80/06/554658006.db2.gz QLKZIJSOPFDDJQ-UHFFFAOYSA-N 1 0 480.612 4.842 50 0 JJAARO C[NH+]1CCN(c2ccccc2NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000008826329 554715895 /nfs/dbraw/zinc/71/58/95/554715895.db2.gz APJYDVGEVSIREL-UHFFFAOYSA-N 1 0 451.574 4.603 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1 ZINC000008913379 554805401 /nfs/dbraw/zinc/80/54/01/554805401.db2.gz HDWZTBJYHYIQEO-UHFFFAOYSA-N 1 0 491.636 4.983 50 0 JJAARO CCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008915737 554809587 /nfs/dbraw/zinc/80/95/87/554809587.db2.gz WRJYMSQBKFVYKM-QHCPKHFHSA-N 1 0 452.526 4.608 50 0 JJAARO O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000008923010 554820226 /nfs/dbraw/zinc/82/02/26/554820226.db2.gz ONOKOBYJTRGJOR-UHFFFAOYSA-N 1 0 473.602 4.913 50 0 JJAARO COc1ccc(-c2coc3cc(OCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000008991099 554852501 /nfs/dbraw/zinc/85/25/01/554852501.db2.gz STUWDZMZFDFVCE-UHFFFAOYSA-N 1 0 498.579 4.628 50 0 biogenic JJAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009019014 554866802 /nfs/dbraw/zinc/86/68/02/554866802.db2.gz MMUDOPRNXBJSAE-UHFFFAOYSA-N 1 0 451.542 4.767 50 0 JJAARO C[N@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1)Cc1ccccc1 ZINC000009115587 554902413 /nfs/dbraw/zinc/90/24/13/554902413.db2.gz QLFGIQFTGITXLP-SSEXGKCCSA-N 1 0 489.435 4.602 50 0 JJAARO CC[N@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115665 554902589 /nfs/dbraw/zinc/90/25/89/554902589.db2.gz AXZIOPLMSWBUII-WJOKGBTCSA-N 1 0 459.011 4.883 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151276 554937855 /nfs/dbraw/zinc/93/78/55/554937855.db2.gz IBKAVPDCPYYBDT-UHFFFAOYSA-N 1 0 471.630 4.598 50 0 JJAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000009211393 554981211 /nfs/dbraw/zinc/98/12/11/554981211.db2.gz VHGPUYMLMPLOLB-UHFFFAOYSA-N 1 0 459.725 4.671 50 0 JJAARO O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009251601 555025732 /nfs/dbraw/zinc/02/57/32/555025732.db2.gz ITSZXQKCIFXGLD-UHFFFAOYSA-N 1 0 485.657 4.677 50 0 JJAARO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000009251623 555026025 /nfs/dbraw/zinc/02/60/25/555026025.db2.gz JPWVURLIZVDFMV-UHFFFAOYSA-N 1 0 474.008 4.845 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)CC1 ZINC000009265280 555041110 /nfs/dbraw/zinc/04/11/10/555041110.db2.gz ZWVTXAZTNOUIJK-UHFFFAOYSA-N 1 0 469.607 4.710 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1 ZINC000009265368 555041358 /nfs/dbraw/zinc/04/13/58/555041358.db2.gz HPEIVDYTMZQHPB-UHFFFAOYSA-N 1 0 499.558 4.926 50 0 JJAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)COc4ccc(Cl)cc4Cl)cc3s2)CC1 ZINC000009316270 555091351 /nfs/dbraw/zinc/09/13/51/555091351.db2.gz AFFSVHACWWHFRP-UHFFFAOYSA-N 1 0 466.390 4.729 50 0 JJAARO CC(C)[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000009358269 555122482 /nfs/dbraw/zinc/12/24/82/555122482.db2.gz BTUAWDPXPNUBQU-HXUWFJFHSA-N 1 0 484.394 4.922 50 0 JJAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5c(c4)OCCO5)=NN23)cc1 ZINC000009359480 555123125 /nfs/dbraw/zinc/12/31/25/555123125.db2.gz JOUIYVNIHLAGFW-VWLOTQADSA-N 1 0 467.569 4.994 50 0 JJAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009377056 555138304 /nfs/dbraw/zinc/13/83/04/555138304.db2.gz PNEAYPFFWBGROO-SBUREZEXSA-N 1 0 476.042 4.583 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000009433062 555202837 /nfs/dbraw/zinc/20/28/37/555202837.db2.gz URZNCFYXTKCGKL-ZEQRLZLVSA-N 1 0 455.668 4.923 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433450 555203654 /nfs/dbraw/zinc/20/36/54/555203654.db2.gz CLQXFPIAKJYUDT-DNQXCXABSA-N 1 0 453.652 4.820 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433684 555204086 /nfs/dbraw/zinc/20/40/86/555204086.db2.gz HDBWJRWHMUNQDF-UKDVSSAZSA-N 1 0 465.663 4.962 50 0 JJAARO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C(F)(F)F)cc4)CC3)cc2)n1 ZINC000009451074 555223478 /nfs/dbraw/zinc/22/34/78/555223478.db2.gz HVOLPCPVFVFQEJ-UHFFFAOYSA-N 1 0 456.512 4.856 50 0 JJAARO COc1ccc([C@@H](CNC(=O)CCc2c(C)nn(-c3ccccc3)c2C)[NH+]2CCCCC2)cc1 ZINC000009494172 555277925 /nfs/dbraw/zinc/27/79/25/555277925.db2.gz DQRALUNAPFTACT-HHHXNRCGSA-N 1 0 460.622 4.774 50 0 JJAARO CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC[NH+](C)C)n2C2CCCCCC2)c1 ZINC000009514643 555305448 /nfs/dbraw/zinc/30/54/48/555305448.db2.gz VFLHFUQPNUZPRN-UHFFFAOYSA-N 1 0 479.716 4.525 50 0 JJAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009515117 555306198 /nfs/dbraw/zinc/30/61/98/555306198.db2.gz NHYBCEPMYJONRA-HXUWFJFHSA-N 1 0 457.574 4.587 50 0 JJAARO CCc1nc2ccc(C(=O)NCCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)cc2nc1CC ZINC000009529800 555324182 /nfs/dbraw/zinc/32/41/82/555324182.db2.gz XDEIRNSEHQIISC-UHFFFAOYSA-N 1 0 480.056 4.659 50 0 JJAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)c3ccccc3n2)cc1OC ZINC000013140288 555337151 /nfs/dbraw/zinc/33/71/51/555337151.db2.gz GDPMPIOBOVLEFC-RUZDIDTESA-N 1 0 455.558 4.952 50 0 JJAARO O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCCC[NH+]1CCCCCC1 ZINC000009642864 555355890 /nfs/dbraw/zinc/35/58/90/555355890.db2.gz JHQHJCYEZXRYEW-UHFFFAOYSA-N 1 0 462.638 4.986 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009671560 555391512 /nfs/dbraw/zinc/39/15/12/555391512.db2.gz JFQMCWBZNSLXBW-JOCHJYFZSA-N 1 0 452.558 4.552 50 0 JJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1 ZINC000009678189 555402429 /nfs/dbraw/zinc/40/24/29/555402429.db2.gz UANOLXJXOSHLME-UHFFFAOYSA-N 1 0 461.518 4.741 50 0 JJAARO CCCC[N@H+](CC)CCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000013497074 555412551 /nfs/dbraw/zinc/41/25/51/555412551.db2.gz IWTJJTJNJCWHLK-UHFFFAOYSA-N 1 0 471.646 4.828 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4cc(-c5ccccc5)nn4c3C)cc2)CC1 ZINC000009609275 555437757 /nfs/dbraw/zinc/43/77/57/555437757.db2.gz JJYNDVLAQACPSZ-UHFFFAOYSA-N 1 0 482.632 4.726 50 0 JJAARO CC(C)(C[NH2+]C1CCN(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CC1)N1CCOCC1 ZINC000019835705 555506656 /nfs/dbraw/zinc/50/66/56/555506656.db2.gz RNFGNMIQUYUOMT-UHFFFAOYSA-N 1 0 492.708 4.707 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000019838054 555507674 /nfs/dbraw/zinc/50/76/74/555507674.db2.gz WJCGFSDGOHFXAT-MRXNPFEDSA-N 1 0 488.510 4.706 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C(C)C)[NH2+][C@]12C(=O)Nc1c2cc(Cl)cc1C ZINC000013592244 555526809 /nfs/dbraw/zinc/52/68/09/555526809.db2.gz YXZMUGNXGDBNLM-QZMQVMSPSA-N 1 0 462.377 4.731 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CCSC)[NH2+][C@]12C(=O)Nc1c2cc(Cl)cc1C ZINC000013592246 555527273 /nfs/dbraw/zinc/52/72/73/555527273.db2.gz OGZQDLQPQKIAHD-JCEJCQQGSA-N 1 0 494.444 4.828 50 0 JJAARO Cc1cccc(N2CC[NH+](CCNc3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)c1C ZINC000009831071 555532491 /nfs/dbraw/zinc/53/24/91/555532491.db2.gz XGCAXAAKKHWBJS-UHFFFAOYSA-N 1 0 477.616 4.795 50 0 JJAARO C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cc1)c1ccccc1O2 ZINC000009835738 555540773 /nfs/dbraw/zinc/54/07/73/555540773.db2.gz SUXKRVWJWYSPMA-UFHPHHKVSA-N 1 0 474.605 4.547 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1 ZINC000013629960 555541144 /nfs/dbraw/zinc/54/11/44/555541144.db2.gz FQTZYOKHLJMFOB-LJQANCHMSA-N 1 0 462.521 4.797 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000009836170 555541485 /nfs/dbraw/zinc/54/14/85/555541485.db2.gz JAPLKVOECNCFET-VOIUYBSRSA-N 1 0 491.419 4.571 50 0 JJAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)N(C)C1CC[NH+](C)CC1)occ3-c1ccc(F)cc1 ZINC000013630095 555541612 /nfs/dbraw/zinc/54/16/12/555541612.db2.gz CXRYDEHZKIJHRD-UHFFFAOYSA-N 1 0 462.521 4.749 50 0 JJAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000010068702 555614384 /nfs/dbraw/zinc/61/43/84/555614384.db2.gz IYUGDCFZDSSMLA-UHFFFAOYSA-N 1 0 484.441 4.736 50 0 JJAARO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCc2ccccc2C[NH+](C)C)cc1OC ZINC000010086137 555617111 /nfs/dbraw/zinc/61/71/11/555617111.db2.gz OQHLCHOXHHAAJC-UHFFFAOYSA-N 1 0 470.573 4.548 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@@H]34)CC2)c1 ZINC000020105042 555638023 /nfs/dbraw/zinc/63/80/23/555638023.db2.gz RJWWKNZVXLXJPL-KYJUHHDHSA-N 1 0 493.651 4.860 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3c4ccccc4C(=O)N4CCc5ccccc5[C@H]34)CC2)c1 ZINC000020105040 555638050 /nfs/dbraw/zinc/63/80/50/555638050.db2.gz RJWWKNZVXLXJPL-LOYHVIPDSA-N 1 0 493.651 4.860 50 0 JJAARO C[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000020107701 555641870 /nfs/dbraw/zinc/64/18/70/555641870.db2.gz YLXCJNUZJGTIDE-UHFFFAOYSA-N 1 0 464.635 4.908 50 0 JJAARO CC[NH+]1CCN(CCCN(Cc2cccs2)C(=S)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000020107893 555642133 /nfs/dbraw/zinc/64/21/33/555642133.db2.gz SBCHZGSEWZBTSD-UHFFFAOYSA-N 1 0 481.131 4.945 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116159 555653654 /nfs/dbraw/zinc/65/36/54/555653654.db2.gz QWAOVVDXYJPXGJ-RSHLGWRZSA-N 1 0 465.682 4.509 50 0 JJAARO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000010314029 555679125 /nfs/dbraw/zinc/67/91/25/555679125.db2.gz GXABGSXAVDHZSR-UHFFFAOYSA-N 1 0 462.363 4.942 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000014079266 555681070 /nfs/dbraw/zinc/68/10/70/555681070.db2.gz QWEKDOQGZOYXAY-MHZLTWQESA-N 1 0 481.600 4.900 50 0 JJAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181486 555688685 /nfs/dbraw/zinc/68/86/85/555688685.db2.gz XIRSKRZCXYRXRR-RCCKNPSSSA-N 1 0 477.552 4.643 50 0 JJAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[N@H+](C)Cc3ccccc3)C2=O)cc1 ZINC000020181659 555689159 /nfs/dbraw/zinc/68/91/59/555689159.db2.gz BDRXSWSMMUCEQE-ZXVVBBHZSA-N 1 0 485.653 4.977 50 0 JJAARO Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCCC[N@@H+]3CCc4ccccc4C3)cc12 ZINC000020183153 555689950 /nfs/dbraw/zinc/68/99/50/555689950.db2.gz HQVCAJLJXVFYHX-UHFFFAOYSA-N 1 0 459.663 4.878 50 0 JJAARO COc1ccc([C@@H](C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116563 555692209 /nfs/dbraw/zinc/69/22/09/555692209.db2.gz ZXNLYNQKRJINMN-HTAPYJJXSA-N 1 0 457.530 4.654 50 0 JJAARO COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1OC ZINC000014186150 555727235 /nfs/dbraw/zinc/72/72/35/555727235.db2.gz RREOJMQSTUSCGT-HSZRJFAPSA-N 1 0 486.572 4.716 50 0 JJAARO COc1ccc2oc(=O)cc(C[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020353101 555780919 /nfs/dbraw/zinc/78/09/19/555780919.db2.gz OSYOKHZPXRLCBM-UHFFFAOYSA-N 1 0 455.554 4.950 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)[NH+]2CCCC2)c1 ZINC000011563440 555787542 /nfs/dbraw/zinc/78/75/42/555787542.db2.gz FLXVHRWLGDYPCH-RUZDIDTESA-N 1 0 468.557 4.979 50 0 JJAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cnc(N(C)C)s4)C3)cc2)c1 ZINC000011662042 555794574 /nfs/dbraw/zinc/79/45/74/555794574.db2.gz UREGFVWYXNOKMA-FQEVSTJZSA-N 1 0 450.608 4.735 50 0 JJAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cnc(N(C)C)s4)C3)cc2)c1 ZINC000011662043 555794737 /nfs/dbraw/zinc/79/47/37/555794737.db2.gz UREGFVWYXNOKMA-HXUWFJFHSA-N 1 0 450.608 4.735 50 0 JJAARO CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000011782799 555813673 /nfs/dbraw/zinc/81/36/73/555813673.db2.gz NPCRAUCPGIIMJT-FTJBHMTQSA-N 1 0 482.596 4.989 50 0 JJAARO COc1ccc(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c2ccccc12 ZINC000011784948 555816911 /nfs/dbraw/zinc/81/69/11/555816911.db2.gz NHFZSCFXMPQIPJ-CYFREDJKSA-N 1 0 474.630 4.985 50 0 JJAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCc1nc2ccccc2[nH]1 ZINC000011785092 555816915 /nfs/dbraw/zinc/81/69/15/555816915.db2.gz FMABULRZJPERLR-UHFFFAOYSA-N 1 0 471.586 4.596 50 0 JJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+]([C@@H]2CCc4ccccc4C2)CC3)cc1 ZINC000014532356 555819853 /nfs/dbraw/zinc/81/98/53/555819853.db2.gz JNSGOHRIFGVEMG-AREMUKBSSA-N 1 0 489.660 4.550 50 0 JJAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](CCCc3ccccc3)CC2)N1Cc1ccccc1 ZINC000014532368 555820271 /nfs/dbraw/zinc/82/02/71/555820271.db2.gz NTOMWOFRPZYIDY-UHFFFAOYSA-N 1 0 496.655 4.946 50 0 JJAARO Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011786610 555820309 /nfs/dbraw/zinc/82/03/09/555820309.db2.gz PWLIWYBIUAJLRL-HSZRJFAPSA-N 1 0 494.643 4.904 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)cc1 ZINC000014533028 555821013 /nfs/dbraw/zinc/82/10/13/555821013.db2.gz JCPSAEARLKNYSH-UHFFFAOYSA-N 1 0 498.627 4.522 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@@H](C)CC(F)(F)F)CC2 ZINC000014538889 555828663 /nfs/dbraw/zinc/82/86/63/555828663.db2.gz RZMTYEKURFBUQW-IBGZPJMESA-N 1 0 491.554 4.816 50 0 JJAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(SC)cc2)CC1)c1ccccc1 ZINC000011816558 555831114 /nfs/dbraw/zinc/83/11/14/555831114.db2.gz GGPWCWLEDYCUKU-XMMPIXPASA-N 1 0 450.608 4.768 50 0 JJAARO CN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014541030 555831523 /nfs/dbraw/zinc/83/15/23/555831523.db2.gz QCQLJDJIDIHHCP-UHFFFAOYSA-N 1 0 493.007 4.856 50 0 JJAARO COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CC[NH+](CCCc3ccccc3)CC2)[C@H]1O ZINC000011841087 555833820 /nfs/dbraw/zinc/83/38/20/555833820.db2.gz JSSKWBUDIXXOQV-IZLXSDGUSA-N 1 0 470.613 4.507 50 0 JJAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c12 ZINC000020579137 555834008 /nfs/dbraw/zinc/83/40/08/555834008.db2.gz IJXLXWAQNVXAFU-KRWDZBQOSA-N 1 0 454.018 4.993 50 0 JJAARO CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(Cl)cc2)CC1 ZINC000020597583 555839274 /nfs/dbraw/zinc/83/92/74/555839274.db2.gz QJJYESUNFMQQHR-UHFFFAOYSA-N 1 0 467.057 4.717 50 0 JJAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cn1 ZINC000015000592 555845354 /nfs/dbraw/zinc/84/53/54/555845354.db2.gz JREHEUIYLUCZQT-VXKWHMMOSA-N 1 0 479.650 4.630 50 0 JJAARO O=C([C@H]1CC12CC[NH+](Cc1cccc3ccccc31)CC2)N1CCN(Cc2ccccc2)CC1 ZINC000011869281 555845701 /nfs/dbraw/zinc/84/57/01/555845701.db2.gz FKAZEAYJCVQSSP-MUUNZHRXSA-N 1 0 453.630 4.786 50 0 JJAARO Cc1csc(C[N@@H+](C)[C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)n1 ZINC000015000998 555845864 /nfs/dbraw/zinc/84/58/64/555845864.db2.gz GHJPJWRZVONYTF-SFHVURJKSA-N 1 0 468.623 4.594 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CC[N@@H+]1CCCC[C@H]1C)C3=O ZINC000020903221 555848781 /nfs/dbraw/zinc/84/87/81/555848781.db2.gz DFZWUBQPEXQPLL-ONOMSOESSA-N 1 0 494.680 4.578 50 0 JJAARO Cc1ccc([C@H](C)CC[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000015006640 555851207 /nfs/dbraw/zinc/85/12/07/555851207.db2.gz FCKUEOGLBRZELJ-RLWLMLJZSA-N 1 0 462.638 4.911 50 0 JJAARO CCC[C@]1(C2CC[NH+](C[C@H](C)CCC=C(C)C)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000011913201 555862686 /nfs/dbraw/zinc/86/26/86/555862686.db2.gz OSSHIFXNQLXSIX-AJTFRIOCSA-N 1 0 454.659 4.809 50 0 JJAARO CCC[C@]1(C2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000011913199 555862740 /nfs/dbraw/zinc/86/27/40/555862740.db2.gz OSSHIFXNQLXSIX-WXVAWEFUSA-N 1 0 454.659 4.809 50 0 JJAARO O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022039057 555865519 /nfs/dbraw/zinc/86/55/19/555865519.db2.gz DIFYWVGMEXSQHY-LMSSTIIKSA-N 1 0 456.630 4.849 50 0 JJAARO O=S(=O)(c1cccc(Cl)c1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000011963832 555870551 /nfs/dbraw/zinc/87/05/51/555870551.db2.gz VCSCZIINDUPZEC-XMMPIXPASA-N 1 0 493.069 4.575 50 0 JJAARO O=S(=O)(c1cccc(Cl)c1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000011963829 555870671 /nfs/dbraw/zinc/87/06/71/555870671.db2.gz VCSCZIINDUPZEC-DEOSSOPVSA-N 1 0 493.069 4.575 50 0 JJAARO O=C(N[C@@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000011983021 555877286 /nfs/dbraw/zinc/87/72/86/555877286.db2.gz SYROCASWWADRBJ-HHHXNRCGSA-N 1 0 455.602 4.637 50 0 JJAARO O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc4[nH]ccc4c2)CCO3)C1 ZINC000012078429 555902488 /nfs/dbraw/zinc/90/24/88/555902488.db2.gz KSWQTPZSJONFPM-VWLOTQADSA-N 1 0 494.595 4.693 50 0 JJAARO COC(=O)c1ccc(CN2CC[C@H]([N@H+](C)CCC34CC5CC(CC(C5)C3)C4)CCC2=O)cc1 ZINC000012128043 555910725 /nfs/dbraw/zinc/91/07/25/555910725.db2.gz SFWRUYICLLASCP-NYKZCTJWSA-N 1 0 452.639 4.893 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C1CC1 ZINC000012132917 555912383 /nfs/dbraw/zinc/91/23/83/555912383.db2.gz IQTLCGPRCPCRSY-UHFFFAOYSA-N 1 0 496.590 4.740 50 0 JJAARO CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4F)CC3)ccc2o1 ZINC000012152611 555926603 /nfs/dbraw/zinc/92/66/03/555926603.db2.gz AGQDTQDZWMSCEQ-UHFFFAOYSA-N 1 0 487.575 4.765 50 0 JJAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](Cc1c(C)nn(C(C)C)c1C)CC2 ZINC000012183818 555936061 /nfs/dbraw/zinc/93/60/61/555936061.db2.gz CQTYAUSVVRRYIN-FTJBHMTQSA-N 1 0 452.643 4.601 50 0 JJAARO COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)c3ccc(-c4ccco4)cc3)C2)cc1 ZINC000012190425 555937501 /nfs/dbraw/zinc/93/75/01/555937501.db2.gz ZEWDRQRZTJNTMT-RPBOFIJWSA-N 1 0 458.558 4.860 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678245 555943378 /nfs/dbraw/zinc/94/33/78/555943378.db2.gz HRLNHXHATPZECN-MUUNZHRXSA-N 1 0 482.669 4.924 50 0 JJAARO O=C(CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000015680107 555947090 /nfs/dbraw/zinc/94/70/90/555947090.db2.gz PHQYNVBAXKDPPH-UHFFFAOYSA-N 1 0 483.012 4.745 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(F)c1 ZINC000022756081 555954404 /nfs/dbraw/zinc/95/44/04/555954404.db2.gz BOXFQUZAJTZFPR-LJQANCHMSA-N 1 0 472.914 4.528 50 0 JJAARO Cc1ccc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000015721590 555955841 /nfs/dbraw/zinc/95/58/41/555955841.db2.gz PPTFXCHMPFBNRH-NDEPHWFRSA-N 1 0 467.613 4.863 50 0 JJAARO O=C(Nc1ccc(Br)cc1F)c1cnn(-c2cccc(F)c2)c1C1CC[NH2+]CC1 ZINC000015726974 555966294 /nfs/dbraw/zinc/96/62/94/555966294.db2.gz NOILUHUEBWRHMV-UHFFFAOYSA-N 1 0 461.310 4.632 50 0 JJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)C1 ZINC000015732341 555976665 /nfs/dbraw/zinc/97/66/65/555976665.db2.gz MIIUCLIZZUYABV-OAQYLSRUSA-N 1 0 492.689 4.782 50 0 JJAARO O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022936073 555988780 /nfs/dbraw/zinc/98/87/80/555988780.db2.gz USZMJNUCTVKNJX-SYAXVNJYSA-N 1 0 460.662 4.712 50 0 JJAARO COc1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000022937862 555991002 /nfs/dbraw/zinc/99/10/02/555991002.db2.gz YGHZZGRVYCKYRZ-UHFFFAOYSA-N 1 0 467.617 4.925 50 0 JJAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cc3cc4cc(C)ccc4nc3s2)CC1 ZINC000015784579 556003448 /nfs/dbraw/zinc/00/34/48/556003448.db2.gz BPCXBDSTASMUNS-UHFFFAOYSA-N 1 0 474.630 4.709 50 0 JJAARO Cc1ccc2nc3sc(C(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)cc3cc2c1 ZINC000015784577 556003478 /nfs/dbraw/zinc/00/34/78/556003478.db2.gz CAZLGSSILVTPGK-UHFFFAOYSA-N 1 0 450.652 4.828 50 0 JJAARO Cc1csc(C[N@@H+](C)[C@H]2CCc3c(sc4ncn(Cc5cccc(Cl)c5)c(=O)c34)C2)n1 ZINC000023130117 556019223 /nfs/dbraw/zinc/01/92/23/556019223.db2.gz SMBSWNNOSAUBRY-KRWDZBQOSA-N 1 0 471.051 4.914 50 0 JJAARO CC(C)[N@H+](C[C@@H](O)COCc1ccccc1Cl)C[C@@H](O)COc1cccc2ccccc21 ZINC000012550212 556030928 /nfs/dbraw/zinc/03/09/28/556030928.db2.gz DQYQYRAEMPPNHJ-DHIUTWEWSA-N 1 0 457.998 4.521 50 0 JJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000015859973 556031767 /nfs/dbraw/zinc/03/17/67/556031767.db2.gz GPCCVPBSPCAOEI-IBGZPJMESA-N 1 0 453.564 4.521 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)[NH+]2CCCC2)c1 ZINC000023235361 556032917 /nfs/dbraw/zinc/03/29/17/556032917.db2.gz VDIGVRLKAUMUKZ-MHZLTWQESA-N 1 0 452.558 4.872 50 0 JJAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023333129 556043390 /nfs/dbraw/zinc/04/33/90/556043390.db2.gz ZDLUJJMVZWHAIW-DEOSSOPVSA-N 1 0 457.622 4.948 50 0 JJAARO O=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015869413 556048779 /nfs/dbraw/zinc/04/87/79/556048779.db2.gz AIVAEMNVMSDLAZ-UHFFFAOYSA-N 1 0 483.660 4.652 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccc(OCc3c(C)noc3C)cc2)[NH+]2CCCCC2)cc1 ZINC000012569670 556072902 /nfs/dbraw/zinc/07/29/02/556072902.db2.gz NMQDLTPGPKPQQB-AREMUKBSSA-N 1 0 463.578 4.836 50 0 JJAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccccn4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000012571327 556073568 /nfs/dbraw/zinc/07/35/68/556073568.db2.gz YNYXXAUVHIYVLU-QHCPKHFHSA-N 1 0 467.614 4.663 50 0 JJAARO CC(C)[NH2+]CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000015946931 556084312 /nfs/dbraw/zinc/08/43/12/556084312.db2.gz HLQGMACJLJGZGS-UHFFFAOYSA-N 1 0 450.402 4.578 50 0 JJAARO CCC[NH2+]CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000015946929 556084338 /nfs/dbraw/zinc/08/43/38/556084338.db2.gz BTJXVTJTQCVOLO-UHFFFAOYSA-N 1 0 450.402 4.580 50 0 JJAARO CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C[N@H+](C(C)C)C1CC1 ZINC000024754627 556149980 /nfs/dbraw/zinc/14/99/80/556149980.db2.gz OBPPQCXQAJJVRD-UHFFFAOYSA-N 1 0 471.623 4.914 50 0 JJAARO CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000024923829 556163466 /nfs/dbraw/zinc/16/34/66/556163466.db2.gz QEOZODXRZRHLRS-VWLOTQADSA-N 1 0 493.007 4.778 50 0 JJAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000024968230 556165703 /nfs/dbraw/zinc/16/57/03/556165703.db2.gz RQAHLAKBYNTIJL-XMMPIXPASA-N 1 0 484.021 4.708 50 0 JJAARO C[N@H+](CCCNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)Cc1ccccc1 ZINC000025045220 556173581 /nfs/dbraw/zinc/17/35/81/556173581.db2.gz YPKAAOQEFTYOGZ-UHFFFAOYSA-N 1 0 471.630 4.665 50 0 JJAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)c1 ZINC000013005150 556197234 /nfs/dbraw/zinc/19/72/34/556197234.db2.gz JTWLWBUFPTVILN-MHZLTWQESA-N 1 0 484.600 4.648 50 0 JJAARO COCCn1c(C)cc(O)c([C@H](c2ccccc2OC)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993439 556197659 /nfs/dbraw/zinc/19/76/59/556197659.db2.gz AAMROIYUGUZSDB-NDEPHWFRSA-N 1 0 476.617 4.561 50 0 JJAARO O=C(CSc1ncnc2scc(-c3ccccc3)c21)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000013010679 556202965 /nfs/dbraw/zinc/20/29/65/556202965.db2.gz IJRULZYFSHLOTI-HXUWFJFHSA-N 1 0 460.628 4.841 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c2cccs2)CC1 ZINC000017126454 556220973 /nfs/dbraw/zinc/22/09/73/556220973.db2.gz WZTBXPAXIIQZNJ-QFIPXVFZSA-N 1 0 454.640 4.581 50 0 JJAARO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013040194 556242677 /nfs/dbraw/zinc/24/26/77/556242677.db2.gz HNKBODPIFBKZAM-GOSISDBHSA-N 1 0 464.031 4.502 50 0 JJAARO CCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000026121754 556249450 /nfs/dbraw/zinc/24/94/50/556249450.db2.gz KMEFIVOURRVWNP-UHFFFAOYSA-N 1 0 466.582 4.566 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)[NH+](C)C)cc1OC ZINC000013101478 556301752 /nfs/dbraw/zinc/30/17/52/556301752.db2.gz UTLSZGBUVQXUDQ-RUZDIDTESA-N 1 0 484.600 4.898 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)[NH+]2CCCCC2)cc1 ZINC000027669155 556303984 /nfs/dbraw/zinc/30/39/84/556303984.db2.gz BTZRXTASNAPVAO-FQEVSTJZSA-N 1 0 467.591 4.867 50 0 JJAARO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000027957092 556310638 /nfs/dbraw/zinc/31/06/38/556310638.db2.gz VCHLGSOSYZIQEJ-UHFFFAOYSA-N 1 0 457.574 4.957 50 0 JJAARO Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)n2)cc1C ZINC000028292760 556329240 /nfs/dbraw/zinc/32/92/40/556329240.db2.gz YMIYBIWFTWRLDF-RUZDIDTESA-N 1 0 472.633 4.714 50 0 JJAARO CCOc1cc(/C=C/C(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)ccc1OCC(C)C ZINC000013122376 556338974 /nfs/dbraw/zinc/33/89/74/556338974.db2.gz XTKCDFBHEUHUSB-MHWRWJLKSA-N 1 0 481.637 4.844 50 0 JJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000013128442 556347690 /nfs/dbraw/zinc/34/76/90/556347690.db2.gz KNLQRVUIWYWGFE-UHFFFAOYSA-N 1 0 490.486 4.606 50 0 JJAARO Cc1nc2sc3c(nc(NCC[NH+](C)C)n(-c4cccc(Cl)c4)c3=O)c2c2c1COC(C)(C)C2 ZINC000013135661 556366621 /nfs/dbraw/zinc/36/66/21/556366621.db2.gz ADXARCXDEYSJEG-UHFFFAOYSA-N 1 0 498.052 4.782 50 0 JJAARO Cn1c(-c2ccccc2)nn(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000019798413 556375910 /nfs/dbraw/zinc/37/59/10/556375910.db2.gz BBDIKPXQGHEPPK-UHFFFAOYSA-N 1 0 455.631 4.983 50 0 JJAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000032622627 556452350 /nfs/dbraw/zinc/45/23/50/556452350.db2.gz PVWNWEIONOVZSB-VWLOTQADSA-N 1 0 478.589 4.723 50 0 JJAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000032622629 556452381 /nfs/dbraw/zinc/45/23/81/556452381.db2.gz PVWNWEIONOVZSB-RUZDIDTESA-N 1 0 478.589 4.723 50 0 JJAARO Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cnn1-c1ccc(Br)cc1 ZINC000032762677 556488123 /nfs/dbraw/zinc/48/81/23/556488123.db2.gz GJTFDFGLYQTOCP-IBGZPJMESA-N 1 0 459.413 4.572 50 0 JJAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1C ZINC000032810894 556501872 /nfs/dbraw/zinc/50/18/72/556501872.db2.gz HCOYULUEMWDJMC-OAQYLSRUSA-N 1 0 458.606 4.840 50 0 JJAARO CC(=O)Nc1nc2ccc(CCC(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cc2s1 ZINC000032959375 556576024 /nfs/dbraw/zinc/57/60/24/556576024.db2.gz CPBHEPJGJCQBCC-UHFFFAOYSA-N 1 0 464.635 4.524 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000008588519 562941450 /nfs/dbraw/zinc/94/14/50/562941450.db2.gz UORYKUOLDAVAGJ-UHFFFAOYSA-N 1 0 455.002 4.714 50 0 JJAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061880686 563209679 /nfs/dbraw/zinc/20/96/79/563209679.db2.gz OPAGWTVJTNEONK-INIZCTEOSA-N 1 0 484.449 4.766 50 0 JJAARO Cc1c(-c2ccnc(N3CC[NH+](Cc4ccccc4)CC3)n2)cnc2nc(-c3ccc(Cl)cc3)nn21 ZINC000054202046 569589406 /nfs/dbraw/zinc/58/94/06/569589406.db2.gz FWGBNNPFNOTAOW-UHFFFAOYSA-N 1 0 497.006 4.532 50 0 JJAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431534 569589445 /nfs/dbraw/zinc/58/94/45/569589445.db2.gz QNYKNOXEGLLUAM-AGILITTLSA-N 1 0 492.660 4.740 50 0 JJAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000008431530 569589461 /nfs/dbraw/zinc/58/94/61/569589461.db2.gz QNYKNOXEGLLUAM-HUVFLSCGSA-N 1 0 492.660 4.740 50 0 JJAARO COc1cccc(OCC[NH+]2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)c(C)nn43)CC2)c1 ZINC000054274629 569589519 /nfs/dbraw/zinc/58/95/19/569589519.db2.gz YDDMASTVVWHTDI-UHFFFAOYSA-N 1 0 492.023 4.876 50 0 JJAARO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1-c1ccccc1 ZINC000054274589 569589607 /nfs/dbraw/zinc/58/96/07/569589607.db2.gz KRZMFTDVYJRPNA-UHFFFAOYSA-N 1 0 461.997 4.868 50 0 JJAARO COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000055327206 569591642 /nfs/dbraw/zinc/59/16/42/569591642.db2.gz BACNLVQXWPNQLT-FTJBHMTQSA-N 1 0 493.673 4.689 50 0 JJAARO CC[NH+]1CCN(c2ccc(N[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3)cc2)CC1 ZINC000008708380 569595068 /nfs/dbraw/zinc/59/50/68/569595068.db2.gz QVBGTIHEFYRXCA-HHHXNRCGSA-N 1 0 458.606 4.937 50 0 JJAARO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000057292038 569595794 /nfs/dbraw/zinc/59/57/94/569595794.db2.gz PFCKMWARMSRUOV-UHFFFAOYSA-N 1 0 488.657 4.923 50 0 JJAARO O=C(COc1ccccc1Cl)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057311684 569596331 /nfs/dbraw/zinc/59/63/31/569596331.db2.gz CRBJWUQMOCLFMN-UHFFFAOYSA-N 1 0 495.048 4.554 50 0 JJAARO CN(CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)Cc1nc2ccccc2s1 ZINC000057315390 569596941 /nfs/dbraw/zinc/59/69/41/569596941.db2.gz KMTPQPAHJOZRBV-UHFFFAOYSA-N 1 0 485.657 4.689 50 0 JJAARO COCC[NH+]1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000057315415 569596985 /nfs/dbraw/zinc/59/69/85/569596985.db2.gz NKEDDTIGMLSZTO-UHFFFAOYSA-N 1 0 475.083 4.894 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008718352 569597063 /nfs/dbraw/zinc/59/70/63/569597063.db2.gz GCDLYDGCOUUXSB-XMMPIXPASA-N 1 0 456.546 4.708 50 0 JJAARO CCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057336105 569599018 /nfs/dbraw/zinc/59/90/18/569599018.db2.gz HOAJUIHVXULGCD-UHFFFAOYSA-N 1 0 453.590 4.560 50 0 JJAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000008724021 569599566 /nfs/dbraw/zinc/59/95/66/569599566.db2.gz VHXLZYAHIQYLCX-UHFFFAOYSA-N 1 0 460.544 4.619 50 0 JJAARO O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2)N1CC[NH+](C2CCCCC2)CC1 ZINC000032983841 569607160 /nfs/dbraw/zinc/60/71/60/569607160.db2.gz HFOMZOWMWQRVPB-ULJHMMPZSA-N 1 0 465.981 4.803 50 0 JJAARO O=C(c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2)N1CC[NH+](C2CCCCC2)CC1 ZINC000032983947 569607167 /nfs/dbraw/zinc/60/71/67/569607167.db2.gz RHRURUNBKJQFIR-LFVJCYFKSA-N 1 0 465.981 4.803 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984002 569607280 /nfs/dbraw/zinc/60/72/80/569607280.db2.gz QUGCWBZFZJPLLI-HAFIMRKLSA-N 1 0 453.970 4.706 50 0 JJAARO Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000032986028 569608690 /nfs/dbraw/zinc/60/86/90/569608690.db2.gz YMWZZMWTOISYCF-UHFFFAOYSA-N 1 0 492.693 4.550 50 0 JJAARO Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c2cc1C ZINC000033006029 569614624 /nfs/dbraw/zinc/61/46/24/569614624.db2.gz OZIUJMDEJFULGH-UHFFFAOYSA-N 1 0 494.639 4.764 50 0 JJAARO Cc1cc2nc3sc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc(=O)n3c2cc1C ZINC000033009114 569615932 /nfs/dbraw/zinc/61/59/32/569615932.db2.gz UKGZQEQPSILZKV-UHFFFAOYSA-N 1 0 495.048 4.821 50 0 JJAARO CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000033037059 569621500 /nfs/dbraw/zinc/62/15/00/569621500.db2.gz PFNDPHSVRNULER-UHFFFAOYSA-N 1 0 485.632 4.897 50 0 JJAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(OC)cc4)c3NC3CCCCC3)s2)CC1 ZINC000064746080 569625250 /nfs/dbraw/zinc/62/52/50/569625250.db2.gz WWKMEPRRESBQFQ-UHFFFAOYSA-N 1 0 454.644 4.743 50 0 JJAARO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000064820248 569636224 /nfs/dbraw/zinc/63/62/24/569636224.db2.gz QPJKBJBBIJKXTG-UHFFFAOYSA-N 1 0 495.487 4.544 50 0 JJAARO COc1ccccc1CN(C(=O)c1ccc(C)cc1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034679737 569642746 /nfs/dbraw/zinc/64/27/46/569642746.db2.gz SGRRDWTYCXADIN-UHFFFAOYSA-N 1 0 499.655 4.995 50 0 JJAARO Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000034679768 569642759 /nfs/dbraw/zinc/64/27/59/569642759.db2.gz ZYDMQYSAXKWJPD-UHFFFAOYSA-N 1 0 455.602 4.597 50 0 JJAARO Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000034680026 569642914 /nfs/dbraw/zinc/64/29/14/569642914.db2.gz KSTAHOSTZFTXNJ-UHFFFAOYSA-N 1 0 473.592 4.736 50 0 JJAARO Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000034679891 569642916 /nfs/dbraw/zinc/64/29/16/569642916.db2.gz NPHXSOBGJPGARD-UHFFFAOYSA-N 1 0 455.602 4.597 50 0 JJAARO Cc1cccc(CN(C(=O)/C=C/c2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000034680122 569642994 /nfs/dbraw/zinc/64/29/94/569642994.db2.gz OQXYIXWLSWWCNT-SAPNQHFASA-N 1 0 481.640 4.996 50 0 JJAARO COc1ccc(N(C(=O)c2ccccc2OC)C2CC[NH+](Cc3ccco3)CC2)cc1OC ZINC000034682881 569644069 /nfs/dbraw/zinc/64/40/69/569644069.db2.gz HKVRJPNKOZPRJE-UHFFFAOYSA-N 1 0 450.535 4.617 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000034684711 569644952 /nfs/dbraw/zinc/64/49/52/569644952.db2.gz LQSZOEOBXCQLQT-UHFFFAOYSA-N 1 0 453.508 4.958 50 0 JJAARO O=C(c1cccc(F)c1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698333 569647620 /nfs/dbraw/zinc/64/76/20/569647620.db2.gz JYKCHTNRKOSKJQ-CUNXSJBXSA-N 1 0 479.546 4.782 50 0 JJAARO O=C(c1cccc(F)c1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034698335 569647680 /nfs/dbraw/zinc/64/76/80/569647680.db2.gz JYKCHTNRKOSKJQ-AMGIVPHBSA-N 1 0 479.546 4.782 50 0 JJAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699230 569648480 /nfs/dbraw/zinc/64/84/80/569648480.db2.gz WSLXXLUDWZREKZ-IGKIAQTJSA-N 1 0 459.634 4.934 50 0 JJAARO C[C@@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CCN1Cc1ccoc1 ZINC000034707910 569650060 /nfs/dbraw/zinc/65/00/60/569650060.db2.gz KBEAPCTWUXBWMB-OAHLLOKOSA-N 1 0 464.982 4.963 50 0 JJAARO Fc1cccc(-c2noc(-c3ccc(NCCC[NH+]4CCN(c5ccccc5)CC4)nc3)n2)c1 ZINC000065097935 569661669 /nfs/dbraw/zinc/66/16/69/569661669.db2.gz GFAVDELFLXVKKL-UHFFFAOYSA-N 1 0 458.541 4.562 50 0 JJAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)/C=C/c1ccccc1 ZINC000034814875 569662845 /nfs/dbraw/zinc/66/28/45/569662845.db2.gz SMZOFPIVPQHEDM-WUKNDPDISA-N 1 0 471.649 4.775 50 0 JJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1cccs1 ZINC000034830527 569663932 /nfs/dbraw/zinc/66/39/32/569663932.db2.gz FIZHXPKOFMSLRV-BVZFJXPGSA-N 1 0 497.661 4.659 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccccc3F)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831236 569664120 /nfs/dbraw/zinc/66/41/20/569664120.db2.gz ROFINGBFAZUNBH-UHFFFAOYSA-N 1 0 463.601 4.513 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1ccc(CC)cc1 ZINC000034831266 569664205 /nfs/dbraw/zinc/66/42/05/569664205.db2.gz KCRSKKMGJVRFMY-UHFFFAOYSA-N 1 0 477.628 4.686 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)Cc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832117 569664432 /nfs/dbraw/zinc/66/44/32/569664432.db2.gz YOZWRYCAASRXQS-UHFFFAOYSA-N 1 0 487.692 4.940 50 0 JJAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000065102578 569664459 /nfs/dbraw/zinc/66/44/59/569664459.db2.gz SPVCAVGEZXXLLM-UHFFFAOYSA-N 1 0 481.710 4.923 50 0 JJAARO COc1ccccc1-c1cc(C(=O)NCC[NH+]2CCCCC2)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000034833106 569664554 /nfs/dbraw/zinc/66/45/54/569664554.db2.gz GUFGOEUHFXLWLT-UHFFFAOYSA-N 1 0 490.007 4.941 50 0 JJAARO CCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)CC(C)C)cc1 ZINC000034834411 569664744 /nfs/dbraw/zinc/66/47/44/569664744.db2.gz HXKUDBTUUOKIJB-UHFFFAOYSA-N 1 0 473.665 4.793 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835026 569665000 /nfs/dbraw/zinc/66/50/00/569665000.db2.gz VWVQTQHXCFOICQ-QFIPXVFZSA-N 1 0 491.655 4.832 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)Nc3ccc(C)cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835846 569665095 /nfs/dbraw/zinc/66/50/95/569665095.db2.gz CYXKJZGYRNECHV-UHFFFAOYSA-N 1 0 490.627 4.967 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)CC(C)(C)C ZINC000034835504 569665144 /nfs/dbraw/zinc/66/51/44/569665144.db2.gz AAANQBUEHDJJLN-UHFFFAOYSA-N 1 0 457.638 4.637 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(OC)cc1)=N2 ZINC000035372590 569683069 /nfs/dbraw/zinc/68/30/69/569683069.db2.gz FABJNUCREDWOLN-UHFFFAOYSA-N 1 0 464.635 4.697 50 0 JJAARO Cc1cc(C)cc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Cl)cc2)c1 ZINC000035372608 569683081 /nfs/dbraw/zinc/68/30/81/569683081.db2.gz PLJWMTQBAPJQSK-UHFFFAOYSA-N 1 0 455.027 4.952 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(F)cc1)=N2 ZINC000035372809 569683241 /nfs/dbraw/zinc/68/32/41/569683241.db2.gz LJHQJAURVBKNJW-UHFFFAOYSA-N 1 0 458.990 4.864 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccccc1)=N2 ZINC000035372714 569683350 /nfs/dbraw/zinc/68/33/50/569683350.db2.gz FRYSJQYKFDMJCP-UHFFFAOYSA-N 1 0 458.990 4.864 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372937 569683414 /nfs/dbraw/zinc/68/34/14/569683414.db2.gz NLMVGUCGOCFTCW-UHFFFAOYSA-N 1 0 489.016 4.873 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(OC)c1)C(c1ccc(Cl)cc1)=N2 ZINC000035372952 569683525 /nfs/dbraw/zinc/68/35/25/569683525.db2.gz PYRNCMFVLODEEJ-UHFFFAOYSA-N 1 0 471.026 4.734 50 0 JJAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397183 569687697 /nfs/dbraw/zinc/68/76/97/569687697.db2.gz XDYIISDRULCHLB-UHFFFAOYSA-N 1 0 485.451 4.753 50 0 JJAARO CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000068711428 569691657 /nfs/dbraw/zinc/69/16/57/569691657.db2.gz SDGJBAUIGHSMRI-UHFFFAOYSA-N 1 0 496.999 4.775 50 0 in-vitro JJAARO Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000069615390 569693502 /nfs/dbraw/zinc/69/35/02/569693502.db2.gz MEJIAVHTNJGTBW-QFBILLFUSA-N 1 0 498.718 4.771 50 0 JJAARO COc1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)CC3)n2)cc1 ZINC000035447313 569696083 /nfs/dbraw/zinc/69/60/83/569696083.db2.gz JFCRXZQMXFXWSN-UHFFFAOYSA-N 1 0 475.593 4.586 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454122 569697438 /nfs/dbraw/zinc/69/74/38/569697438.db2.gz RKSQVCIWKVJJNV-QFIPXVFZSA-N 1 0 473.061 4.834 50 0 JJAARO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@@H]4C)cc3)CC2)cc1 ZINC000071793460 569698451 /nfs/dbraw/zinc/69/84/51/569698451.db2.gz QNPWPIURSIXVIU-PSWAGMNNSA-N 1 0 477.649 4.511 50 0 JJAARO O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000035528879 569699967 /nfs/dbraw/zinc/69/99/67/569699967.db2.gz ICNRLDHXDJJHBL-UHFFFAOYSA-N 1 0 469.029 4.539 50 0 JJAARO Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccc(OCCC(C)C)cc1)CC(C)(C)[NH+](C)C ZINC000072272108 569701396 /nfs/dbraw/zinc/70/13/96/569701396.db2.gz VBRFTXBUBPOBFQ-UHFFFAOYSA-N 1 0 456.675 4.763 50 0 JJAARO COc1ccc(NC(=O)[C@@H]2C[C@H](Cc3ccccc3)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035808740 569712117 /nfs/dbraw/zinc/71/21/17/569712117.db2.gz NRKJPEUBGHBDRE-FBIATWESSA-N 1 0 475.976 4.664 50 0 JJAARO CC[NH+]1CCN(c2c(C)c(C(=O)N[C@@H](C)c3ccccc3)n(Cc3ccc(F)cc3)c2C)CC1 ZINC000035835080 569713368 /nfs/dbraw/zinc/71/33/68/569713368.db2.gz VQRPFEZJBDWZMV-NRFANRHFSA-N 1 0 462.613 4.925 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCC2 ZINC000085875712 569715888 /nfs/dbraw/zinc/71/58/88/569715888.db2.gz RKHXIEMOEUVJMB-FTBPSBKWSA-N 1 0 451.655 4.576 50 0 biogenic JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871759 569718974 /nfs/dbraw/zinc/71/89/74/569718974.db2.gz MERTWDHXFPMKRY-TUDQOENJSA-N 1 0 473.592 4.575 50 0 JJAARO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@H]12 ZINC000035908108 569723799 /nfs/dbraw/zinc/72/37/99/569723799.db2.gz VSMLTCWYMIJBLE-UKILVPOCSA-N 1 0 489.582 4.610 50 0 JJAARO COc1cc(C(=O)N[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)ccc1OC1CCCC1 ZINC000095951827 569731493 /nfs/dbraw/zinc/73/14/93/569731493.db2.gz GBAHEMSNKMKAHU-JOCHJYFZSA-N 1 0 450.579 4.735 50 0 JJAARO O[C@@H](COc1ccccc1Br)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097891397 569745900 /nfs/dbraw/zinc/74/59/00/569745900.db2.gz QBJJLITVUJPNRY-HSZRJFAPSA-N 1 0 481.434 4.596 50 0 JJAARO O[C@@H](Cc1ccccc1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@@H]1CCCO1 ZINC000036312954 569760434 /nfs/dbraw/zinc/76/04/34/569760434.db2.gz NJYHDSZVSJSJAV-DQEYMECFSA-N 1 0 461.606 4.526 50 0 JJAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)CC2CC2)cc1 ZINC000036313044 569760607 /nfs/dbraw/zinc/76/06/07/569760607.db2.gz JMBHHZUIUSTAAJ-XMMPIXPASA-N 1 0 491.632 4.992 50 0 JJAARO CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2C)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037278575 569782393 /nfs/dbraw/zinc/78/23/93/569782393.db2.gz WSKUREJLUXJBEC-UHFFFAOYSA-N 1 0 476.621 4.689 50 0 JJAARO COc1cccc(C(=O)N(Cc2ccc(C)cc2)c2cccc(CC(=O)NCC[NH+]3CCCC3)c2)c1 ZINC000037280348 569782567 /nfs/dbraw/zinc/78/25/67/569782567.db2.gz IANXNRWCRNFFKX-UHFFFAOYSA-N 1 0 485.628 4.605 50 0 JJAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC[NH+]1CCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357950 569783581 /nfs/dbraw/zinc/78/35/81/569783581.db2.gz YUSGZNXZPVGRHG-UHFFFAOYSA-N 1 0 468.392 4.879 50 0 JJAARO Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CC[NH+](CC(C)C)CC3)c12 ZINC000037380600 569784965 /nfs/dbraw/zinc/78/49/65/569784965.db2.gz ROESZUZGMRQPTK-UHFFFAOYSA-N 1 0 458.585 4.632 50 0 JJAARO Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037547093 569794476 /nfs/dbraw/zinc/79/44/76/569794476.db2.gz RCRRPYRILIXVSV-UHFFFAOYSA-N 1 0 450.558 4.565 50 0 JJAARO COc1ccc(N(C2CC[NH+](Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000037570532 569795726 /nfs/dbraw/zinc/79/57/26/569795726.db2.gz YHBSVNBZPROWAY-UHFFFAOYSA-N 1 0 480.630 4.872 50 0 JJAARO COc1ccc(N(C2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000037560605 569795737 /nfs/dbraw/zinc/79/57/37/569795737.db2.gz PLMYAYQQWXAHKI-UHFFFAOYSA-N 1 0 466.603 4.564 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037587467 569796731 /nfs/dbraw/zinc/79/67/31/569796731.db2.gz ZWTVNANWFAHRBM-UHFFFAOYSA-N 1 0 494.613 4.592 50 0 JJAARO O=c1occ(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c([O-])c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000101411224 569797240 /nfs/dbraw/zinc/79/72/40/569797240.db2.gz WWYWQFDJCNQDPM-UHFFFAOYSA-N 1 0 494.035 4.701 50 0 JJAARO CC[NH+]1CCN([C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546588 569803443 /nfs/dbraw/zinc/80/34/43/569803443.db2.gz ZVBZCUDYULWNQX-HSZRJFAPSA-N 1 0 450.608 4.594 50 0 JJAARO CCN1CC[NH+](C[C@H](C)CNc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000040149296 569818800 /nfs/dbraw/zinc/81/88/00/569818800.db2.gz YCGPHLHGCGAHQN-MRXNPFEDSA-N 1 0 474.472 4.806 50 0 JJAARO O=C1C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000103292583 569834299 /nfs/dbraw/zinc/83/42/99/569834299.db2.gz KRQXADLEMAPPHP-XMMPIXPASA-N 1 0 495.501 4.952 50 0 JJAARO CC[C@H](C)N(Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1cc(OC)ccc1OC ZINC000104967739 569847710 /nfs/dbraw/zinc/84/77/10/569847710.db2.gz VOBALPWOPNXEAO-RBUKOAKNSA-N 1 0 451.567 4.984 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000104982693 569847964 /nfs/dbraw/zinc/84/79/64/569847964.db2.gz CAZSQENHHXTWGH-JTHBVZDNSA-N 1 0 461.002 4.520 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983086 569848021 /nfs/dbraw/zinc/84/80/21/569848021.db2.gz ZTJDULXERPKFLT-VQTJNVASSA-N 1 0 451.394 4.775 50 0 JJAARO CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000105003331 569849296 /nfs/dbraw/zinc/84/92/96/569849296.db2.gz CUNNTYHKLGTTOF-HARLFGEKSA-N 1 0 458.668 4.599 50 0 JJAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000105061869 569852692 /nfs/dbraw/zinc/85/26/92/569852692.db2.gz DKEHJRCHZHMYBD-NIYFSFCBSA-N 1 0 485.669 4.720 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCC2)C1 ZINC000105470230 569853068 /nfs/dbraw/zinc/85/30/68/569853068.db2.gz MISIYDDAZMPYOZ-UETOGOEVSA-N 1 0 494.680 4.780 50 0 JJAARO CCOc1ccc2cc(-c3cc(-c4cccc(C(=O)NCC[NH+](C)C)c4)cnc3N)ccc2c1 ZINC000116839315 569862833 /nfs/dbraw/zinc/86/28/33/569862833.db2.gz XBDRAUPLGHAFCU-UHFFFAOYSA-N 1 0 454.574 4.841 50 0 in-vitro JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)CC ZINC000169679256 569869558 /nfs/dbraw/zinc/86/95/58/569869558.db2.gz FHYRAIYUBUFYMA-XUZZJYLKSA-N 1 0 458.668 4.859 50 0 JJAARO Cc1sc2nc(CS[C@H](C)C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000195528980 569873486 /nfs/dbraw/zinc/87/34/86/569873486.db2.gz MEJIAVHTNJGTBW-VQIMIIECSA-N 1 0 498.718 4.771 50 0 JJAARO C[N@H+](CCCN1C(=O)[C@H](Oc2ccc(F)cc2Cl)[C@H]1c1cscn1)Cc1ccccc1 ZINC000230077579 570044539 /nfs/dbraw/zinc/04/45/39/570044539.db2.gz GDVNHVCDJAZRPM-FGZHOGPDSA-N 1 0 459.974 4.789 50 0 JJAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000230156916 570046112 /nfs/dbraw/zinc/04/61/12/570046112.db2.gz BEGNDCGQVPUYOS-XTEPFMGCSA-N 1 0 471.004 4.996 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228506 570055549 /nfs/dbraw/zinc/05/55/49/570055549.db2.gz CZLFGPGOHKLNOZ-KPURRNSFSA-N 1 0 478.681 4.959 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000245240543 570058138 /nfs/dbraw/zinc/05/81/38/570058138.db2.gz PZKXVMUUWQJJGR-OGZQRHRFSA-N 1 0 482.669 4.798 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000245257980 570060822 /nfs/dbraw/zinc/06/08/22/570060822.db2.gz JFHDDFHUZBUMGE-LYZGTLIUSA-N 1 0 480.653 4.676 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000245294799 570062596 /nfs/dbraw/zinc/06/25/96/570062596.db2.gz AKOLLWXEYMJPOJ-AHWVRZQESA-N 1 0 469.601 4.557 50 0 JJAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247499985 570068320 /nfs/dbraw/zinc/06/83/20/570068320.db2.gz PMTHPTRFZIRITQ-JOCHJYFZSA-N 1 0 456.565 4.736 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247918175 570071160 /nfs/dbraw/zinc/07/11/60/570071160.db2.gz WSTPVKIXBIFMRF-XMMPIXPASA-N 1 0 468.601 4.622 50 0 JJAARO CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247958892 570071705 /nfs/dbraw/zinc/07/17/05/570071705.db2.gz DRPNFWDWERFZKA-SFHVURJKSA-N 1 0 469.427 4.868 50 0 JJAARO CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247978907 570072147 /nfs/dbraw/zinc/07/21/47/570072147.db2.gz JBZWIMRGYDJDFY-SFHVURJKSA-N 1 0 469.427 4.868 50 0 JJAARO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000247994472 570072540 /nfs/dbraw/zinc/07/25/40/570072540.db2.gz CGWGCMAVZSROKA-LMSSTIIKSA-N 1 0 450.586 4.651 50 0 JJAARO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248021656 570072903 /nfs/dbraw/zinc/07/29/03/570072903.db2.gz UVVKZMNHQMKEHV-QGZVFWFLSA-N 1 0 455.400 4.525 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)nc3ccccc32)cc1 ZINC000248125219 570074763 /nfs/dbraw/zinc/07/47/63/570074763.db2.gz WNXQXHWQJYETPV-RUZDIDTESA-N 1 0 482.628 4.930 50 0 JJAARO CC(C)n1c(C[N@@H+]2CCC[C@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000248176148 570075979 /nfs/dbraw/zinc/07/59/79/570075979.db2.gz VUAYVEVMUUQTEZ-IBGZPJMESA-N 1 0 469.427 4.908 50 0 JJAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000252512251 570082691 /nfs/dbraw/zinc/08/26/91/570082691.db2.gz OMEGVDDLGUAPTE-NIJXNBFTSA-N 1 0 498.067 4.728 50 0 JJAARO O=C(c1ccc(OCC[NH+]2CCC(C(F)(F)F)CC2)cc1)N1CCN(c2ccccc2Cl)CC1 ZINC000263640085 570173951 /nfs/dbraw/zinc/17/39/51/570173951.db2.gz WYXWLOARHQJQLY-UHFFFAOYSA-N 1 0 495.973 4.956 50 0 JJAARO COc1ccc(C[C@H](C)[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cc1 ZINC000299777997 570176119 /nfs/dbraw/zinc/17/61/19/570176119.db2.gz OLFUERRCTZIHHC-QHCPKHFHSA-N 1 0 498.627 4.520 50 0 JJAARO O=C(NCc1nnc(SCC[NH+]2CCCC2)n1-c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000299786885 570176776 /nfs/dbraw/zinc/17/67/76/570176776.db2.gz RHFXFRLPWRYBJG-UHFFFAOYSA-N 1 0 481.588 4.671 50 0 JJAARO COc1ccc2cc(C[NH2+]C[C@@H]3COc4ccccc4O3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000299792078 570176942 /nfs/dbraw/zinc/17/69/42/570176942.db2.gz FGFLPLZMLSXQAG-JOCHJYFZSA-N 1 0 476.960 4.641 50 0 JJAARO O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000390827037 570185354 /nfs/dbraw/zinc/18/53/54/570185354.db2.gz SOHLPJRJYDTVKJ-LNEBKTTKSA-N 1 0 488.931 4.552 50 0 JJAARO Cc1ccccc1Cn1c(COCc2ccccc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000408524851 570185710 /nfs/dbraw/zinc/18/57/10/570185710.db2.gz GAGSLJGDMXESEW-UHFFFAOYSA-N 1 0 467.617 4.674 50 0 JJAARO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@H](c2cccnc2)N1c1ccc(Br)cc1 ZINC000001404893 194115692 /nfs/dbraw/zinc/11/56/92/194115692.db2.gz VMGFHLULMVHHSZ-QHCPKHFHSA-N 1 0 493.792 4.932 50 0 JJAARO CCOc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000002933447 194173828 /nfs/dbraw/zinc/17/38/28/194173828.db2.gz OGFUFAPTRXGLBA-YZIHRLCOSA-N 1 0 463.622 4.552 50 0 JJAARO CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCCCC2)cc1 ZINC000002973427 194189839 /nfs/dbraw/zinc/18/98/39/194189839.db2.gz DMQQZTYCDOVXKB-UHFFFAOYSA-N 1 0 464.635 4.566 50 0 JJAARO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCC[N@@H+](C)CCc3ccccc3)C2=O)cc1 ZINC000003046639 194216743 /nfs/dbraw/zinc/21/67/43/194216743.db2.gz OELOABOFIWHPHQ-OOAXWGSJSA-N 1 0 485.653 4.766 50 0 JJAARO OCc1cc([C@@H](O)C[NH2+]CCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O ZINC000003991624 194368164 /nfs/dbraw/zinc/36/81/64/194368164.db2.gz DAFYYTQWSAWIGS-DEOSSOPVSA-N 1 0 486.436 4.608 50 0 fda JJAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1OC ZINC000004035152 194371352 /nfs/dbraw/zinc/37/13/52/194371352.db2.gz VTUDCLJMCLRVED-UHFFFAOYSA-N 1 0 498.023 4.892 50 0 JJAARO O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009619792 194826065 /nfs/dbraw/zinc/82/60/65/194826065.db2.gz QGDVWSLTNOPCAT-UHFFFAOYSA-N 1 0 493.032 4.559 50 0 JJAARO COc1cc2nc(NCC[NH+]3[C@@H](C)CCC[C@@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831147 194981075 /nfs/dbraw/zinc/98/10/75/194981075.db2.gz PDDZQPJVCNPCGZ-ROUUACIJSA-N 1 0 460.582 4.637 50 0 JJAARO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1CC(c1ccccc1)c1ccccc1 ZINC000009861041 195001517 /nfs/dbraw/zinc/00/15/17/195001517.db2.gz UTBWRNDPDWQQFY-NDEPHWFRSA-N 1 0 452.598 4.901 50 0 JJAARO COc1ccc(S(=O)(=O)N2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000009933423 195025241 /nfs/dbraw/zinc/02/52/41/195025241.db2.gz ZZECDRDKNAGEKY-UHFFFAOYSA-N 1 0 464.631 4.593 50 0 JJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000009907983 195018746 /nfs/dbraw/zinc/01/87/46/195018746.db2.gz LKJONKZIRXYYLU-UHFFFAOYSA-N 1 0 457.983 4.736 50 0 JJAARO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c1)c1ccccc1O2 ZINC000009941801 195029663 /nfs/dbraw/zinc/02/96/63/195029663.db2.gz UOGITPDJQVPCIZ-PDDLMNHVSA-N 1 0 496.611 4.851 50 0 JJAARO Cc1nn(CC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C(C)C)c(=O)c2ccccc12 ZINC000009942790 195030189 /nfs/dbraw/zinc/03/01/89/195030189.db2.gz JFXHDXJFSSNCKR-UHFFFAOYSA-N 1 0 486.620 4.650 50 0 JJAARO Cc1cc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)ccc1N1CC[NH+](C)CC1 ZINC000012640161 195069932 /nfs/dbraw/zinc/06/99/32/195069932.db2.gz ALBPVEJYILTUTE-JLHYYAGUSA-N 1 0 478.600 4.646 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)[NH+]1CCCC1 ZINC000012748971 195104096 /nfs/dbraw/zinc/10/40/96/195104096.db2.gz RHKHJXJFSJLANN-SANMLTNESA-N 1 0 497.595 4.680 50 0 JJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012758115 195109695 /nfs/dbraw/zinc/10/96/95/195109695.db2.gz FCEIJWWCNGFIRO-QHCPKHFHSA-N 1 0 474.432 4.799 50 0 JJAARO CC(C)[NH+](CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(C)C ZINC000012764929 195112985 /nfs/dbraw/zinc/11/29/85/195112985.db2.gz OYVKJBFDGNGWSE-KRWDZBQOSA-N 1 0 472.680 4.508 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c2)cc1 ZINC000012803179 195140528 /nfs/dbraw/zinc/14/05/28/195140528.db2.gz RTDDWSOWWIVRAO-HSZRJFAPSA-N 1 0 483.659 4.733 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000012814063 195146134 /nfs/dbraw/zinc/14/61/34/195146134.db2.gz RPUICYAZYGXNAY-QHCPKHFHSA-N 1 0 463.603 4.966 50 0 JJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1C ZINC000012824681 195150548 /nfs/dbraw/zinc/15/05/48/195150548.db2.gz JKMIPFNCIXOSOV-UHFFFAOYSA-N 1 0 483.609 4.707 50 0 JJAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 ZINC000020677688 195202612 /nfs/dbraw/zinc/20/26/12/195202612.db2.gz INYZBPSBFLGZGM-UHFFFAOYSA-N 1 0 477.653 4.643 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020678163 195203149 /nfs/dbraw/zinc/20/31/49/195203149.db2.gz YWTIYHOQOGEVON-UHFFFAOYSA-N 1 0 459.619 4.688 50 0 JJAARO CC(C)(C)c1ccc2c(c1)N(CC(=O)NCC[NH+]1CCCC1)C(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000020727720 195208527 /nfs/dbraw/zinc/20/85/27/195208527.db2.gz ZEZOBVCUPLISHC-LFVJCYFKSA-N 1 0 482.024 4.616 50 0 JJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc3NC2=O)cc1 ZINC000020734074 195211871 /nfs/dbraw/zinc/21/18/71/195211871.db2.gz TUPIDONAPSTBJK-PCLIKHOPSA-N 1 0 473.598 4.642 50 0 JJAARO COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020761518 195217828 /nfs/dbraw/zinc/21/78/28/195217828.db2.gz JDTYZAJQIUXFIJ-UHFFFAOYSA-N 1 0 451.611 4.542 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CC[NH+]1CCCCCC1)C3=O ZINC000020903215 195242849 /nfs/dbraw/zinc/24/28/49/195242849.db2.gz PJOJPGXFCCOAAO-GDLZYMKVSA-N 1 0 494.680 4.579 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1c1cccs1 ZINC000020904399 195244719 /nfs/dbraw/zinc/24/47/19/195244719.db2.gz IXLVEQSAEAXYGF-IGKWTDBASA-N 1 0 453.652 4.675 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)Nc3ccc(Br)cc3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000020941380 195255587 /nfs/dbraw/zinc/25/55/87/195255587.db2.gz RDVPPOHCBFDXNQ-UHFFFAOYSA-N 1 0 453.384 4.971 50 0 JJAARO COc1cc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc(OC)c1OC ZINC000020941041 195255699 /nfs/dbraw/zinc/25/56/99/195255699.db2.gz KXDRPQRDGIKDNG-UHFFFAOYSA-N 1 0 484.984 4.579 50 0 JJAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020979283 195258794 /nfs/dbraw/zinc/25/87/94/195258794.db2.gz GHJOITOSHXOZEF-UHFFFAOYSA-N 1 0 453.590 4.674 50 0 JJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1=Cc2sc3c(c2CS1)CCCC3 ZINC000020931410 195251418 /nfs/dbraw/zinc/25/14/18/195251418.db2.gz DORUJLYEVPZDRZ-UHFFFAOYSA-N 1 0 467.704 4.539 50 0 JJAARO CCc1cc2c(cc1S(=O)(=O)NCC1CC[NH+](CCc3cccs3)CC1)[nH]c1c2C(=O)CCC1 ZINC000020990603 195262064 /nfs/dbraw/zinc/26/20/64/195262064.db2.gz FZVPCAGWWIEISM-UHFFFAOYSA-N 1 0 499.702 4.544 50 0 JJAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)C2)cc1 ZINC000020990100 195262145 /nfs/dbraw/zinc/26/21/45/195262145.db2.gz CABXBAYZBALCFC-NRFANRHFSA-N 1 0 493.673 4.740 50 0 JJAARO Cc1ccc2c(c1)-c1c(c(C(=O)NCCC[NH+]3CCN(c4cc(C)ccc4C)CC3)nn1C)CS2 ZINC000021049274 195272213 /nfs/dbraw/zinc/27/22/13/195272213.db2.gz XTHOZYRVYYONKU-UHFFFAOYSA-N 1 0 489.689 4.560 50 0 JJAARO O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021530375 195308492 /nfs/dbraw/zinc/30/84/92/195308492.db2.gz KZIFZRRTJGMGSN-HHHXNRCGSA-N 1 0 471.576 4.694 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915162 195331616 /nfs/dbraw/zinc/33/16/16/195331616.db2.gz NEQJJUWZJWHVRY-HXUWFJFHSA-N 1 0 462.638 4.908 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915168 195331734 /nfs/dbraw/zinc/33/17/34/195331734.db2.gz NEQJJUWZJWHVRY-FQEVSTJZSA-N 1 0 462.638 4.908 50 0 JJAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000058025592 195363015 /nfs/dbraw/zinc/36/30/15/195363015.db2.gz BSHKTBLQFZCLLV-UHFFFAOYSA-N 1 0 476.042 4.525 50 0 JJAARO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+]2CCCC2)c2c[nH]c3ccc(Cl)cc32)c1 ZINC000096276292 130013706 /nfs/dbraw/zinc/01/37/06/130013706.db2.gz QUEZCDVCOGNVCR-NRFANRHFSA-N 1 0 455.986 4.573 50 0 JJAARO CC(C)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096299673 130053101 /nfs/dbraw/zinc/05/31/01/130053101.db2.gz BWSOCKBQFOCZAT-HHHXNRCGSA-N 1 0 467.613 4.849 50 0 JJAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000096399379 130076899 /nfs/dbraw/zinc/07/68/99/130076899.db2.gz BMXUMURYNNAAMU-UHFFFAOYSA-N 1 0 474.649 4.683 50 0 JJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)Cc1ccccc1 ZINC000036309759 519636144 /nfs/dbraw/zinc/63/61/44/519636144.db2.gz WLYHIYICMQQRGF-BVAGGSTKSA-N 1 0 496.648 4.706 50 0 JJAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4)cn32)CC1 ZINC000020490300 519858112 /nfs/dbraw/zinc/85/81/12/519858112.db2.gz UZIGBAWXNBHXPW-UHFFFAOYSA-N 1 0 475.662 4.672 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306898 519881063 /nfs/dbraw/zinc/88/10/63/519881063.db2.gz VGWAAPUJLMGHSN-QFIPXVFZSA-N 1 0 495.595 4.935 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302048 520094260 /nfs/dbraw/zinc/09/42/60/520094260.db2.gz OKJGWVSKWKNPKX-QFIPXVFZSA-N 1 0 453.583 4.589 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)CC(C)C ZINC000036305311 520154580 /nfs/dbraw/zinc/15/45/80/520154580.db2.gz AFVKQNIELBXATK-JOCHJYFZSA-N 1 0 467.610 4.743 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036206527 520155071 /nfs/dbraw/zinc/15/50/71/520155071.db2.gz ZWOWJMJGLNUWEZ-HXUWFJFHSA-N 1 0 469.651 4.801 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302869 520155645 /nfs/dbraw/zinc/15/56/45/520155645.db2.gz QXXMTRLFEDSGNL-HSZRJFAPSA-N 1 0 479.621 4.845 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302663 520155686 /nfs/dbraw/zinc/15/56/86/520155686.db2.gz UTGOIUOSITWVEN-HSZRJFAPSA-N 1 0 479.621 4.845 50 0 JJAARO CCCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)NCc4ccco4)CC3)CC2)cc1 ZINC000034911997 520323909 /nfs/dbraw/zinc/32/39/09/520323909.db2.gz VBSVDWGODIWIAV-UHFFFAOYSA-N 1 0 465.638 4.645 50 0 JJAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000016752109 520424570 /nfs/dbraw/zinc/42/45/70/520424570.db2.gz WOSAEXLIYVOECX-RUZDIDTESA-N 1 0 478.589 4.786 50 0 JJAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000012302993 520458585 /nfs/dbraw/zinc/45/85/85/520458585.db2.gz GRVVJFOSKCJYIV-UHFFFAOYSA-N 1 0 451.542 4.830 50 0 JJAARO CCOC(=O)C1CCN(c2c(C(=O)c3ccc(C)c(C)c3)c[nH+]c3cc4c(cc32)OCCO4)CC1 ZINC000036102766 520583234 /nfs/dbraw/zinc/58/32/34/520583234.db2.gz KBLFXCDBDMHKAA-UHFFFAOYSA-N 1 0 474.557 4.633 50 0 JJAARO CCOc1ccc(-c2csc3c2nc(N2CC[NH+](C4CCCCC4)CC2)[nH]c3=O)cc1OCC ZINC000048989263 520812613 /nfs/dbraw/zinc/81/26/13/520812613.db2.gz BZIWSPVFQPFOII-UHFFFAOYSA-N 1 0 482.650 4.904 50 0 JJAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)CC1 ZINC000020181187 521002703 /nfs/dbraw/zinc/00/27/03/521002703.db2.gz QMCLZXNFFMUAIN-ULJHMMPZSA-N 1 0 467.610 4.544 50 0 JJAARO CC1CCN(c2ccc(-c3noc(C(=O)NCC4CC[NH+](Cc5ccccc5F)CC4)n3)cc2)CC1 ZINC000035457376 521038329 /nfs/dbraw/zinc/03/83/29/521038329.db2.gz MWLYTFAYMDSBFV-UHFFFAOYSA-N 1 0 491.611 4.754 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+]4CCCC4)c3)C2)cc1 ZINC000033035220 521084417 /nfs/dbraw/zinc/08/44/17/521084417.db2.gz ZUSSBWYAILFBDV-XMMPIXPASA-N 1 0 478.637 4.713 50 0 JJAARO CCC[C@]1(C2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O ZINC000014885955 521315015 /nfs/dbraw/zinc/31/50/15/521315015.db2.gz BPGLRWXJATWHBR-GGXMVOPNSA-N 1 0 475.633 4.835 50 0 JJAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014748843 521527617 /nfs/dbraw/zinc/52/76/17/521527617.db2.gz PFPWXDXDEJCZAX-UHFFFAOYSA-N 1 0 468.601 4.876 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccc(Cl)cc1)=N2 ZINC000045994794 521584848 /nfs/dbraw/zinc/58/48/48/521584848.db2.gz QBTGTRGULZLDEA-UHFFFAOYSA-N 1 0 458.990 4.864 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004147843 521637424 /nfs/dbraw/zinc/63/74/24/521637424.db2.gz QWAOVVDXYJPXGJ-OZWZFHKISA-N 1 0 465.682 4.509 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036305520 521678275 /nfs/dbraw/zinc/67/82/75/521678275.db2.gz SRFWVMINDGQZFD-QFIPXVFZSA-N 1 0 467.610 4.886 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCC ZINC000036302206 521680348 /nfs/dbraw/zinc/68/03/48/521680348.db2.gz FDTKXKMFHYLWLQ-QFIPXVFZSA-N 1 0 453.583 4.591 50 0 JJAARO CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022788664 521695821 /nfs/dbraw/zinc/69/58/21/521695821.db2.gz LDUGWTABCZDADB-UHFFFAOYSA-N 1 0 489.645 4.508 50 0 JJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)cc4)ccc3n2)CC1 ZINC000033084642 521696219 /nfs/dbraw/zinc/69/62/19/521696219.db2.gz IRIWQBJEMHTRPP-UHFFFAOYSA-N 1 0 453.384 4.700 50 0 JJAARO COC(=O)c1c(NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)onc1-c1ccc(Cl)cc1 ZINC000033269062 521775643 /nfs/dbraw/zinc/77/56/43/521775643.db2.gz IVNKWYYAPYDEKW-UHFFFAOYSA-N 1 0 472.948 4.545 50 0 JJAARO CC[C@@H](C)[N@H+](CCNC(=O)C1CCN(c2nc3cc(C)ccc3[nH]2)CC1)Cc1cccs1 ZINC000033070899 522088002 /nfs/dbraw/zinc/08/80/02/522088002.db2.gz HYDMOWWEUYLVCT-LJQANCHMSA-N 1 0 453.656 4.566 50 0 JJAARO CC[C@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309676 522806660 /nfs/dbraw/zinc/80/66/60/522806660.db2.gz IYPMEVAZYMZVCI-REWPJTCUSA-N 1 0 462.631 4.511 50 0 JJAARO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000014950658 522820541 /nfs/dbraw/zinc/82/05/41/522820541.db2.gz XTICVTBMZRLQIJ-LJQANCHMSA-N 1 0 468.623 4.513 50 0 JJAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([N@H+](C)Cc1nc(-c3ccccc3)cs1)CC2 ZINC000014744123 523344649 /nfs/dbraw/zinc/34/46/49/523344649.db2.gz BCGNMVLVASCJLL-QFIPXVFZSA-N 1 0 485.657 4.805 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H](O)COC(C)(C)C ZINC000036306952 523736178 /nfs/dbraw/zinc/73/61/78/523736178.db2.gz TWXSFTPGPMOBIU-QFIPXVFZSA-N 1 0 485.600 4.643 50 0 JJAARO CCc1cc(-c2csc(S(=O)(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)on1 ZINC000033290301 523736672 /nfs/dbraw/zinc/73/66/72/523736672.db2.gz JZKNDQBGOUDDKX-UHFFFAOYSA-N 1 0 480.055 4.809 50 0 JJAARO COc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)c2ccccc12 ZINC000014879519 524024451 /nfs/dbraw/zinc/02/44/51/524024451.db2.gz RUBDMHJFLULVGS-AREMUKBSSA-N 1 0 463.603 4.633 50 0 JJAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([N@H+](C)Cc1cc3ccccc3s1)CC2 ZINC000014732688 524032691 /nfs/dbraw/zinc/03/26/91/524032691.db2.gz FUFAOMIYSZVKHH-NRFANRHFSA-N 1 0 458.631 4.837 50 0 JJAARO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccccc3F)C4=O)CC2)c(C)c1C ZINC000014991157 524034089 /nfs/dbraw/zinc/03/40/89/524034089.db2.gz LGHRWHVYVNVTTI-UHFFFAOYSA-N 1 0 487.575 4.570 50 0 JJAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000014749348 524064900 /nfs/dbraw/zinc/06/49/00/524064900.db2.gz SSMDAESJZMYHGQ-RRPNLBNLSA-N 1 0 497.639 4.577 50 0 JJAARO C[C@H](CCNC(=O)CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)[NH+]1CCCC1 ZINC000033115989 524181706 /nfs/dbraw/zinc/18/17/06/524181706.db2.gz VQZIKJBCEGDHDT-OAQYLSRUSA-N 1 0 488.632 4.728 50 0 JJAARO C[C@H](CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1)[NH+]1CCCC1 ZINC000065002195 524191777 /nfs/dbraw/zinc/19/17/77/524191777.db2.gz XEPRXGLXZBSZPT-OAQYLSRUSA-N 1 0 492.067 4.819 50 0 JJAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020384900 524265017 /nfs/dbraw/zinc/26/50/17/524265017.db2.gz ZWKOWSDZHLSEGL-RTBURBONSA-N 1 0 495.693 4.598 50 0 JJAARO Cc1cc(C)c2c(n1)sc(C(=O)NCCCN1CC[NH+](C3CCCCC3)CC1)c2-n1cccc1 ZINC000020465959 524350707 /nfs/dbraw/zinc/35/07/07/524350707.db2.gz SZPNJSFLZRBBTQ-UHFFFAOYSA-N 1 0 479.694 4.774 50 0 JJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccccc2F)o1 ZINC000033518749 524415458 /nfs/dbraw/zinc/41/54/58/524415458.db2.gz KKOTWSHRSCKHCH-UHFFFAOYSA-N 1 0 491.607 4.537 50 0 JJAARO COc1ccc(NC(=O)[C@H]2C[C@H](Cc3ccccc3)[NH2+][C@]23C(=O)Nc2c3cc(Cl)cc2C)cc1 ZINC000035375671 524618514 /nfs/dbraw/zinc/61/85/14/524618514.db2.gz YMRSVAKAWVMGFM-OSADXMDESA-N 1 0 475.976 4.664 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000004792106 524734786 /nfs/dbraw/zinc/73/47/86/524734786.db2.gz AIIGKFNSLIETKC-UHFFFAOYSA-N 1 0 465.823 4.745 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000021864573 525200792 /nfs/dbraw/zinc/20/07/92/525200792.db2.gz JGHVLOQMPKTXKU-MUUNZHRXSA-N 1 0 480.653 4.678 50 0 JJAARO Cc1cc(Nc2nc(C(=O)NCCC[NH+]3CCCC3)cc3occc32)ccc1Br ZINC000085651284 525308472 /nfs/dbraw/zinc/30/84/72/525308472.db2.gz FKPCDKMNEZURIR-UHFFFAOYSA-N 1 0 457.372 4.858 50 0 JJAARO C[C@@H](NC(=O)c1ccc(N2CCC([N@H+](CCO)Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000012513067 525329296 /nfs/dbraw/zinc/32/92/96/525329296.db2.gz VVSBBZRGOXNIPI-HSZRJFAPSA-N 1 0 457.618 4.641 50 0 JJAARO Cc1[nH]c2c(cccc2C(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4cnn(C)c4)cc3)CC2)c1C ZINC000014988514 525417885 /nfs/dbraw/zinc/41/78/85/525417885.db2.gz INQPTFQUQBDANC-UHFFFAOYSA-N 1 0 485.632 4.834 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000034830379 525448493 /nfs/dbraw/zinc/44/84/93/525448493.db2.gz VSGIDOHNUYLSLK-CUNXSJBXSA-N 1 0 487.669 4.767 50 0 JJAARO Cc1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078892 525609576 /nfs/dbraw/zinc/60/95/76/525609576.db2.gz UXEQGORSWHBTAP-UHFFFAOYSA-N 1 0 477.678 4.947 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000012454152 525749826 /nfs/dbraw/zinc/74/98/26/525749826.db2.gz OVLFPKAPDPIXGA-XMMPIXPASA-N 1 0 494.661 4.935 50 0 JJAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)NCC4([NH+]5CCCCC5)CCCC4)c3C3CC3)n2)o1 ZINC000012245567 525761569 /nfs/dbraw/zinc/76/15/69/525761569.db2.gz ZZQMGWSKDLRDGS-UHFFFAOYSA-N 1 0 474.609 4.637 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698277 525784252 /nfs/dbraw/zinc/78/42/52/525784252.db2.gz MSWSUAMTZHREBQ-NDEPHWFRSA-N 1 0 487.575 4.863 50 0 JJAARO Cc1ccc(-c2csc3ncnc(N4CC[NH+](CCCOCC(F)(F)F)CC4)c23)cc1 ZINC000048287637 525788167 /nfs/dbraw/zinc/78/81/67/525788167.db2.gz UDPGLVJDVWATGP-UHFFFAOYSA-N 1 0 450.530 4.758 50 0 JJAARO COc1cccc(C(=O)N(Cc2ccc(OCC[NH+]3CCCCC3)cc2)Cc2ccccn2)c1OC ZINC000014983889 525793068 /nfs/dbraw/zinc/79/30/68/525793068.db2.gz WKVVHKSEHQAYQF-UHFFFAOYSA-N 1 0 489.616 4.806 50 0 JJAARO Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1C ZINC000022716230 525843254 /nfs/dbraw/zinc/84/32/54/525843254.db2.gz ZZHVYIVXHBKVEK-WMZOPIPTSA-N 1 0 479.576 4.659 50 0 JJAARO Cc1ccc([C@H](C)CC[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3CC(C)C)o1 ZINC000014747545 525875762 /nfs/dbraw/zinc/87/57/62/525875762.db2.gz MXRYLGQIYKSYNU-JOCHJYFZSA-N 1 0 480.653 4.864 50 0 JJAARO COc1cccc(C[NH+]2CCC([C@@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1 ZINC000014888997 525935974 /nfs/dbraw/zinc/93/59/74/525935974.db2.gz JATDHFXNTMUPED-MUUNZHRXSA-N 1 0 479.596 4.522 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698106 525979766 /nfs/dbraw/zinc/97/97/66/525979766.db2.gz NCCQBEOGAMMUCM-GDLZYMKVSA-N 1 0 498.602 4.665 50 0 JJAARO Cc1c[nH]c2cccc(OC[C@@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020461866 526000252 /nfs/dbraw/zinc/00/02/52/526000252.db2.gz WCIMODZEMJEZFL-VWLOTQADSA-N 1 0 455.602 4.623 50 0 in-vitro JJAARO Cc1c[nH]c2cccc(OC[C@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c12 ZINC000020461868 526000746 /nfs/dbraw/zinc/00/07/46/526000746.db2.gz WCIMODZEMJEZFL-RUZDIDTESA-N 1 0 455.602 4.623 50 0 in-vitro JJAARO Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1C ZINC000022716226 526032094 /nfs/dbraw/zinc/03/20/94/526032094.db2.gz ZZHVYIVXHBKVEK-AEFFLSMTSA-N 1 0 479.576 4.659 50 0 JJAARO COc1cccc(C[C@@H](C2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)N(C)C(=O)c2ccco2)c1 ZINC000014963814 526073378 /nfs/dbraw/zinc/07/33/78/526073378.db2.gz ORYQDTHKAHGYMJ-SANMLTNESA-N 1 0 474.601 4.819 50 0 JJAARO CSc1ccc2cc(C[NH2+][C@H]3CCCc4ccccc43)c(N3CCN(C(C)=O)CC3)nc2c1 ZINC000014969919 526082369 /nfs/dbraw/zinc/08/23/69/526082369.db2.gz OOQRGSNXMCBONB-VWLOTQADSA-N 1 0 460.647 4.792 50 0 JJAARO CSc1ccc2cc(C[NH2+][C@@H]3CCCc4ccccc43)c(N3CCN(C(C)=O)CC3)nc2c1 ZINC000014969915 526082610 /nfs/dbraw/zinc/08/26/10/526082610.db2.gz OOQRGSNXMCBONB-RUZDIDTESA-N 1 0 460.647 4.792 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000021811795 526245972 /nfs/dbraw/zinc/24/59/72/526245972.db2.gz BSQKNGLCBQSICK-KMRXNPHXSA-N 1 0 482.669 4.942 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255183 526247759 /nfs/dbraw/zinc/24/77/59/526247759.db2.gz GVZUABVLAPJXNV-NRFANRHFSA-N 1 0 474.605 4.581 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000036146655 526287872 /nfs/dbraw/zinc/28/78/72/526287872.db2.gz REMKEXMDXRZWCD-RBBKRZOGSA-N 1 0 472.944 4.645 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(Oc2nccnc2Sc2ccc(Cl)cc2)cc1 ZINC000033139913 526305032 /nfs/dbraw/zinc/30/50/32/526305032.db2.gz RHYWCTQFYVOLSS-UHFFFAOYSA-N 1 0 454.983 4.899 50 0 JJAARO O[C@](c1ccccc1)(c1ccc(Br)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440873 526319310 /nfs/dbraw/zinc/31/93/10/526319310.db2.gz GKWKQOZLNYGLLH-JWQCQUIFSA-N 1 0 452.392 4.801 50 0 JJAARO O=C(CCC(=O)N1Cc2cccn2-c2ccccc21)NCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000021663670 526383899 /nfs/dbraw/zinc/38/38/99/526383899.db2.gz OFNGFSMENNWUHQ-UHFFFAOYSA-N 1 0 484.644 4.565 50 0 JJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995505 526578644 /nfs/dbraw/zinc/57/86/44/526578644.db2.gz QQCVUALXUOEVOR-WMZHIEFXSA-N 1 0 455.002 4.537 50 0 JJAARO Cc1nc(C(=O)NC[C@@H](C)Oc2cccc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2)cs1 ZINC000014995715 526648372 /nfs/dbraw/zinc/64/83/72/526648372.db2.gz RUZICTILIMOVEH-GOSISDBHSA-N 1 0 485.053 4.624 50 0 JJAARO Cc1occc1C(=O)N(C)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012338161 526801480 /nfs/dbraw/zinc/80/14/80/526801480.db2.gz MHJQNGUNYJDPQO-SANMLTNESA-N 1 0 474.601 4.955 50 0 JJAARO Cc1nc(C[N@@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)cs1 ZINC000014964772 526844743 /nfs/dbraw/zinc/84/47/43/526844743.db2.gz JJRKWTRPSJGASW-LJQANCHMSA-N 1 0 468.623 4.594 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CC1(c2ccccc2)CCOCC1 ZINC000012244934 526990245 /nfs/dbraw/zinc/99/02/45/526990245.db2.gz VBSTUKQSXGCMGU-QHCPKHFHSA-N 1 0 460.540 4.925 50 0 JJAARO O=C(CSc1nccnc1Sc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033168944 527071848 /nfs/dbraw/zinc/07/18/48/527071848.db2.gz OXUOXPUCSSZDTR-UHFFFAOYSA-N 1 0 450.633 4.501 50 0 JJAARO O=C(Nc1cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCCC2)c1)c1ccccn1 ZINC000012217168 527107158 /nfs/dbraw/zinc/10/71/58/527107158.db2.gz XDNBHQFDXFHUOU-UHFFFAOYSA-N 1 0 482.506 4.879 50 0 JJAARO [NH3+]CCCCCC(=O)N(CCc1nc(-c2ccc(C(F)(F)F)cc2)no1)CCc1ccccc1 ZINC000034904986 527171663 /nfs/dbraw/zinc/17/16/63/527171663.db2.gz UCXUYBMCBJZKCM-UHFFFAOYSA-N 1 0 474.527 4.888 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000035461442 527530789 /nfs/dbraw/zinc/53/07/89/527530789.db2.gz NXMPXWLCRPCRKA-UHFFFAOYSA-N 1 0 487.673 4.625 50 0 JJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)c1cccs1)C(C)C ZINC000034835696 527536170 /nfs/dbraw/zinc/53/61/70/527536170.db2.gz RZALDDVKYIEWAW-UHFFFAOYSA-N 1 0 483.657 4.963 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145884 527658560 /nfs/dbraw/zinc/65/85/60/527658560.db2.gz XPYLENWWPXBGDT-FTJBHMTQSA-N 1 0 464.993 4.913 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611161 527667914 /nfs/dbraw/zinc/66/79/14/527667914.db2.gz CLXQDSUKYDVOHU-UHFFFAOYSA-N 1 0 486.591 4.694 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1sc2ncccc2c1-n1cccc1 ZINC000008610759 527668060 /nfs/dbraw/zinc/66/80/60/527668060.db2.gz YTMADNTXXKXADQ-UHFFFAOYSA-N 1 0 480.037 4.683 50 0 JJAARO COc1cc(Br)cc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000000934817 553873297 /nfs/dbraw/zinc/87/32/97/553873297.db2.gz SKDXCDLIKHGQMG-LJQANCHMSA-N 1 0 460.347 4.562 50 0 JJAARO CC(C)(C)[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH2+]C2CC2)CCCCC1 ZINC000001030846 553901120 /nfs/dbraw/zinc/90/11/20/553901120.db2.gz QVIPCNZDKHIVBL-LEWJYISDSA-N 1 0 485.036 4.694 50 0 JJAARO COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000002202000 554091280 /nfs/dbraw/zinc/09/12/80/554091280.db2.gz MWPDSDDFEAWXEZ-RRPNLBNLSA-N 1 0 482.540 4.825 50 0 JJAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000002413680 554193601 /nfs/dbraw/zinc/19/36/01/554193601.db2.gz CLXPLGBTTGMABJ-HHHXNRCGSA-N 1 0 498.579 4.796 50 0 JJAARO COc1ccc(C[N@H+](C)C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)c(OC)c1OC ZINC000002624241 554248221 /nfs/dbraw/zinc/24/82/21/554248221.db2.gz DPYURSACHOSWRT-SFHVURJKSA-N 1 0 451.991 4.669 50 0 JJAARO O[C@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)COCc1ccc2c(c1)OCO2 ZINC000002664068 554277092 /nfs/dbraw/zinc/27/70/92/554277092.db2.gz YRYBDWLKRUCDRP-KNQAVFIVSA-N 1 0 478.976 4.849 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002890261 554408728 /nfs/dbraw/zinc/40/87/28/554408728.db2.gz AFROGZLFPMZUBK-JOCHJYFZSA-N 1 0 499.405 4.841 50 0 JJAARO CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000002890332 554408735 /nfs/dbraw/zinc/40/87/35/554408735.db2.gz ADVHGVUUHSNHOJ-QFIPXVFZSA-N 1 0 454.954 4.732 50 0 JJAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)C[NH+]3CCCCCC3)cc21 ZINC000008396990 554571931 /nfs/dbraw/zinc/57/19/31/554571931.db2.gz MRQMXKCLXVJFDF-HSZRJFAPSA-N 1 0 464.606 4.790 50 0 JJAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)C[NH+]3CCCCCC3)cc21 ZINC000008396995 554571976 /nfs/dbraw/zinc/57/19/76/554571976.db2.gz MRQMXKCLXVJFDF-QHCPKHFHSA-N 1 0 464.606 4.790 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)[NH+](C)C)cc1 ZINC000008762528 554662324 /nfs/dbraw/zinc/66/23/24/554662324.db2.gz JIHKVEBPGGQHQB-AREMUKBSSA-N 1 0 454.574 4.640 50 0 JJAARO Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NCCC[NH+](C)C)cc1 ZINC000009045833 554870260 /nfs/dbraw/zinc/87/02/60/554870260.db2.gz MXXPOBMGINPDNZ-QJOMJCCJSA-N 1 0 465.981 4.747 50 0 JJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)C5CCCCC5)ccc4n3C)CC2)cc1 ZINC000009124123 554914998 /nfs/dbraw/zinc/91/49/98/554914998.db2.gz QXDHXMZZYBJSID-UHFFFAOYSA-N 1 0 459.638 4.765 50 0 JJAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2cccc(Br)c2)CC1 ZINC000009151157 554937458 /nfs/dbraw/zinc/93/74/58/554937458.db2.gz ZOCNKQVXVGPWQP-UHFFFAOYSA-N 1 0 460.372 4.696 50 0 JJAARO COc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc2c1 ZINC000009151929 554939275 /nfs/dbraw/zinc/93/92/75/554939275.db2.gz COWKGEGTXZUSCN-UHFFFAOYSA-N 1 0 454.415 4.727 50 0 JJAARO COc1ccccc1CN(C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)C1CC[NH+](C)CC1 ZINC000009227624 555000579 /nfs/dbraw/zinc/00/05/79/555000579.db2.gz MJFDMFCSPGMCRR-UHFFFAOYSA-N 1 0 476.621 4.794 50 0 JJAARO COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000009265255 555041020 /nfs/dbraw/zinc/04/10/20/555041020.db2.gz SWOGNZWJYRZPDW-UHFFFAOYSA-N 1 0 475.589 4.713 50 0 JJAARO COc1cccc(OC)c1C(=O)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265392 555041321 /nfs/dbraw/zinc/04/13/21/555041321.db2.gz JMDCTSNPWLATQW-UHFFFAOYSA-N 1 0 491.588 4.793 50 0 JJAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c12 ZINC000009266287 555042551 /nfs/dbraw/zinc/04/25/51/555042551.db2.gz VGMQQJNRZLIAKY-INIZCTEOSA-N 1 0 454.018 4.851 50 0 JJAARO C[C@H]1CN(C(=O)CCC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1 ZINC000009286953 555060465 /nfs/dbraw/zinc/06/04/65/555060465.db2.gz QRFXWUZQZNSJDZ-NRFANRHFSA-N 1 0 498.067 4.695 50 0 JJAARO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000009344865 555110363 /nfs/dbraw/zinc/11/03/63/555110363.db2.gz XNJLZUVTTLNRHS-AHWVRZQESA-N 1 0 452.514 4.816 50 0 JJAARO Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000009405097 555163722 /nfs/dbraw/zinc/16/37/22/555163722.db2.gz OYYQZEYACVGLGA-UHFFFAOYSA-N 1 0 454.977 4.725 50 0 JJAARO Cc1c(C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)sc2nc3n(c(=O)c12)CCCCC3 ZINC000009405706 555165076 /nfs/dbraw/zinc/16/50/76/555165076.db2.gz RRNXDAIAMJGYFW-UHFFFAOYSA-N 1 0 466.651 4.523 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCC(C)CC2)[C@H]1c1cccs1 ZINC000009433049 555202893 /nfs/dbraw/zinc/20/28/93/555202893.db2.gz IATKEGZGLZECIE-JWQCQUIFSA-N 1 0 467.679 4.923 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433453 555203700 /nfs/dbraw/zinc/20/37/00/555203700.db2.gz CLQXFPIAKJYUDT-ZEQRLZLVSA-N 1 0 453.652 4.820 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433704 555204112 /nfs/dbraw/zinc/20/41/12/555204112.db2.gz RRKXINANZRDBNY-JWQCQUIFSA-N 1 0 465.663 4.964 50 0 JJAARO Cc1ccc2nc(-c3ccccc3)c(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)n2c1 ZINC000009477911 555259400 /nfs/dbraw/zinc/25/94/00/555259400.db2.gz JBEZHVREXIKTSI-UHFFFAOYSA-N 1 0 468.557 4.889 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000009490869 555267003 /nfs/dbraw/zinc/26/70/03/555267003.db2.gz GWRZZMLEZLLAEZ-UHFFFAOYSA-N 1 0 486.019 4.892 50 0 JJAARO C[N@H+](CCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1)C1CCCCC1 ZINC000009637362 555345088 /nfs/dbraw/zinc/34/50/88/555345088.db2.gz DLAAFSFNDVWRSZ-UHFFFAOYSA-N 1 0 492.689 4.925 50 0 JJAARO CCCC[NH+]1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)CC1 ZINC000013321627 555375999 /nfs/dbraw/zinc/37/59/99/555375999.db2.gz AZOFBNUKJKKUKJ-UHFFFAOYSA-N 1 0 453.384 4.617 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000009671561 555391437 /nfs/dbraw/zinc/39/14/37/555391437.db2.gz JFQMCWBZNSLXBW-QFIPXVFZSA-N 1 0 452.558 4.552 50 0 JJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)[C@@H]2c2ccccc2)cc1 ZINC000009672463 555394710 /nfs/dbraw/zinc/39/47/10/555394710.db2.gz BNCMBOXWQNDJDK-SVEHJYQDSA-N 1 0 498.627 4.570 50 0 JJAARO O=C(NCC1CC[NH+](CCc2cccs2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000009686379 555415234 /nfs/dbraw/zinc/41/52/34/555415234.db2.gz BVCSULGCNDBYPD-UHFFFAOYSA-N 1 0 495.718 4.554 50 0 JJAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)cc1 ZINC000009693067 555422488 /nfs/dbraw/zinc/42/24/88/555422488.db2.gz KYKGUVJYSYOGIY-UHFFFAOYSA-N 1 0 477.586 4.504 50 0 JJAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCCCN(C)c2ccccc2)CC1 ZINC000009693916 555423593 /nfs/dbraw/zinc/42/35/93/555423593.db2.gz KEOHFYHNLAGPLV-UHFFFAOYSA-N 1 0 460.622 4.813 50 0 JJAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000009711970 555434968 /nfs/dbraw/zinc/43/49/68/555434968.db2.gz XEIHSPRCFUBQFZ-SFHVURJKSA-N 1 0 470.923 4.517 50 0 JJAARO Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CC(=O)NCC[NH+]2CCCC2)c1-c1ccccc1 ZINC000009614573 555451541 /nfs/dbraw/zinc/45/15/41/555451541.db2.gz YPODBEIEOMFJRU-SSEXGKCCSA-N 1 0 492.623 4.603 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000009743628 555475094 /nfs/dbraw/zinc/47/50/94/555475094.db2.gz HBHHIKIMGXHDEQ-XMMPIXPASA-N 1 0 470.573 4.767 50 0 JJAARO COc1cc2c(cc1C(=O)Cc1ccccc1)[C@H](CCc1cc(OC)c(OC)c(OC)c1)[NH2+]CC2 ZINC000019865855 555520999 /nfs/dbraw/zinc/52/09/99/555520999.db2.gz QRGCAQVTBTWDEX-DEOSSOPVSA-N 1 0 475.585 4.966 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cccc(OCc3c(C)noc3C)c2)[NH+]2CCCCC2)cc1 ZINC000009820686 555523568 /nfs/dbraw/zinc/52/35/68/555523568.db2.gz YUIPDFUXMSIITB-AREMUKBSSA-N 1 0 463.578 4.836 50 0 JJAARO O=c1c2c3c(sc2ncn1Cc1ccccc1F)C[C@H]([NH2+]Cc1ccccc1Cl)CC3 ZINC000019885542 555528644 /nfs/dbraw/zinc/52/86/44/555528644.db2.gz HBFQIQGIPIXTQM-QGZVFWFLSA-N 1 0 453.970 4.946 50 0 JJAARO Clc1cccc(N2CC[NH+](CCCNc3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)c1 ZINC000009831077 555532629 /nfs/dbraw/zinc/53/26/29/555532629.db2.gz NWUPZCIPVIWTHN-UHFFFAOYSA-N 1 0 499.022 4.617 50 0 JJAARO CCCc1nc2c3ccccc3nc(NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n2n1 ZINC000009831168 555532860 /nfs/dbraw/zinc/53/28/60/555532860.db2.gz RWLYVECGPMMJKJ-UHFFFAOYSA-N 1 0 464.017 4.508 50 0 JJAARO COc1cc2nc(NCC[N@H+]3[C@H](C)CCC[C@@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831146 555532903 /nfs/dbraw/zinc/53/29/03/555532903.db2.gz PDDZQPJVCNPCGZ-HDICACEKSA-N 1 0 460.582 4.637 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000009835770 555541048 /nfs/dbraw/zinc/54/10/48/555541048.db2.gz ZONPMJINROAUIX-WUFINQPMSA-N 1 0 485.628 4.634 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@H+](CC)Cc4ccccc4)C3)sc2c1 ZINC000009848140 555549951 /nfs/dbraw/zinc/54/99/51/555549951.db2.gz NPRWQVHLSKVUNA-JOCHJYFZSA-N 1 0 480.678 4.940 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)sc2c1 ZINC000009848151 555550203 /nfs/dbraw/zinc/55/02/03/555550203.db2.gz SRRCTFTUYDBELA-LJQANCHMSA-N 1 0 458.672 4.682 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@@H]2C)c1 ZINC000009857768 555559025 /nfs/dbraw/zinc/55/90/25/555559025.db2.gz FYXBWCHZYQXSTO-FQEVSTJZSA-N 1 0 461.631 4.947 50 0 JJAARO CCOc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019944506 555562750 /nfs/dbraw/zinc/56/27/50/555562750.db2.gz OKCUXMOTGJCSHH-UHFFFAOYSA-N 1 0 495.631 4.503 50 0 JJAARO C[NH+](C)CCCN1C(=S)N=NC1c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000020028574 555603837 /nfs/dbraw/zinc/60/38/37/555603837.db2.gz MDIOIQRBGVRWAR-HOCLYGCPSA-N 1 0 485.967 4.696 50 0 JJAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@H](O)C[NH+]3CCN(CCO)CC3)c2c(C)c1 ZINC000020031679 555606708 /nfs/dbraw/zinc/60/67/08/555606708.db2.gz AZIGWLHAHSFDBH-HHHXNRCGSA-N 1 0 483.656 4.563 50 0 JJAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013800170 555621135 /nfs/dbraw/zinc/62/11/35/555621135.db2.gz GNEXEQXOBNDLIP-KRWDZBQOSA-N 1 0 451.542 4.765 50 0 JJAARO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c(OC)c1 ZINC000013811183 555627107 /nfs/dbraw/zinc/62/71/07/555627107.db2.gz DEHBSULNZUIEQM-LOSJGSFVSA-N 1 0 456.477 4.647 50 0 JJAARO Cc1cc(C)n(-c2nc3sc4c(c3c(SCC[NH+]3CCCCC3)n2)CC(C)(C)OC4)n1 ZINC000013811262 555627471 /nfs/dbraw/zinc/62/74/71/555627471.db2.gz UKFSXCBZTFMSSN-UHFFFAOYSA-N 1 0 457.669 4.923 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100455 555633554 /nfs/dbraw/zinc/63/35/54/555633554.db2.gz LBRZEVPOTFRNNF-UHFFFAOYSA-N 1 0 471.620 4.972 50 0 JJAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1[NH+]1CCCC1 ZINC000020109539 555645547 /nfs/dbraw/zinc/64/55/47/555645547.db2.gz ZUPNHWKQRVPQRN-JYFHCDHNSA-N 1 0 469.073 4.503 50 0 JJAARO CCOc1cc(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc(OCC)c1OCC ZINC000020114403 555652133 /nfs/dbraw/zinc/65/21/33/555652133.db2.gz NMXNEDHWJAESCI-UHFFFAOYSA-N 1 0 492.620 4.743 50 0 JJAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114941 555652689 /nfs/dbraw/zinc/65/26/89/555652689.db2.gz AQWYUQYBRCWWOR-QHCPKHFHSA-N 1 0 499.080 4.711 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)[NH+]2CCCC2)cc1 ZINC000014023489 555674463 /nfs/dbraw/zinc/67/44/63/555674463.db2.gz LBGQFNXZSBKWRI-DEOSSOPVSA-N 1 0 467.013 4.777 50 0 JJAARO COC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC ZINC000014092953 555685554 /nfs/dbraw/zinc/68/55/54/555685554.db2.gz HNEGAGMLSGLAAK-OAQYLSRUSA-N 1 0 457.611 4.725 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020181294 555688222 /nfs/dbraw/zinc/68/82/22/555688222.db2.gz LNPLFNCMRKJJHI-QYMGICNHSA-N 1 0 477.674 4.959 50 0 JJAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000014185206 555726604 /nfs/dbraw/zinc/72/66/04/555726604.db2.gz UERASCDPVBJNHG-VWLOTQADSA-N 1 0 470.573 4.767 50 0 JJAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241415 555736824 /nfs/dbraw/zinc/73/68/24/555736824.db2.gz CXRHZOAHPAZNFT-OTTIEBEZSA-N 1 0 466.453 4.624 50 0 JJAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCN(c3ccccc3)CC1)c(C)n2Cc1ccccc1 ZINC000020267560 555748599 /nfs/dbraw/zinc/74/85/99/555748599.db2.gz YXQCMTVGQGWUAK-MUUNZHRXSA-N 1 0 455.602 4.862 50 0 JJAARO Clc1ccc(-c2noc3ncnc(NCCC[NH+]4CCN(Cc5ccccc5)CC4)c32)cc1 ZINC000020330082 555775399 /nfs/dbraw/zinc/77/53/99/555775399.db2.gz AHUZFOMMKKKDEG-UHFFFAOYSA-N 1 0 462.985 4.558 50 0 JJAARO CCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000011614432 555790982 /nfs/dbraw/zinc/79/09/82/555790982.db2.gz RMRWJXAKORYUQN-JOCHJYFZSA-N 1 0 499.405 4.841 50 0 JJAARO CC(C)C[C@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531406 555798983 /nfs/dbraw/zinc/79/89/83/555798983.db2.gz IHWJPNUMRCDEMQ-HHHXNRCGSA-N 1 0 461.650 4.518 50 0 JJAARO CC(C)C[C@@H](C(=O)NCCC[NH+]1CCC(Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000020531407 555799103 /nfs/dbraw/zinc/79/91/03/555799103.db2.gz IHWJPNUMRCDEMQ-MHZLTWQESA-N 1 0 461.650 4.518 50 0 JJAARO CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532131 555800133 /nfs/dbraw/zinc/80/01/33/555800133.db2.gz KVBYLEZRFGLCJB-GOSISDBHSA-N 1 0 484.622 4.825 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020532250 555801354 /nfs/dbraw/zinc/80/13/54/555801354.db2.gz ZTLMQFRQKFXQPX-INIZCTEOSA-N 1 0 452.580 4.571 50 0 JJAARO CCOC(=O)c1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000020532240 555801396 /nfs/dbraw/zinc/80/13/96/555801396.db2.gz HHKMNTZPBXMAIF-QGZVFWFLSA-N 1 0 466.607 4.976 50 0 JJAARO COc1cc(OC)c(OC)cc1C[NH+]1CCC2(C[C@@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000011782307 555812761 /nfs/dbraw/zinc/81/27/61/555812761.db2.gz GWXRDQNDNHCOMQ-HXUWFJFHSA-N 1 0 456.608 4.675 50 0 JJAARO C[C@H](C[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1)c1ccccc1 ZINC000011786748 555820260 /nfs/dbraw/zinc/82/02/60/555820260.db2.gz FQPDIZJSESHZDS-OAQYLSRUSA-N 1 0 471.601 4.707 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccc(OC)c2)C(=O)N3CCC(C)C)cc1 ZINC000014532956 555820936 /nfs/dbraw/zinc/82/09/36/555820936.db2.gz IIECSORTBAFVPX-UHFFFAOYSA-N 1 0 479.621 4.549 50 0 JJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2ccccc2C)CC3)cc1 ZINC000014532796 555821002 /nfs/dbraw/zinc/82/10/02/555821002.db2.gz JSAVXFBKWVCVHE-UHFFFAOYSA-N 1 0 463.622 4.501 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014534739 555823215 /nfs/dbraw/zinc/82/32/15/555823215.db2.gz FLWWFPYYMUZPNP-RRPNLBNLSA-N 1 0 499.630 4.750 50 0 JJAARO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014534528 555823371 /nfs/dbraw/zinc/82/33/71/555823371.db2.gz OQZCOURHYPFQOP-BJKOFHAPSA-N 1 0 461.581 4.972 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccccc3Cl)CC2)N1CCc1ccccc1 ZINC000014537358 555826679 /nfs/dbraw/zinc/82/66/79/555826679.db2.gz AYVVMJWPPJIOQC-UHFFFAOYSA-N 1 0 489.019 4.777 50 0 JJAARO CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2nc(-c4ccccc4)cs2)C3=O)CC1 ZINC000011791306 555827798 /nfs/dbraw/zinc/82/77/98/555827798.db2.gz BGLIBPKJPHVSIO-UHFFFAOYSA-N 1 0 474.630 4.774 50 0 JJAARO COc1ccccc1/C=C/C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014539563 555829366 /nfs/dbraw/zinc/82/93/66/555829366.db2.gz AWMBCVZHCZNKGQ-UKTHLTGXSA-N 1 0 496.611 4.603 50 0 JJAARO Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCC[NH+]3CCCCCC3)c12 ZINC000020579131 555833957 /nfs/dbraw/zinc/83/39/57/555833957.db2.gz FWBNTOXTODWJGY-UHFFFAOYSA-N 1 0 454.018 4.995 50 0 JJAARO COc1ccccc1-n1cc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)cn1 ZINC000014987948 555841887 /nfs/dbraw/zinc/84/18/87/555841887.db2.gz WBHWJVNKVJQJIY-OAQYLSRUSA-N 1 0 472.511 4.571 50 0 JJAARO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000015000877 555845461 /nfs/dbraw/zinc/84/54/61/555845461.db2.gz RETPKTUMUYWYRW-SFHVURJKSA-N 1 0 491.979 4.866 50 0 JJAARO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(Cl)cc3)C4=O)CC2)cc1C ZINC000015001447 555846128 /nfs/dbraw/zinc/84/61/28/555846128.db2.gz SPNDGHWMNCBKLH-UHFFFAOYSA-N 1 0 490.003 4.775 50 0 JJAARO CCC[C@@]1(C2CC[NH+](C[C@H](C)CCC=C(C)C)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000011913200 555862705 /nfs/dbraw/zinc/86/27/05/555862705.db2.gz OSSHIFXNQLXSIX-AMGIVPHBSA-N 1 0 454.659 4.809 50 0 JJAARO C[NH+](C)CCCn1c(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs/c1=N\c1ccccc1 ZINC000011914292 555864996 /nfs/dbraw/zinc/86/49/96/555864996.db2.gz JAPQGRUOTLHROT-RQZHXJHFSA-N 1 0 498.718 4.965 50 0 JJAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)N(C)Cc1cccc(F)c1)C(C)C ZINC000022043533 555865854 /nfs/dbraw/zinc/86/58/54/555865854.db2.gz OVUPRHBDHIUTPA-HXUWFJFHSA-N 1 0 498.668 4.794 50 0 JJAARO C/C(=C\c1ccccc1)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)CC1 ZINC000015068222 555868267 /nfs/dbraw/zinc/86/82/67/555868267.db2.gz PCDGJUJEGRNVTE-HEHNFIMWSA-N 1 0 469.560 4.847 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(F)c2F)C4)cs1 ZINC000015068511 555868488 /nfs/dbraw/zinc/86/84/88/555868488.db2.gz BKOOYECFSSWCEX-IUODEOHRSA-N 1 0 472.586 4.758 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(OC)c(OCc4ccccc4)c(OC)c3)cc2)CC1 ZINC000011951208 555869931 /nfs/dbraw/zinc/86/99/31/555869931.db2.gz NNGZAYUUMQWHAV-UHFFFAOYSA-N 1 0 475.589 4.677 50 0 JJAARO O=C([C@@H]1CC12CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2)N1CCN(c2ccccc2)CC1 ZINC000011963908 555870675 /nfs/dbraw/zinc/87/06/75/555870675.db2.gz FJUDRWSFTQPXOR-QHCPKHFHSA-N 1 0 457.540 4.656 50 0 JJAARO C[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000015071541 555870858 /nfs/dbraw/zinc/87/08/58/555870858.db2.gz QGADNIRAWRSIOO-GDLZYMKVSA-N 1 0 479.628 4.863 50 0 JJAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000015074132 555872051 /nfs/dbraw/zinc/87/20/51/555872051.db2.gz LYAZMPSHOXKQOO-SFHVURJKSA-N 1 0 451.954 4.950 50 0 JJAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N[C@H]4CCC[N@H+](Cc5ccccc5)C4)c3C3CC3)n2)o1 ZINC000011976891 555875781 /nfs/dbraw/zinc/87/57/81/555875781.db2.gz QVJADQQYDOUJKH-QFIPXVFZSA-N 1 0 482.588 4.503 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000011998100 555880637 /nfs/dbraw/zinc/88/06/37/555880637.db2.gz WLIROEOMGULCBW-RPWUZVMVSA-N 1 0 450.579 4.921 50 0 JJAARO CCOC(=O)N1CCC([NH2+]Cc2cc3ccc(F)cc3n(Cc3ccccc3Cl)c2=O)CC1 ZINC000012036151 555889131 /nfs/dbraw/zinc/88/91/31/555889131.db2.gz MNTBKTDDZWWBRF-UHFFFAOYSA-N 1 0 471.960 4.553 50 0 JJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000015276451 555891983 /nfs/dbraw/zinc/89/19/83/555891983.db2.gz RMEBLBDZRGUWLZ-XLIONFOSSA-N 1 0 458.484 4.836 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CCCn3ncc4ccccc43)CC2)cc1)N1CCc2ccccc2C1 ZINC000012047783 555895406 /nfs/dbraw/zinc/89/54/06/555895406.db2.gz DRHZBPNKKSPHRW-UHFFFAOYSA-N 1 0 493.655 4.884 50 0 JJAARO O=C(c1cccnc1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CN(C(=O)c2ccc4[nH]ccc4c2)CCO3)C1 ZINC000012078425 555902475 /nfs/dbraw/zinc/90/24/75/555902475.db2.gz KSWQTPZSJONFPM-RUZDIDTESA-N 1 0 494.595 4.693 50 0 JJAARO CN(C(=O)c1ccco1)[C@@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012131074 555911964 /nfs/dbraw/zinc/91/19/64/555911964.db2.gz UIFCZIOZDCQNCB-QHCPKHFHSA-N 1 0 482.527 4.882 50 0 JJAARO Cc1cccc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)n1 ZINC000012135702 555913348 /nfs/dbraw/zinc/91/33/48/555913348.db2.gz JSJJZQZWNSPKFQ-RUZDIDTESA-N 1 0 477.678 4.875 50 0 JJAARO Cn1c(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2cnc(-c4ccccc4)s2)CC3)nc2ccccc21 ZINC000012151392 555924219 /nfs/dbraw/zinc/92/42/19/555924219.db2.gz RSULDLIYOOSWTN-QFIPXVFZSA-N 1 0 485.657 4.658 50 0 JJAARO Cc1nc([C@@H](C)[NH2+]C2CCN(c3ccc(CC(=O)NCCc4cccc(F)c4)cc3)CC2)cs1 ZINC000012151802 555924952 /nfs/dbraw/zinc/92/49/52/555924952.db2.gz SBHSJTSNRASLCK-LJQANCHMSA-N 1 0 480.653 4.812 50 0 JJAARO COc1cccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3-c3cccc(OC)c3)CC2)c1 ZINC000012151849 555925122 /nfs/dbraw/zinc/92/51/22/555925122.db2.gz VKJYXISLVLCCBQ-VWLOTQADSA-N 1 0 494.661 4.935 50 0 JJAARO O=C(NC1CCCC1)c1cc2cc(C3(O)CC[NH+](Cc4cccn4-c4ccccn4)CC3)ccc2o1 ZINC000012152173 555925626 /nfs/dbraw/zinc/92/56/26/555925626.db2.gz KSQQVOKCXKUPPF-UHFFFAOYSA-N 1 0 484.600 4.775 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCCC1 ZINC000015675647 555934199 /nfs/dbraw/zinc/93/41/99/555934199.db2.gz CBERWZIDFXAEGN-MUUNZHRXSA-N 1 0 482.669 4.944 50 0 JJAARO C[N@H+](CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675683 555934212 /nfs/dbraw/zinc/93/42/12/555934212.db2.gz FYIFQUDRPCFCIL-MUUNZHRXSA-N 1 0 482.669 4.942 50 0 JJAARO Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCC([NH+]5CCCCC5)CC4)c3C3CC3)n2)c(C)s1 ZINC000012209802 555942663 /nfs/dbraw/zinc/94/26/63/555942663.db2.gz LKZQRYDISPBQOT-UHFFFAOYSA-N 1 0 490.677 4.976 50 0 JJAARO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1ccccc1F ZINC000012212694 555943728 /nfs/dbraw/zinc/94/37/28/555943728.db2.gz DQCLTVVRKKGRSG-UHFFFAOYSA-N 1 0 463.578 4.902 50 0 JJAARO COc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c2ccccc12 ZINC000012213184 555944036 /nfs/dbraw/zinc/94/40/36/555944036.db2.gz GPXULYVIRBOMHK-HSZRJFAPSA-N 1 0 487.604 4.608 50 0 JJAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CCc3nc(-c4ccccc4)cs3)CC2)cc1 ZINC000012243008 555946168 /nfs/dbraw/zinc/94/61/68/555946168.db2.gz PWJDDNPWODFDSN-UHFFFAOYSA-N 1 0 497.668 4.936 50 0 JJAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000015681877 555951173 /nfs/dbraw/zinc/95/11/73/555951173.db2.gz HRJOUQAFWGFFLX-UHFFFAOYSA-N 1 0 490.623 4.612 50 0 JJAARO COc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc(OC)c1 ZINC000015727084 555966250 /nfs/dbraw/zinc/96/62/50/555966250.db2.gz IENFUWAFRRPVJA-UHFFFAOYSA-N 1 0 454.958 4.571 50 0 JJAARO COc1ccc(OC)c(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)c1 ZINC000015727102 555966284 /nfs/dbraw/zinc/96/62/84/555966284.db2.gz IPVPVGCYIMEWHV-UHFFFAOYSA-N 1 0 454.958 4.571 50 0 JJAARO Cc1oc2nc(C)nc(N3CCCC3)c2c1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000015727829 555966679 /nfs/dbraw/zinc/96/66/79/555966679.db2.gz SLVPXROECIHPDS-UHFFFAOYSA-N 1 0 482.028 4.735 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000015732339 555976653 /nfs/dbraw/zinc/97/66/53/555976653.db2.gz ZZQUJPOQCVHOTA-NRFANRHFSA-N 1 0 492.689 4.925 50 0 JJAARO CCOc1ccccc1OCCOCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022942511 555993130 /nfs/dbraw/zinc/99/31/30/555993130.db2.gz XNMUEGFNJHDXNJ-UHFFFAOYSA-N 1 0 460.618 4.888 50 0 JJAARO CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CC[NH+](CC)CC3)c2c1C ZINC000012533636 556005457 /nfs/dbraw/zinc/00/54/57/556005457.db2.gz VEQQPKDYZDEUNZ-UHFFFAOYSA-N 1 0 456.637 4.611 50 0 JJAARO C[C@@H]1CCn2c3ccc(C(=O)NCC4CC[NH+](Cc5ccc(Cl)cc5)CC4)cc3nc2C1 ZINC000015786924 556006347 /nfs/dbraw/zinc/00/63/47/556006347.db2.gz DSJOYUCYQFLSID-GOSISDBHSA-N 1 0 451.014 4.914 50 0 JJAARO C[C@H](c1cccs1)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000023374597 556050219 /nfs/dbraw/zinc/05/02/19/556050219.db2.gz LQKHTNMLNAJDGU-HXUWFJFHSA-N 1 0 481.637 4.900 50 0 JJAARO C[NH+]1CCN(c2ccc(CNc3ncnc4scc(-c5ccc(Cl)cc5)c43)cn2)CC1 ZINC000023617825 556080278 /nfs/dbraw/zinc/08/02/78/556080278.db2.gz PNTOZCZSKCOULN-UHFFFAOYSA-N 1 0 450.999 4.771 50 0 JJAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000024651674 556143929 /nfs/dbraw/zinc/14/39/29/556143929.db2.gz WETDSRUXWISGNG-AREMUKBSSA-N 1 0 469.629 4.994 50 0 JJAARO COc1ccc([C@H](C[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)N2CCOCC2)cc1 ZINC000024754447 556150083 /nfs/dbraw/zinc/15/00/83/556150083.db2.gz KJAGPBUYBALXHR-SANMLTNESA-N 1 0 480.008 4.764 50 0 JJAARO COc1ccc(-c2c[nH]nc2-c2ccc(OCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2O)cc1 ZINC000024986861 556170096 /nfs/dbraw/zinc/17/00/96/556170096.db2.gz LQSCGRLGWZYUIY-UHFFFAOYSA-N 1 0 488.563 4.798 50 0 JJAARO COCCn1c(C)cc(O)c([C@@H](c2ccccc2OC)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993442 556197651 /nfs/dbraw/zinc/19/76/51/556197651.db2.gz AAMROIYUGUZSDB-MUUNZHRXSA-N 1 0 476.617 4.561 50 0 JJAARO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184479 556204064 /nfs/dbraw/zinc/20/40/64/556204064.db2.gz BEGNDCGQVPUYOS-IAPPQJPRSA-N 1 0 471.004 4.996 50 0 biogenic JJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000013017993 556209993 /nfs/dbraw/zinc/20/99/93/556209993.db2.gz FJHVUUYGADTJGE-UHFFFAOYSA-N 1 0 497.705 4.546 50 0 JJAARO COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000025357821 556210480 /nfs/dbraw/zinc/21/04/80/556210480.db2.gz CPJHCKZXPBCIQE-UHFFFAOYSA-N 1 0 467.654 4.992 50 0 JJAARO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)[C@H](C)Cc2cccs2)cc1 ZINC000013018607 556210550 /nfs/dbraw/zinc/21/05/50/556210550.db2.gz OAYFWBBZUXCTOV-HXUWFJFHSA-N 1 0 477.630 4.955 50 0 JJAARO Cc1cccc(C)c1N1CC[NH+](C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000026571205 556257004 /nfs/dbraw/zinc/25/70/04/556257004.db2.gz BDOBHVZIKMBDNF-QHCPKHFHSA-N 1 0 469.423 4.781 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2cccnc2SCc2c(C)noc2C)[NH+]2CCCC2)c1 ZINC000027343578 556276518 /nfs/dbraw/zinc/27/65/18/556276518.db2.gz WQMVHYXACWVYGT-QHCPKHFHSA-N 1 0 466.607 4.554 50 0 JJAARO COc1cccc([C@@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)[NH+]2CCCC2)c1 ZINC000027341508 556276587 /nfs/dbraw/zinc/27/65/87/556276587.db2.gz FOEXGLQIRYNLRX-JOCHJYFZSA-N 1 0 456.011 4.968 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)[NH+](C)C)cc1OC ZINC000013101480 556301720 /nfs/dbraw/zinc/30/17/20/556301720.db2.gz UTLSZGBUVQXUDQ-VWLOTQADSA-N 1 0 484.600 4.898 50 0 JJAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CCCc3c4cc(OCc5ccccc5)ccc4oc(=O)c32)C1 ZINC000013110932 556312030 /nfs/dbraw/zinc/31/20/30/556312030.db2.gz CEGAPRIZWVWVHJ-PMACEKPBSA-N 1 0 460.574 4.629 50 0 JJAARO CCn1c2ccccc2c2cc(C[N@H+]3CCc4nnc(CNC(=O)c5cc(C)oc5C)n4CC3)ccc21 ZINC000019228549 556336078 /nfs/dbraw/zinc/33/60/78/556336078.db2.gz PONJAOHKRJLNII-UHFFFAOYSA-N 1 0 496.615 4.604 50 0 JJAARO O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019355773 556344304 /nfs/dbraw/zinc/34/43/04/556344304.db2.gz IZDDHHNNBWUGAY-UHFFFAOYSA-N 1 0 488.661 4.543 50 0 JJAARO CC[NH+]1CCN(Cn2nc(-c3ccc(OC)cc3)n(-c3ccccc3C(C)C)c2=S)CC1 ZINC000019367602 556346116 /nfs/dbraw/zinc/34/61/16/556346116.db2.gz GWYFQAWBBAJGRE-UHFFFAOYSA-N 1 0 451.640 4.797 50 0 JJAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000013128301 556347066 /nfs/dbraw/zinc/34/70/66/556347066.db2.gz RWIMCLMDIUYLHP-UHFFFAOYSA-N 1 0 465.601 4.909 50 0 JJAARO O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000029939413 556360387 /nfs/dbraw/zinc/36/03/87/556360387.db2.gz DTYNPUUAJNLONK-AKNQKSQZSA-N 1 0 467.573 4.884 50 0 JJAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)NCCC1=CCCCC1 ZINC000019743537 556365595 /nfs/dbraw/zinc/36/55/95/556365595.db2.gz SQTDWZDZNNLQSK-AZGAKELHSA-N 1 0 474.089 4.650 50 0 JJAARO CCCO[C@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000019792404 556371028 /nfs/dbraw/zinc/37/10/28/556371028.db2.gz HQGCTEZAKVLLAW-MHZLTWQESA-N 1 0 450.623 4.804 50 0 JJAARO CCCO[C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000019792403 556371093 /nfs/dbraw/zinc/37/10/93/556371093.db2.gz HQGCTEZAKVLLAW-HHHXNRCGSA-N 1 0 450.623 4.804 50 0 JJAARO COc1ccc(Cl)cc1N1C(=O)c2ccccc2/C(=C/NC[C@@H](c2cccs2)[NH+](C)C)C1=O ZINC000019820045 556388869 /nfs/dbraw/zinc/38/88/69/556388869.db2.gz FXXGCUDXHXOTAF-PHJXOXRPSA-N 1 0 482.005 4.831 50 0 JJAARO COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000032622625 556452326 /nfs/dbraw/zinc/45/23/26/556452326.db2.gz XDICNVOHFBORAS-HHHXNRCGSA-N 1 0 498.579 4.878 50 0 JJAARO CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCC2)cc1 ZINC000032623124 556453080 /nfs/dbraw/zinc/45/30/80/556453080.db2.gz SSBQPVBBYKLQJA-HSZRJFAPSA-N 1 0 461.562 4.632 50 0 JJAARO Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000032721462 556474941 /nfs/dbraw/zinc/47/49/41/556474941.db2.gz HCFGOBGSMZIVRR-QFIPXVFZSA-N 1 0 478.618 4.697 50 0 JJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)c1 ZINC000032953193 556568472 /nfs/dbraw/zinc/56/84/72/556568472.db2.gz LKPIEZPSHSHKMT-UHFFFAOYSA-N 1 0 479.628 4.856 50 0 JJAARO O=C1c2cccc3cccc(c32)C(=O)N1CC1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000008687390 562953323 /nfs/dbraw/zinc/95/33/23/562953323.db2.gz TXPRPLRWADQUKQ-VWLOTQADSA-N 1 0 494.591 4.741 50 0 JJAARO O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057297049 569596133 /nfs/dbraw/zinc/59/61/33/569596133.db2.gz XSUOFURLSFYGQA-UHFFFAOYSA-N 1 0 473.602 4.692 50 0 JJAARO CCc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[NH+](CC)CC)nn3c2NC(C)(C)C)cc1 ZINC000064703715 569624511 /nfs/dbraw/zinc/62/45/11/569624511.db2.gz CFCPUSGUVNWSCI-UHFFFAOYSA-N 1 0 499.729 4.515 50 0 JJAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(O)c(OC)c4)c3NC3CCCCCC3)s2)CC1 ZINC000064746081 569625227 /nfs/dbraw/zinc/62/52/27/569625227.db2.gz UZBCYDBLXDAYKJ-UHFFFAOYSA-N 1 0 484.670 4.839 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746556 569625563 /nfs/dbraw/zinc/62/55/63/569625563.db2.gz BIQWAWDCPFDBEG-UHFFFAOYSA-N 1 0 459.594 4.511 50 0 JJAARO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000064816510 569633602 /nfs/dbraw/zinc/63/36/02/569633602.db2.gz GDTRRSUHHYWHLH-UHFFFAOYSA-N 1 0 490.648 4.833 50 0 JJAARO CC[N@H+](CCCNC(=O)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1)Cc1ccccc1 ZINC000064872983 569640765 /nfs/dbraw/zinc/64/07/65/569640765.db2.gz PHFGAKUEXAOBEW-UHFFFAOYSA-N 1 0 475.612 4.528 50 0 JJAARO O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccccc2)cc1)NCC[NH+]1CCCCC1 ZINC000034679961 569642808 /nfs/dbraw/zinc/64/28/08/569642808.db2.gz UBBMAUQDJZPWQV-UHFFFAOYSA-N 1 0 473.592 4.817 50 0 JJAARO Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000034679897 569642814 /nfs/dbraw/zinc/64/28/14/569642814.db2.gz LQIBKQVCLFHGES-UHFFFAOYSA-N 1 0 469.629 4.987 50 0 JJAARO O=C(Cc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000034681759 569643611 /nfs/dbraw/zinc/64/36/11/569643611.db2.gz FQMUEDPWYSTVMT-UHFFFAOYSA-N 1 0 468.523 4.994 50 0 JJAARO Cc1ccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@H](c3ccccc3)C2)cc1 ZINC000034697668 569647554 /nfs/dbraw/zinc/64/75/54/569647554.db2.gz BIBQDEBNNDMLLW-LSYYVWMOSA-N 1 0 457.593 4.812 50 0 JJAARO COc1ccc(C(=O)N2C[C@@H](C[NH+]3CCN(c4ccc(F)cc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000034697659 569647567 /nfs/dbraw/zinc/64/75/67/569647567.db2.gz XWPJUDQLQBSVMU-UFHPHHKVSA-N 1 0 473.592 4.512 50 0 JJAARO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034698021 569647689 /nfs/dbraw/zinc/64/76/89/569647689.db2.gz OXULMEOYRDHALJ-XUZZJYLKSA-N 1 0 460.540 4.985 50 0 JJAARO COc1cccc(C(=O)N2C[C@H](C[NH+]3CCN(c4ccccc4)CC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000034698411 569647793 /nfs/dbraw/zinc/64/77/93/569647793.db2.gz TXTJBSKVZDHKDV-RBJSKKJNSA-N 1 0 473.592 4.512 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4cccs4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698424 569647825 /nfs/dbraw/zinc/64/78/25/569647825.db2.gz XTJTWXAKSUYQSS-OFVILXPXSA-N 1 0 479.621 4.574 50 0 JJAARO COc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000034698410 569647833 /nfs/dbraw/zinc/64/78/33/569647833.db2.gz TXTJBSKVZDHKDV-YWEHKCAJSA-N 1 0 473.592 4.512 50 0 JJAARO C[C@H]1CN(c2nc3cc(Cl)ccc3c3nnc(-c4cccs4)n32)CCN1Cc1ccoc1 ZINC000034707911 569650047 /nfs/dbraw/zinc/65/00/47/569650047.db2.gz KBEAPCTWUXBWMB-HNNXBMFYSA-N 1 0 464.982 4.963 50 0 JJAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)o2)cc1 ZINC000065036832 569653603 /nfs/dbraw/zinc/65/36/03/569653603.db2.gz ILYKBYHXKYUNPR-UHFFFAOYSA-N 1 0 489.664 4.991 50 0 JJAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1OC ZINC000065060093 569655236 /nfs/dbraw/zinc/65/52/36/569655236.db2.gz MLLNRTSTMJHRSJ-UHFFFAOYSA-N 1 0 470.013 4.767 50 0 JJAARO Nc1c(NC(=O)N2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1Cl ZINC000034785065 569659281 /nfs/dbraw/zinc/65/92/81/569659281.db2.gz UCLWURQXAJVSKD-UHFFFAOYSA-N 1 0 465.001 4.867 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)CC(C)(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831332 569664209 /nfs/dbraw/zinc/66/42/09/569664209.db2.gz QPBBVRCXNKIHBP-UHFFFAOYSA-N 1 0 471.665 4.883 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)Cc3ccc(F)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831310 569664225 /nfs/dbraw/zinc/66/42/25/569664225.db2.gz MZCUISUOTXIBLJ-UHFFFAOYSA-N 1 0 495.618 4.581 50 0 JJAARO CCCCNC(=O)N(CCC(C)C)Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1 ZINC000034832208 569664485 /nfs/dbraw/zinc/66/44/85/569664485.db2.gz KQGMTIMKRPCHAR-UHFFFAOYSA-N 1 0 468.690 4.680 50 0 JJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)CCC1CCCC1 ZINC000034834359 569664753 /nfs/dbraw/zinc/66/47/53/569664753.db2.gz OXUZXYVFMIKUFM-UHFFFAOYSA-N 1 0 465.686 4.888 50 0 JJAARO COc1c(C)cc([C@@H]2CCc3nc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cn3C2)cc1C ZINC000034899225 569669821 /nfs/dbraw/zinc/66/98/21/569669821.db2.gz AUXHFAOCXVTJBF-HSZRJFAPSA-N 1 0 472.633 4.633 50 0 JJAARO COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NC3(CC[NH+](C(C)C)CC3)N2)cc1OC ZINC000065298582 569670826 /nfs/dbraw/zinc/67/08/26/569670826.db2.gz GLLABBRZVZEAGH-HXUWFJFHSA-N 1 0 458.002 4.787 50 0 biogenic JJAARO O=CN(C1CC[NH+](Cc2ccccc2)CC1)C1(C(=O)Nc2ccc3[nH]ccc3c2)CCCCC1 ZINC000035314002 569680377 /nfs/dbraw/zinc/68/03/77/569680377.db2.gz PSIXHUCDMMLXNN-UHFFFAOYSA-N 1 0 458.606 4.932 50 0 JJAARO COc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000035372862 569683337 /nfs/dbraw/zinc/68/33/37/569683337.db2.gz VHODZKNDSUZERR-UHFFFAOYSA-N 1 0 471.026 4.652 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1)Cc1ccccc1 ZINC000035398157 569688862 /nfs/dbraw/zinc/68/88/62/569688862.db2.gz MZOTZJVQUDQVLC-SANMLTNESA-N 1 0 471.649 4.697 50 0 JJAARO O=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035512328 569698453 /nfs/dbraw/zinc/69/84/53/569698453.db2.gz PUWGGGNXHLXBQN-UHFFFAOYSA-N 1 0 483.660 4.652 50 0 JJAARO Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(CC[NH+](C)C)C(=O)c2cccs2)c1 ZINC000085405122 569710246 /nfs/dbraw/zinc/71/02/46/569710246.db2.gz DGEXUWMBFRWOHO-UHFFFAOYSA-N 1 0 493.050 4.682 50 0 JJAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)C2CCC2)s1 ZINC000035808258 569711971 /nfs/dbraw/zinc/71/19/71/569711971.db2.gz LNTAGPJLMQOUFK-UHFFFAOYSA-N 1 0 485.669 4.839 50 0 JJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)C2CCCC2)o1 ZINC000035809329 569712306 /nfs/dbraw/zinc/71/23/06/569712306.db2.gz GBDWNKHFRGZFGW-UHFFFAOYSA-N 1 0 479.665 4.664 50 0 JJAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H](CCSC)[NH2+][C@]12C(=O)Nc1c2cccc1Cl ZINC000035828277 569712726 /nfs/dbraw/zinc/71/27/26/569712726.db2.gz RYEKETHKBNLDFV-OXDBHQQFSA-N 1 0 480.417 4.519 50 0 JJAARO COc1ccc(N2C[C@@](O)(c3ccc(Br)cc3)[N+]3=C2CCc2ccccc23)cc1 ZINC000089444221 569718264 /nfs/dbraw/zinc/71/82/64/569718264.db2.gz VPZMDKVEHYMZGJ-XMMPIXPASA-N 1 0 450.356 4.812 50 0 JJAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC([NH+]6CCCCC6)CC5)C4=O)cc3)sc2c1 ZINC000095483060 569725038 /nfs/dbraw/zinc/72/50/38/569725038.db2.gz GLPAQLSXOCDVQI-XMMPIXPASA-N 1 0 488.657 4.854 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)Cc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000095548385 569727437 /nfs/dbraw/zinc/72/74/37/569727437.db2.gz LCGRMVSERXJXSR-UHFFFAOYSA-N 1 0 473.665 4.550 50 0 JJAARO CCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 ZINC000096211037 569738196 /nfs/dbraw/zinc/73/81/96/569738196.db2.gz RDEHFUGJDDWVLU-UHFFFAOYSA-N 1 0 493.677 4.632 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313043 569760662 /nfs/dbraw/zinc/76/06/62/569760662.db2.gz IUHXWYFULOXPRA-HSZRJFAPSA-N 1 0 465.594 4.715 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)CC1CC1 ZINC000036313042 569760665 /nfs/dbraw/zinc/76/06/65/569760665.db2.gz IUHXWYFULOXPRA-QHCPKHFHSA-N 1 0 465.594 4.715 50 0 JJAARO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036313832 569761197 /nfs/dbraw/zinc/76/11/97/569761197.db2.gz JZLDXXRAIQEOEP-QHCPKHFHSA-N 1 0 485.600 4.645 50 0 JJAARO CCCC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313943 569761536 /nfs/dbraw/zinc/76/15/36/569761536.db2.gz YYCLNHPXEHMKHG-QFIPXVFZSA-N 1 0 467.610 4.888 50 0 JJAARO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036313961 569761548 /nfs/dbraw/zinc/76/15/48/569761548.db2.gz MZRPBXXRJOLCOJ-XMMPIXPASA-N 1 0 481.637 4.814 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)COCC ZINC000036346672 569770634 /nfs/dbraw/zinc/77/06/34/569770634.db2.gz QKTSHMOZZUXPFN-JOCHJYFZSA-N 1 0 459.537 4.861 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)COCC ZINC000036346765 569770833 /nfs/dbraw/zinc/77/08/33/569770833.db2.gz FGXFKHKIMRDNLO-QFIPXVFZSA-N 1 0 459.537 4.861 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)[NH+]2CCCC2)c1 ZINC000036674184 569779916 /nfs/dbraw/zinc/77/99/16/569779916.db2.gz PZPAGXCEKODFHC-RUZDIDTESA-N 1 0 490.600 4.858 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCC[N@@H+]1CCCC[C@@H]1C)C3=O ZINC000037006480 569780977 /nfs/dbraw/zinc/78/09/77/569780977.db2.gz PYLGGNNNURAQMJ-LGGPFLRQSA-N 1 0 494.680 4.578 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCC1)N(CCC[N@@H+]1CCCC[C@H]1C)C3=O ZINC000037006478 569781011 /nfs/dbraw/zinc/78/10/11/569781011.db2.gz PYLGGNNNURAQMJ-PBBNMVCDSA-N 1 0 494.680 4.578 50 0 JJAARO CCC[C@@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccccc2F)nc2cc(C)c(C)cc21 ZINC000037397884 569786898 /nfs/dbraw/zinc/78/68/98/569786898.db2.gz MGPRJPQXIWKOSH-DEOSSOPVSA-N 1 0 450.602 4.936 50 0 JJAARO COc1cccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000037570705 569795920 /nfs/dbraw/zinc/79/59/20/569795920.db2.gz NIUWCPLLGISXJY-UHFFFAOYSA-N 1 0 454.567 4.694 50 0 JJAARO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037587465 569796741 /nfs/dbraw/zinc/79/67/41/569796741.db2.gz UQONCJHLYQVPGB-UHFFFAOYSA-N 1 0 464.587 4.584 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)CC1 ZINC000039995537 569813386 /nfs/dbraw/zinc/81/33/86/569813386.db2.gz JNMMCKMRMILIFO-IRLDBZIGSA-N 1 0 454.640 4.581 50 0 JJAARO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000040149611 569819131 /nfs/dbraw/zinc/81/91/31/569819131.db2.gz JCYNDXWYQXBITL-INIZCTEOSA-N 1 0 481.394 4.675 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCCC2)C1 ZINC000103722959 569837461 /nfs/dbraw/zinc/83/74/61/569837461.db2.gz VCEBYYHMPKPPLO-UETOGOEVSA-N 1 0 478.681 4.673 50 0 JJAARO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC23CCCCC3)cc1 ZINC000104796285 569846364 /nfs/dbraw/zinc/84/63/64/569846364.db2.gz HTTKUAUQGQVBGE-GIFXNVAJSA-N 1 0 484.754 4.631 50 0 JJAARO CCOc1ccc(CN(Cc2nc(C(=O)NC[C@@H]3CCCO3)co2)[C@H](C)c2ccccc2)cc1 ZINC000104960883 569847775 /nfs/dbraw/zinc/84/77/75/569847775.db2.gz JKVMDQRQWYXJBP-YKSBVNFPSA-N 1 0 463.578 4.746 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983052 569848061 /nfs/dbraw/zinc/84/80/61/569848061.db2.gz AGJKXWSYWWOTJH-ISKFKSNPSA-N 1 0 454.954 4.506 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983640 569848167 /nfs/dbraw/zinc/84/81/67/569848167.db2.gz CUZFNRYZTOZFNS-WOJBJXKFSA-N 1 0 497.394 4.832 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984050 569848391 /nfs/dbraw/zinc/84/83/91/569848391.db2.gz FCLDFVNKIDREPH-ISKFKSNPSA-N 1 0 454.954 4.506 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984393 569848444 /nfs/dbraw/zinc/84/84/44/569848444.db2.gz PBUHDAYBEHVKPZ-WOJBJXKFSA-N 1 0 451.394 4.775 50 0 JJAARO CC(C)[C@H]([NH2+]CC(=O)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000049574714 569848857 /nfs/dbraw/zinc/84/88/57/569848857.db2.gz QLIVVOVTXFWNCE-SQHAQQRYSA-N 1 0 486.678 4.830 50 0 JJAARO Cc1cccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003253 569849133 /nfs/dbraw/zinc/84/91/33/569849133.db2.gz XWOOFBOABZCMQQ-RSXGOPAZSA-N 1 0 493.648 4.955 50 0 JJAARO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868446 569853518 /nfs/dbraw/zinc/85/35/18/569853518.db2.gz RDHGANXPSWXRPB-RBUKOAKNSA-N 1 0 473.061 4.690 50 0 JJAARO CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000109047194 569860492 /nfs/dbraw/zinc/86/04/92/569860492.db2.gz AMTWGMKSVJXGJZ-GJZUVCINSA-N 1 0 491.657 4.809 50 0 JJAARO CC(C)CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677270 569868664 /nfs/dbraw/zinc/86/86/64/569868664.db2.gz VSMLTCWYMIJBLE-ZCYQVOJMSA-N 1 0 489.582 4.610 50 0 JJAARO COc1ccc(C2=NO[C@@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000169677620 569868833 /nfs/dbraw/zinc/86/88/33/569868833.db2.gz YKBSAKYVPVDQGO-XNMGPUDCSA-N 1 0 495.019 4.922 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169678649 569869165 /nfs/dbraw/zinc/86/91/65/569869165.db2.gz JNOZEOYPSPQZGZ-RSXGOPAZSA-N 1 0 479.546 4.885 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@@H+]5CCCC[C@@H]35)CO4)c2=O)cc1OC ZINC000229711447 570041081 /nfs/dbraw/zinc/04/10/81/570041081.db2.gz LCHPQVANSHXVPE-YKSBVNFPSA-N 1 0 490.600 4.894 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1cccc(F)c1)C2 ZINC000230129855 570045406 /nfs/dbraw/zinc/04/54/06/570045406.db2.gz ZUOSWMRSYAMCFH-BDYUSTAISA-N 1 0 494.010 4.667 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000245228547 570055537 /nfs/dbraw/zinc/05/55/37/570055537.db2.gz LBPCMQHXRCHVBN-FOVJLYNBSA-N 1 0 451.636 4.572 50 0 JJAARO CCOC(=O)C1=C(CN2CCC[C@@H](c3ccccc3)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245257911 570060832 /nfs/dbraw/zinc/06/08/32/570060832.db2.gz HMIFGEBAMWSFOP-GJZUVCINSA-N 1 0 477.605 4.525 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245261283 570060853 /nfs/dbraw/zinc/06/08/53/570060853.db2.gz AOHCRGBTPUFLDL-MTTGRASBSA-N 1 0 484.710 4.877 50 0 JJAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245281487 570062236 /nfs/dbraw/zinc/06/22/36/570062236.db2.gz ZVMZHNFDDRTYME-AZGAKELHSA-N 1 0 493.648 4.894 50 0 JJAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247499994 570068376 /nfs/dbraw/zinc/06/83/76/570068376.db2.gz PMTHPTRFZIRITQ-QFIPXVFZSA-N 1 0 456.565 4.736 50 0 JJAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000247746897 570069163 /nfs/dbraw/zinc/06/91/63/570069163.db2.gz REIKCLCKTQUTHI-RBBKRZOGSA-N 1 0 463.931 4.501 50 0 JJAARO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247853195 570070098 /nfs/dbraw/zinc/07/00/98/570070098.db2.gz JKMOOPZFMCSURT-QHCPKHFHSA-N 1 0 497.618 4.725 50 0 JJAARO COc1ccc(CC[NH2+]Cc2nn(Cc3ccccc3Cl)nc2-c2ccccc2)cc1OC ZINC000247900057 570071063 /nfs/dbraw/zinc/07/10/63/570071063.db2.gz FSTNXURDIYCCRN-UHFFFAOYSA-N 1 0 462.981 4.996 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NC4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247902523 570071084 /nfs/dbraw/zinc/07/10/84/570071084.db2.gz REWJJDSMFDYXOU-JOCHJYFZSA-N 1 0 460.622 4.754 50 0 JJAARO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247962549 570071677 /nfs/dbraw/zinc/07/16/77/570071677.db2.gz AGLFEHWQQAZKGK-QGZVFWFLSA-N 1 0 455.400 4.526 50 0 JJAARO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1)C(C)C ZINC000247980971 570072133 /nfs/dbraw/zinc/07/21/33/570072133.db2.gz HCYGREGGEBTPGV-HSZRJFAPSA-N 1 0 462.638 4.952 50 0 JJAARO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c1 ZINC000248017464 570072912 /nfs/dbraw/zinc/07/29/12/570072912.db2.gz TTXJJCYTYZOULJ-XMMPIXPASA-N 1 0 473.665 4.795 50 0 JJAARO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)N4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248079617 570073621 /nfs/dbraw/zinc/07/36/21/570073621.db2.gz CMIBTSDRLYJTPQ-FQUZAXHOSA-N 1 0 483.955 4.803 50 0 JJAARO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248163902 570075807 /nfs/dbraw/zinc/07/58/07/570075807.db2.gz NFQSQMGKUXEMMV-DEOSSOPVSA-N 1 0 473.665 4.740 50 0 JJAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248249479 570076787 /nfs/dbraw/zinc/07/67/87/570076787.db2.gz LKECGOVLBMCEOI-GOSISDBHSA-N 1 0 469.427 4.868 50 0 JJAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248277528 570077462 /nfs/dbraw/zinc/07/74/62/570077462.db2.gz ZFVYNTXHMMRZRZ-GOSISDBHSA-N 1 0 469.427 4.868 50 0 JJAARO CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CCN(c4ccc(C(C)C)cc4)CC3)C2)nc2ccccc21 ZINC000252079267 570079807 /nfs/dbraw/zinc/07/98/07/570079807.db2.gz FCRDFLOWIKUWIM-DEOSSOPVSA-N 1 0 473.665 4.740 50 0 JJAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000252478108 570081585 /nfs/dbraw/zinc/08/15/85/570081585.db2.gz ADURSMQYZUPIDA-UHFFFAOYSA-N 1 0 471.645 4.660 50 0 JJAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H]([NH2+]Cc1cccc2ccccc21)CC3 ZINC000299764125 570174987 /nfs/dbraw/zinc/17/49/87/570174987.db2.gz SWULNGQSIJNEBZ-FQEVSTJZSA-N 1 0 452.583 4.702 50 0 JJAARO C[C@H](NC(=O)c1ccc(N2CCC([NH2+]Cc3cn4ccccc4n3)CC2)cc1)c1ccccc1 ZINC000299788713 570176885 /nfs/dbraw/zinc/17/68/85/570176885.db2.gz ZRCRYKVMSTUPLA-NRFANRHFSA-N 1 0 453.590 4.584 50 0 JJAARO COc1ccc2cc(C[NH2+]C[C@H]3COc4ccccc4O3)c(=O)n(Cc3ccccc3Cl)c2c1 ZINC000299792097 570176919 /nfs/dbraw/zinc/17/69/19/570176919.db2.gz FGFLPLZMLSXQAG-QFIPXVFZSA-N 1 0 476.960 4.641 50 0 JJAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]C[C@H](c3ccc(F)cc3)N3CCCC3)CC2)cc1 ZINC000299795127 570177157 /nfs/dbraw/zinc/17/71/57/570177157.db2.gz LIHWZAIWKJSWQE-MUUNZHRXSA-N 1 0 478.656 4.894 50 0 JJAARO COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CC[NH+]2CCCC2)cc1 ZINC000001242882 194078819 /nfs/dbraw/zinc/07/88/19/194078819.db2.gz VGCRRIBTJRGXCU-JOCHJYFZSA-N 1 0 456.384 4.621 50 0 JJAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1ccc(OC)c(Cn2nc(C)c(Cl)c2C)c1 ZINC000001294265 194081826 /nfs/dbraw/zinc/08/18/26/194081826.db2.gz IDTCDVWPZBGULV-DEOSSOPVSA-N 1 0 450.970 4.935 50 0 biogenic JJAARO O[C@@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000001909243 194154999 /nfs/dbraw/zinc/15/49/99/194154999.db2.gz QPLVVMDBCXGBJJ-HXUWFJFHSA-N 1 0 465.209 4.862 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003042537 194215718 /nfs/dbraw/zinc/21/57/18/194215718.db2.gz SRIGTQMTIFLEKC-UHFFFAOYSA-N 1 0 451.998 4.699 50 0 JJAARO CCOC(=O)c1c2cc(OC[C@H](O)C[NH2+]Cc3ccc4c(c3)OCO4)ccc2oc1-c1ccccc1 ZINC000003264841 194256280 /nfs/dbraw/zinc/25/62/80/194256280.db2.gz ISNLHWMBQVWFEU-HXUWFJFHSA-N 1 0 489.524 4.535 50 0 JJAARO CC(C)[N@H+](C[C@H](O)COCc1ccccc1Cl)C[C@H](O)COc1cccc2ccccc21 ZINC000003407068 194314100 /nfs/dbraw/zinc/31/41/00/194314100.db2.gz DQYQYRAEMPPNHJ-GOTSBHOMSA-N 1 0 457.998 4.521 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]Cc3ccco3)cc21 ZINC000003628253 194343322 /nfs/dbraw/zinc/34/33/22/194343322.db2.gz WXRDFYKOHODQLI-OAQYLSRUSA-N 1 0 462.546 4.547 50 0 JJAARO CCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc(OCC)c1OCC ZINC000003552999 194337281 /nfs/dbraw/zinc/33/72/81/194337281.db2.gz HHUGKWBUXNMQEL-UHFFFAOYSA-N 1 0 461.990 4.540 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]CCc3ccccc3)cc21 ZINC000003635845 194345488 /nfs/dbraw/zinc/34/54/88/194345488.db2.gz NFYWDHWHSCOMRN-VWLOTQADSA-N 1 0 486.612 4.996 50 0 JJAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000004757270 194394820 /nfs/dbraw/zinc/39/48/20/194394820.db2.gz PNBGFSAKWIEBAY-VPUSJEBWSA-N 1 0 483.628 4.947 50 0 JJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757253 194394839 /nfs/dbraw/zinc/39/48/39/194394839.db2.gz NYXUZXLYMOPKAI-AHKZPQOWSA-N 1 0 481.612 4.557 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000009115544 194535053 /nfs/dbraw/zinc/53/50/53/194535053.db2.gz MFYQOZNRIOKVMD-HKBQPEDESA-N 1 0 456.995 4.635 50 0 JJAARO COc1ccc([S@@](=O)Cc2ccc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)o2)cc1 ZINC000009115735 194535695 /nfs/dbraw/zinc/53/56/95/194535695.db2.gz CCINWZJMOWJCFX-MGBGTMOVSA-N 1 0 468.619 4.627 50 0 JJAARO CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289321 194665231 /nfs/dbraw/zinc/66/52/31/194665231.db2.gz ZGYBONLZZLLUEJ-UYAOXDASSA-N 1 0 454.640 4.642 50 0 JJAARO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009386181 194731971 /nfs/dbraw/zinc/73/19/71/194731971.db2.gz IFBMKWCFXQTDTE-UHFFFAOYSA-N 1 0 496.611 4.951 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)CSc3cc(=O)n(C)c4cc(Cl)ccc34)CC2)c1 ZINC000009692093 194895060 /nfs/dbraw/zinc/89/50/60/194895060.db2.gz IZHBWAZEYFXWHI-UHFFFAOYSA-N 1 0 484.065 4.621 50 0 JJAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776610 194954647 /nfs/dbraw/zinc/95/46/47/194954647.db2.gz ZUCHEXKCDLMRBF-XTEPFMGCSA-N 1 0 493.648 4.570 50 0 JJAARO COc1ccc(CC[NH2+]C[C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1OC ZINC000009835500 194986694 /nfs/dbraw/zinc/98/66/94/194986694.db2.gz KGBAGMMEYDMGKD-BVAGGSTKSA-N 1 0 480.992 4.661 50 0 JJAARO CC(=O)Nc1ccc(S(=O)(=O)N2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000009933463 195025216 /nfs/dbraw/zinc/02/52/16/195025216.db2.gz RMJWXOJJPWSIQL-UHFFFAOYSA-N 1 0 491.657 4.543 50 0 JJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000009907998 195018667 /nfs/dbraw/zinc/01/86/67/195018667.db2.gz HQTNXWRGUHQTEH-UHFFFAOYSA-N 1 0 467.953 4.781 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000009908030 195018904 /nfs/dbraw/zinc/01/89/04/195018904.db2.gz TZQVTYAZUCEUSA-UHFFFAOYSA-N 1 0 487.600 4.837 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)[NH+]2CCCC2)cc1 ZINC000012693217 195089164 /nfs/dbraw/zinc/08/91/64/195089164.db2.gz HUZHGTPPMAIBLS-HSZRJFAPSA-N 1 0 467.013 4.777 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1)[NH+]1CCCC1 ZINC000012755826 195108430 /nfs/dbraw/zinc/10/84/30/195108430.db2.gz PHURCQBUONDQAU-XMMPIXPASA-N 1 0 460.574 4.850 50 0 JJAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012758109 195109591 /nfs/dbraw/zinc/10/95/91/195109591.db2.gz FCEIJWWCNGFIRO-HSZRJFAPSA-N 1 0 474.432 4.799 50 0 JJAARO CC[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000012768567 195115878 /nfs/dbraw/zinc/11/58/78/195115878.db2.gz IFFNTXTXJWHUIH-UHFFFAOYSA-N 1 0 474.561 4.727 50 0 JJAARO CC(C)C[N@@H+]1CCO[C@H](CSc2nnc(-c3c[nH]c4ccccc43)n2Cc2ccco2)C1 ZINC000012772987 195119032 /nfs/dbraw/zinc/11/90/32/195119032.db2.gz OELOUXSZYWPKDL-IBGZPJMESA-N 1 0 451.596 4.517 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(Br)c(Br)s1 ZINC000012798416 195137902 /nfs/dbraw/zinc/13/79/02/195137902.db2.gz XXYTXBRNLOWCFR-UHFFFAOYSA-N 1 0 458.219 4.668 50 0 JJAARO c1nn(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)c2ccccc12 ZINC000012837050 195151441 /nfs/dbraw/zinc/15/14/41/195151441.db2.gz YUVTZSPKMLPWSU-UHFFFAOYSA-N 1 0 451.530 4.798 50 0 JJAARO C[NH+](C)Cc1ccccc1CNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000012850425 195154399 /nfs/dbraw/zinc/15/43/99/195154399.db2.gz ZLBAJKCAWQPXMK-UHFFFAOYSA-N 1 0 479.675 4.926 50 0 JJAARO Cc1cc(=O)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)nn1-c1cccc(C(F)(F)F)c1 ZINC000012882793 195169488 /nfs/dbraw/zinc/16/94/88/195169488.db2.gz ZMCLAKRFLJWBKS-KOSHJBKYSA-N 1 0 484.522 4.515 50 0 JJAARO CCOc1ccccc1CN1C(=O)c2ccccc2[C@H]1C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000020686923 195205281 /nfs/dbraw/zinc/20/52/81/195205281.db2.gz OGFUFAPTRXGLBA-UZINWLIJSA-N 1 0 463.622 4.552 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)C1 ZINC000020726769 195207907 /nfs/dbraw/zinc/20/79/07/195207907.db2.gz OFVOCCGLUVDJGB-ZRRUGVMFSA-N 1 0 463.647 4.651 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726743 195207910 /nfs/dbraw/zinc/20/79/10/195207910.db2.gz KZNVGKWUGYXXMO-AEPTXUNZSA-N 1 0 463.647 4.937 50 0 JJAARO CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000020760647 195217562 /nfs/dbraw/zinc/21/75/62/195217562.db2.gz AGSPESAVLFIMPT-UHFFFAOYSA-N 1 0 451.611 4.507 50 0 JJAARO O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000020761960 195218196 /nfs/dbraw/zinc/21/81/96/195218196.db2.gz KRFGUNIQTUFOKB-WUFINQPMSA-N 1 0 473.661 4.515 50 0 biogenic JJAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CO4)c(OC)c1 ZINC000020763405 195219519 /nfs/dbraw/zinc/21/95/19/195219519.db2.gz LVPHRICAQHKGBX-NBGIEHNGSA-N 1 0 490.600 4.894 50 0 biogenic JJAARO C[N@H+](CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000020902841 195241994 /nfs/dbraw/zinc/24/19/94/195241994.db2.gz PKOJSLXHXFNGRH-PMERELPUSA-N 1 0 486.660 4.827 50 0 JJAARO C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCC[N@@H+]1CCc2ccccc2C1 ZINC000020902863 195242356 /nfs/dbraw/zinc/24/23/56/195242356.db2.gz UJBQSKCMONZCDY-WJOKGBTCSA-N 1 0 498.671 4.753 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903400 195243353 /nfs/dbraw/zinc/24/33/53/195243353.db2.gz NSWDAWOPDCJTMJ-NDEPHWFRSA-N 1 0 466.670 4.817 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000020904349 195244277 /nfs/dbraw/zinc/24/42/77/195244277.db2.gz FOCFZJIGBFDPMI-SXOMAYOGSA-N 1 0 487.669 4.859 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000020904439 195244580 /nfs/dbraw/zinc/24/45/80/195244580.db2.gz AVHTWHIWIGFGDG-ZEQRLZLVSA-N 1 0 453.652 4.677 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000020904442 195244585 /nfs/dbraw/zinc/24/45/85/195244585.db2.gz AVHTWHIWIGFGDG-DNQXCXABSA-N 1 0 453.652 4.677 50 0 JJAARO Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3C3CC[NH2+]CC3)CC2)c1C ZINC000020941239 195255567 /nfs/dbraw/zinc/25/55/67/195255567.db2.gz UIZQVKGWMTXVMO-UHFFFAOYSA-N 1 0 478.040 4.572 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](Cc3cccc(F)c3)CC2)c2ccccc2c1=O ZINC000020941560 195255894 /nfs/dbraw/zinc/25/58/94/195255894.db2.gz XRAKBSGNUREHMR-UHFFFAOYSA-N 1 0 464.585 4.830 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000020927863 195249546 /nfs/dbraw/zinc/24/95/46/195249546.db2.gz CCULZWAKSXRYGP-GOSISDBHSA-N 1 0 471.001 4.648 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021364823 195299818 /nfs/dbraw/zinc/29/98/18/195299818.db2.gz ZELVVVJQCZCSFK-MUUNZHRXSA-N 1 0 482.669 4.924 50 0 JJAARO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000021367937 195300115 /nfs/dbraw/zinc/30/01/15/195300115.db2.gz PSFGQFXWDLOIRE-IBGZPJMESA-N 1 0 467.953 4.561 50 0 JJAARO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C ZINC000021475830 195302429 /nfs/dbraw/zinc/30/24/29/195302429.db2.gz ULBMFCHDEDWOIV-LJQANCHMSA-N 1 0 476.461 4.903 50 0 JJAARO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1 ZINC000021525860 195304616 /nfs/dbraw/zinc/30/46/16/195304616.db2.gz ANWTWBQIJBIFOT-UHFFFAOYSA-N 1 0 483.616 4.590 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1)C1CCCCC1 ZINC000021526710 195305205 /nfs/dbraw/zinc/30/52/05/195305205.db2.gz LDQYQRSSPKCHRS-NDEPHWFRSA-N 1 0 482.669 4.942 50 0 JJAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934115 195335820 /nfs/dbraw/zinc/33/58/20/195335820.db2.gz IXTMNAMGJCSVJE-UHFFFAOYSA-N 1 0 486.019 4.892 50 0 JJAARO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611536 195353550 /nfs/dbraw/zinc/35/35/50/195353550.db2.gz ALAJCMSTJNXVPA-NLFFAJNJSA-N 1 0 462.638 4.997 50 0 JJAARO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(CC(C)C)cc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000057611535 195353567 /nfs/dbraw/zinc/35/35/67/195353567.db2.gz ALAJCMSTJNXVPA-NBGIEHNGSA-N 1 0 462.638 4.997 50 0 JJAARO O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058174790 195371664 /nfs/dbraw/zinc/37/16/64/195371664.db2.gz MPZSKVIYFBLCHD-UHFFFAOYSA-N 1 0 454.659 4.500 50 0 JJAARO CC[NH+](CC)CCOc1cc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)ccc1OC ZINC000058310063 195377081 /nfs/dbraw/zinc/37/70/81/195377081.db2.gz HVBPFCAJRBAZFF-UHFFFAOYSA-N 1 0 472.973 4.691 50 0 JJAARO COc1ccccc1O[C@@H](CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 ZINC000096281671 130028496 /nfs/dbraw/zinc/02/84/96/130028496.db2.gz LCVUYTWCEYBMGK-DEOSSOPVSA-N 1 0 478.564 4.891 50 0 JJAARO Brc1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000016523828 518207443 /nfs/dbraw/zinc/20/74/43/518207443.db2.gz GUONVHVGXBZHGQ-UHFFFAOYSA-N 1 0 470.396 4.957 50 0 JJAARO CC(C)CC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCc1ccccc1 ZINC000036149206 519652716 /nfs/dbraw/zinc/65/27/16/519652716.db2.gz FKTVRACDRXTYPP-AREMUKBSSA-N 1 0 493.648 4.604 50 0 JJAARO CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021858779 519661570 /nfs/dbraw/zinc/66/15/70/519661570.db2.gz JMFXMXFRWQOVBE-PMERELPUSA-N 1 0 486.660 4.683 50 0 JJAARO CC(C)C[NH+](CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)CC(C)C ZINC000009731670 519717281 /nfs/dbraw/zinc/71/72/81/519717281.db2.gz NXZWWNHQHFYEOD-UHFFFAOYSA-N 1 0 489.465 4.904 50 0 JJAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccco1 ZINC000036149179 519717971 /nfs/dbraw/zinc/71/79/71/519717971.db2.gz UFFDCPSPFKPSSE-QFIPXVFZSA-N 1 0 453.583 4.571 50 0 JJAARO CC(C)c1ccc(C[NH2+]Cc2cc(NS(C)(=O)=O)cc(C(=O)Nc3ccccc3)c2)cc1 ZINC000012457061 519836359 /nfs/dbraw/zinc/83/63/59/519836359.db2.gz CMWAKWLZTGZYEW-UHFFFAOYSA-N 1 0 451.592 4.724 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000036306895 519881430 /nfs/dbraw/zinc/88/14/30/519881430.db2.gz VGWAAPUJLMGHSN-JOCHJYFZSA-N 1 0 495.595 4.935 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307355 520091291 /nfs/dbraw/zinc/09/12/91/520091291.db2.gz XKHAFMFFBDUQOW-QFIPXVFZSA-N 1 0 453.558 4.628 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036304292 520094767 /nfs/dbraw/zinc/09/47/67/520094767.db2.gz FGXWTJJYGOUOOT-QFIPXVFZSA-N 1 0 471.548 4.861 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305017 520154050 /nfs/dbraw/zinc/15/40/50/520154050.db2.gz KSNQSFBPUKPBQQ-HXUWFJFHSA-N 1 0 455.986 4.895 50 0 JJAARO CC[NH+](CC)CCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000065006314 520611905 /nfs/dbraw/zinc/61/19/05/520611905.db2.gz ZSAVBZKNSAUHNZ-UHFFFAOYSA-N 1 0 470.683 4.517 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115994 520616061 /nfs/dbraw/zinc/61/60/61/520616061.db2.gz SCMKKIGOEIIXPL-NRFANRHFSA-N 1 0 490.648 4.831 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000002300044 520619595 /nfs/dbraw/zinc/61/95/95/520619595.db2.gz CQXQWVPQGZEITP-OCCSQVGLSA-N 1 0 463.957 4.720 50 0 JJAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F ZINC000022569237 520638594 /nfs/dbraw/zinc/63/85/94/520638594.db2.gz KNLQUAJWKRYFTQ-ROUUACIJSA-N 1 0 461.586 4.525 50 0 JJAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(I)c1OCc1ccccc1Cl ZINC000016382336 520707282 /nfs/dbraw/zinc/70/72/82/520707282.db2.gz FWUOZVBZJCGUNU-UHFFFAOYSA-N 1 0 489.781 4.783 50 0 JJAARO CCOC(=O)N1CCC([NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)CC1 ZINC000014953057 520923294 /nfs/dbraw/zinc/92/32/94/520923294.db2.gz LPFKPDGFWNMNQD-XMMPIXPASA-N 1 0 483.678 4.764 50 0 JJAARO CCOC(=O)N1CCN(c2nc3cc4c(cc3cc2C[NH2+]CCc2c[nH]c3ccccc23)CCC4)CC1 ZINC000014985756 520962174 /nfs/dbraw/zinc/96/21/74/520962174.db2.gz QMPQSOPXSQIHNY-UHFFFAOYSA-N 1 0 497.643 4.816 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035082 521086462 /nfs/dbraw/zinc/08/64/62/521086462.db2.gz UCBLWCMZLJODLA-DEOSSOPVSA-N 1 0 480.653 4.959 50 0 JJAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(Br)s3)sc2c1 ZINC000009151863 521299122 /nfs/dbraw/zinc/29/91/22/521299122.db2.gz MPBNESWSNHRHRX-UHFFFAOYSA-N 1 0 454.415 4.727 50 0 JJAARO CCOc1ccccc1C[NH+]1CCC([C@@H](Cc2ccccc2)N(C)C(=O)c2cc(C)nn2C)CC1 ZINC000014987556 521481581 /nfs/dbraw/zinc/48/15/81/521481581.db2.gz OVXCRYCKYREKLF-AREMUKBSSA-N 1 0 474.649 4.723 50 0 JJAARO CCC(CC)[NH+]1CCN(c2ccc3nc(C(=O)NCc4ccc(Cl)cc4)ccc3n2)CC1 ZINC000021880478 521564492 /nfs/dbraw/zinc/56/44/92/521564492.db2.gz DFLGFXRTCQGPPX-UHFFFAOYSA-N 1 0 452.002 4.524 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036249856 521679684 /nfs/dbraw/zinc/67/96/84/521679684.db2.gz KEVKTXGSNIFCST-QHCPKHFHSA-N 1 0 479.621 4.992 50 0 JJAARO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268832 521684393 /nfs/dbraw/zinc/68/43/93/521684393.db2.gz VPJPFAIPQDFSNU-UHFFFAOYSA-N 1 0 467.566 4.992 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccccc3OC)c(C)nn2-c2ccccc2)CC1 ZINC000034829548 521696232 /nfs/dbraw/zinc/69/62/32/521696232.db2.gz JHLDCQWLYOVBEB-UHFFFAOYSA-N 1 0 489.664 4.630 50 0 JJAARO C[NH+](C)CCNC=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022788194 521787288 /nfs/dbraw/zinc/78/72/88/521787288.db2.gz ZUGMTXDCVONBCH-UHFFFAOYSA-N 1 0 490.218 4.913 50 0 JJAARO COC(=O)c1sc2nc(C[N@H+](C)CCOc3ccc(C)cc3)ccc2c1NC(=O)C1CCC1 ZINC000014977094 522432750 /nfs/dbraw/zinc/43/27/50/522432750.db2.gz CXWMUQGKJVBEEZ-UHFFFAOYSA-N 1 0 467.591 4.641 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021810706 522745106 /nfs/dbraw/zinc/74/51/06/522745106.db2.gz JTPZQKXLOULWKA-MHZLTWQESA-N 1 0 468.642 4.552 50 0 JJAARO COCc1ccc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)o1 ZINC000012244227 522960187 /nfs/dbraw/zinc/96/01/87/522960187.db2.gz UIJARWJGDONLCU-DEOSSOPVSA-N 1 0 493.652 4.716 50 0 JJAARO CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccccc4)CC3)ccc2o1 ZINC000014995243 522961584 /nfs/dbraw/zinc/96/15/84/522961584.db2.gz BOMCJSBTZKDMFN-UHFFFAOYSA-N 1 0 469.585 4.626 50 0 JJAARO CC[C@@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1 ZINC000036309678 522990101 /nfs/dbraw/zinc/99/01/01/522990101.db2.gz IYPMEVAZYMZVCI-OFNKIYASSA-N 1 0 462.631 4.511 50 0 JJAARO CC[C@@H](O)C[N@H+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C ZINC000036310124 522990240 /nfs/dbraw/zinc/99/02/40/522990240.db2.gz YLXDLMZVCJHGDX-VWNXMTODSA-N 1 0 472.695 4.989 50 0 JJAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](C[C@@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000033377017 523042802 /nfs/dbraw/zinc/04/28/02/523042802.db2.gz FGXCTOGPMWLOIZ-NLFFAJNJSA-N 1 0 474.022 4.944 50 0 JJAARO COc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)Cc4ccccc4)nc(=O)c23)cc1 ZINC000036206270 523172713 /nfs/dbraw/zinc/17/27/13/523172713.db2.gz PQAVMHNMGWIILN-OAQYLSRUSA-N 1 0 477.630 4.722 50 0 JJAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014733549 523718302 /nfs/dbraw/zinc/71/83/02/523718302.db2.gz KRUUNDGBYKMXFA-UHFFFAOYSA-N 1 0 470.598 4.878 50 0 JJAARO COc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]Cc4cn5c(cccc5C)n4)CC3)cc2)cc1 ZINC000014989697 523752084 /nfs/dbraw/zinc/75/20/84/523752084.db2.gz ALNGCSFKHCYQFQ-UHFFFAOYSA-N 1 0 469.589 4.662 50 0 JJAARO CN1CC[NH+](CCCNc2nc(CSc3ccccc3)nc3sc4c(c32)CCC4)CC1 ZINC000022810709 523899251 /nfs/dbraw/zinc/89/92/51/523899251.db2.gz HZEKLXKPSMNQBZ-UHFFFAOYSA-N 1 0 453.681 4.522 50 0 JJAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)o1 ZINC000014958640 523929350 /nfs/dbraw/zinc/92/93/50/523929350.db2.gz OXXHSNUIGFOIFI-XMMPIXPASA-N 1 0 463.626 4.626 50 0 JJAARO CCc1ccc(Oc2cc(N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)ncn2)cc1 ZINC000033311934 524009416 /nfs/dbraw/zinc/00/94/16/524009416.db2.gz BCJXWLCSHMGJQT-UHFFFAOYSA-N 1 0 477.653 4.525 50 0 JJAARO CN(C(=O)C[NH+](C)C)[C@@H](Cc1ccc(F)cc1)C1CCN(C(=O)c2cccc(-c3ccco3)c2)CC1 ZINC000012457046 524042084 /nfs/dbraw/zinc/04/20/84/524042084.db2.gz BFEPMLXPXNKCQS-SANMLTNESA-N 1 0 491.607 4.569 50 0 JJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)c1 ZINC000008610259 524126244 /nfs/dbraw/zinc/12/62/44/524126244.db2.gz FGBQJXHRXVVQDB-UHFFFAOYSA-N 1 0 491.705 4.846 50 0 JJAARO C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@H+](C)Cc1ccccc1 ZINC000021811406 524140987 /nfs/dbraw/zinc/14/09/87/524140987.db2.gz WCLOMZOYASIYID-XZFDQLJLSA-N 1 0 490.648 4.666 50 0 JJAARO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000046125129 524181766 /nfs/dbraw/zinc/18/17/66/524181766.db2.gz IDQLWDOVMXWEKU-LJQANCHMSA-N 1 0 473.061 4.692 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000021880368 524348961 /nfs/dbraw/zinc/34/89/61/524348961.db2.gz DJJHPONXPZJUFC-UHFFFAOYSA-N 1 0 481.666 4.837 50 0 JJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757250 524388612 /nfs/dbraw/zinc/38/86/12/524388612.db2.gz WCXSSQGAMKXNHN-AHKZPQOWSA-N 1 0 481.612 4.701 50 0 JJAARO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccco2)s1 ZINC000033567028 524416641 /nfs/dbraw/zinc/41/66/41/524416641.db2.gz HXBWYIPHHIHLOV-UHFFFAOYSA-N 1 0 483.609 4.556 50 0 JJAARO Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCC[NH+]4CCCCC4)cc32)cc1 ZINC000020385922 524428080 /nfs/dbraw/zinc/42/80/80/524428080.db2.gz LCKFDDHZZBODPK-UHFFFAOYSA-N 1 0 452.624 4.631 50 0 JJAARO Cc1cc(C)cc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000036061493 524456663 /nfs/dbraw/zinc/45/66/63/524456663.db2.gz VKYAVCZCRDTDGM-UHFFFAOYSA-N 1 0 497.599 4.677 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000033126139 524735692 /nfs/dbraw/zinc/73/56/92/524735692.db2.gz WKCBHYTXGUTOOH-QHCPKHFHSA-N 1 0 465.041 4.878 50 0 JJAARO COc1ccc(OC[C@@H](O)C[N@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249835 524969336 /nfs/dbraw/zinc/96/93/36/524969336.db2.gz AUJNWQSCQDPWFB-QHCPKHFHSA-N 1 0 477.605 4.745 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306086 524989800 /nfs/dbraw/zinc/98/98/00/524989800.db2.gz OLQSORCLUWDPCG-QFIPXVFZSA-N 1 0 467.610 4.884 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C3CC3)c(-c3ccccc3)nn2C)cc1 ZINC000036306185 524990495 /nfs/dbraw/zinc/99/04/95/524990495.db2.gz HMJPTALHVASQLD-JOCHJYFZSA-N 1 0 465.594 4.638 50 0 JJAARO C[C@]1(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000012281014 525239325 /nfs/dbraw/zinc/23/93/25/525239325.db2.gz HMLQRJOYGWIKIG-HSZRJFAPSA-N 1 0 463.475 4.567 50 0 JJAARO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000022698034 525326250 /nfs/dbraw/zinc/32/62/50/525326250.db2.gz LRCIECWFTKWZAN-GDLZYMKVSA-N 1 0 480.612 4.745 50 0 JJAARO Cc1ccc(Sc2nccnc2N2CCC(C(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000035461415 525675192 /nfs/dbraw/zinc/67/51/92/525675192.db2.gz RQCSRACEJIXYRQ-OAQYLSRUSA-N 1 0 467.683 4.533 50 0 JJAARO Cc1cc2nc(N3CCC[N@@H+](C4CCN(CCc5ccccc5)CC4)CC3)nc(C)c2cc1C ZINC000014968055 525676653 /nfs/dbraw/zinc/67/66/53/525676653.db2.gz LYPXUZFHIKUBHA-UHFFFAOYSA-N 1 0 457.666 4.774 50 0 JJAARO Cc1c(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cnn1C ZINC000012205066 525705269 /nfs/dbraw/zinc/70/52/69/525705269.db2.gz PONPKIQMLQGGGZ-DEOSSOPVSA-N 1 0 454.615 4.525 50 0 JJAARO Cc1c(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cnn1C ZINC000012205073 525705867 /nfs/dbraw/zinc/70/58/67/525705867.db2.gz PONPKIQMLQGGGZ-XMMPIXPASA-N 1 0 454.615 4.525 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000014982846 525749059 /nfs/dbraw/zinc/74/90/59/525749059.db2.gz LRDVOFWSPRPXTI-XMMPIXPASA-N 1 0 480.634 4.632 50 0 JJAARO COc1cccc(C(=O)N[C@@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)c1 ZINC000014990536 525826484 /nfs/dbraw/zinc/82/64/84/525826484.db2.gz GAZAHHXATXKEKC-QFIPXVFZSA-N 1 0 495.627 4.811 50 0 JJAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@H](O)COCc3ccco3)n2)cc1Cl ZINC000036147716 525878770 /nfs/dbraw/zinc/87/87/70/525878770.db2.gz DDSLTBJUGPAIFX-QFIPXVFZSA-N 1 0 481.980 4.914 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000036146862 525920854 /nfs/dbraw/zinc/92/08/54/525920854.db2.gz XNFRTBQDIRKQFD-RSXGOPAZSA-N 1 0 478.564 4.578 50 0 JJAARO Cc1c2cccc(C)c2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000065010152 525968538 /nfs/dbraw/zinc/96/85/38/525968538.db2.gz NUOILKXGKSQPED-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO Cc1ccc2c(c1)[nH]c(C(=O)NCCCN1CC[NH+](C)CC1)c2Sc1ccc(Cl)cc1 ZINC000020466725 526214779 /nfs/dbraw/zinc/21/47/79/526214779.db2.gz HTAYAXFGOVOYIN-UHFFFAOYSA-N 1 0 457.043 4.648 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146654 526285637 /nfs/dbraw/zinc/28/56/37/526285637.db2.gz REMKEXMDXRZWCD-UNMCSNQZSA-N 1 0 472.944 4.645 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146612 526285739 /nfs/dbraw/zinc/28/57/39/526285739.db2.gz PVTOUNJWNJSZKA-UPVQGACJSA-N 1 0 472.944 4.645 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012285469 526302815 /nfs/dbraw/zinc/30/28/15/526302815.db2.gz LSBXNASCHUFZKA-UHFFFAOYSA-N 1 0 497.639 4.561 50 0 JJAARO c1ccc(COC2CC[NH+](Cc3ccc4c(c3)CN(Cc3ccc5c(c3)OCO5)CCO4)CC2)cc1 ZINC000014986112 526471730 /nfs/dbraw/zinc/47/17/30/526471730.db2.gz DZQLDNBDPCDKBE-UHFFFAOYSA-N 1 0 486.612 4.991 50 0 JJAARO O=C(CC[C@]1(Cc2cccc3ccccc32)CCC(=O)N1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000014881652 526576060 /nfs/dbraw/zinc/57/60/60/526576060.db2.gz CFMHPEIECOBCCU-FREGXXQWSA-N 1 0 469.629 4.592 50 0 JJAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000035454733 526603265 /nfs/dbraw/zinc/60/32/65/526603265.db2.gz LXCFOZCOJIKJFB-FQEVSTJZSA-N 1 0 482.694 4.599 50 0 JJAARO O=C(c1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21)N1CCOCC1 ZINC000048345511 526624729 /nfs/dbraw/zinc/62/47/29/526624729.db2.gz OIVIKAJHXNVUOK-UHFFFAOYSA-N 1 0 492.623 4.619 50 0 JJAARO O=C(c1cc2cc(C3(O)CC[NH+](Cc4cccn4-c4nccs4)CC3)ccc2o1)N1CCCCC1 ZINC000014980869 526635729 /nfs/dbraw/zinc/63/57/29/526635729.db2.gz YXXIMKGIHPVGEB-UHFFFAOYSA-N 1 0 490.629 4.790 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000046055442 526698302 /nfs/dbraw/zinc/69/83/02/526698302.db2.gz CZPSKBWMQYKWGN-UHFFFAOYSA-N 1 0 481.596 4.947 50 0 JJAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000026406403 526740260 /nfs/dbraw/zinc/74/02/60/526740260.db2.gz SSFBHPAQYOPUOR-RUZDIDTESA-N 1 0 457.549 4.831 50 0 JJAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccc(Br)cc1Cl ZINC000020435679 526768058 /nfs/dbraw/zinc/76/80/58/526768058.db2.gz QQVVSCTWQDCFGD-UHFFFAOYSA-N 1 0 466.851 4.627 50 0 JJAARO Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046141354 526864284 /nfs/dbraw/zinc/86/42/84/526864284.db2.gz NXCCWDQHBBPXLJ-OAHLLOKOSA-N 1 0 495.070 4.827 50 0 JJAARO O=C1CC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000012454615 526995209 /nfs/dbraw/zinc/99/52/09/526995209.db2.gz OYXOPLPKQYLOHV-IBGZPJMESA-N 1 0 467.482 4.687 50 0 JJAARO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3cnn(-c4ccc(F)cc4)c3)[N@H+]3CCC[C@@]123 ZINC000012454765 527038219 /nfs/dbraw/zinc/03/82/19/527038219.db2.gz NWSAPOCKJSWLBV-QXWFJRNPSA-N 1 0 450.945 4.603 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C4)cs1 ZINC000014997608 527069602 /nfs/dbraw/zinc/06/96/02/527069602.db2.gz MYHCZWQXEFZLIJ-FZMZJTMJSA-N 1 0 490.576 4.897 50 0 JJAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C(=O)N1C1CCCC1 ZINC000014878686 527086517 /nfs/dbraw/zinc/08/65/17/527086517.db2.gz XXLKDWPTIYCLTG-HHHXNRCGSA-N 1 0 485.550 4.792 50 0 JJAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccc4ccccc4c2)C(=O)N3C)c2ccccc21 ZINC000014732241 527196556 /nfs/dbraw/zinc/19/65/56/527196556.db2.gz BVJRMENTUGXLJT-UHFFFAOYSA-N 1 0 466.585 4.760 50 0 JJAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccncc2)C1 ZINC000014740934 527204135 /nfs/dbraw/zinc/20/41/35/527204135.db2.gz VFGAMFHJQMRNKA-LOSJGSFVSA-N 1 0 496.586 4.767 50 0 JJAARO O=C(Cn1cc(-c2nnc(C[NH+]3CCCCC3)o2)c2ccccc21)NCc1ccccc1Cl ZINC000033278777 527364440 /nfs/dbraw/zinc/36/44/40/527364440.db2.gz NTBYYHFQADBGSU-UHFFFAOYSA-N 1 0 463.969 4.647 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033071552 527659576 /nfs/dbraw/zinc/65/95/76/527659576.db2.gz ANTNLJHLBVGUKP-HSZRJFAPSA-N 1 0 494.083 4.894 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035473 527661888 /nfs/dbraw/zinc/66/18/88/527661888.db2.gz IWHTYJIIJFGJCY-QFIPXVFZSA-N 1 0 469.029 4.967 50 0 JJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1SC2 ZINC000020414575 527666288 /nfs/dbraw/zinc/66/62/88/527666288.db2.gz WGWDFGWJWMCZAT-UHFFFAOYSA-N 1 0 463.672 4.959 50 0 JJAARO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000008414237 554578275 /nfs/dbraw/zinc/57/82/75/554578275.db2.gz YXKZEYLDDJVWDV-ITYLOYPMSA-N 1 0 473.642 4.917 50 0 JJAARO CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc[nH+]cc4)c3C)C2=O)cc1 ZINC000008451794 554597782 /nfs/dbraw/zinc/59/77/82/554597782.db2.gz MOVYSICDYGGFQL-HYARGMPZSA-N 1 0 476.558 4.563 50 0 JJAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)OC(C)(C)CC3 ZINC000008791363 554684498 /nfs/dbraw/zinc/68/44/98/554684498.db2.gz UCZSYLDHFDDGBI-UHFFFAOYSA-N 1 0 474.601 4.528 50 0 biogenic JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000008834887 554732965 /nfs/dbraw/zinc/73/29/65/554732965.db2.gz MPRYMHBODZXMBQ-HSZRJFAPSA-N 1 0 484.980 4.741 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1 ZINC000008913362 554805343 /nfs/dbraw/zinc/80/53/43/554805343.db2.gz QMXPIXCEYYOJST-UHFFFAOYSA-N 1 0 489.620 4.737 50 0 JJAARO COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000008916627 554810994 /nfs/dbraw/zinc/81/09/94/554810994.db2.gz SUVBDWQXLWTGRI-NDEPHWFRSA-N 1 0 470.592 4.873 50 0 JJAARO O=C(CC[NH+]1CCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000008919223 554815982 /nfs/dbraw/zinc/81/59/82/554815982.db2.gz CMLHGRIUIAZYAT-UHFFFAOYSA-N 1 0 462.413 4.676 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)c(OC)c2)N3)C1 ZINC000008927662 554825175 /nfs/dbraw/zinc/82/51/75/554825175.db2.gz KVDFQQIZOKYZBV-QFIPXVFZSA-N 1 0 463.559 4.783 50 0 JJAARO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCCC[N@H+](Cc2ccccc2)C(C)C)o1 ZINC000009115484 554902352 /nfs/dbraw/zinc/90/23/52/554902352.db2.gz MWRJFCHLJXJNFD-JGCGQSQUSA-N 1 0 452.620 4.926 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000009216042 554984204 /nfs/dbraw/zinc/98/42/04/554984204.db2.gz SCHSHNBEMXOPDF-OAQYLSRUSA-N 1 0 469.379 4.833 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c2C2CC[NH2+]CC2)c(C)c1 ZINC000009227493 555000171 /nfs/dbraw/zinc/00/01/71/555000171.db2.gz ZJHYQFRFNZQUDD-UHFFFAOYSA-N 1 0 471.649 4.535 50 0 JJAARO C[C@@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000009265135 555040610 /nfs/dbraw/zinc/04/06/10/555040610.db2.gz UZWMUIVGYRBFBG-LJQANCHMSA-N 1 0 475.545 4.636 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)CC1 ZINC000009265148 555040620 /nfs/dbraw/zinc/04/06/20/555040620.db2.gz SWLXFXQPOKZPRT-UHFFFAOYSA-N 1 0 455.599 4.525 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)CC1 ZINC000009265425 555041373 /nfs/dbraw/zinc/04/13/73/555041373.db2.gz WZTBHWTYOYJKBH-UHFFFAOYSA-N 1 0 493.604 4.657 50 0 JJAARO CCOc1ccc(C[N@H+](C)C[C@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009282842 555053011 /nfs/dbraw/zinc/05/30/11/555053011.db2.gz BVENFMNYIOTMEI-DEOSSOPVSA-N 1 0 465.590 4.701 50 0 JJAARO CN(C(=S)NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21)C1CC[NH+](C)CC1 ZINC000009373282 555134874 /nfs/dbraw/zinc/13/48/74/555134874.db2.gz YWYYJMOLSQLHOT-UHFFFAOYSA-N 1 0 497.462 4.705 50 0 JJAARO C[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009378848 555140837 /nfs/dbraw/zinc/14/08/37/555140837.db2.gz AFFQVJARVUBEQL-MBSDFSHPSA-N 1 0 470.573 4.711 50 0 JJAARO CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432484 555201597 /nfs/dbraw/zinc/20/15/97/555201597.db2.gz FHLQTCVWDSLCOU-DQEYMECFSA-N 1 0 477.630 4.813 50 0 JJAARO CN1C(=O)c2ccccc2[C@@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432481 555201607 /nfs/dbraw/zinc/20/16/07/555201607.db2.gz FHLQTCVWDSLCOU-JWQCQUIFSA-N 1 0 477.630 4.813 50 0 JJAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009461064 555228389 /nfs/dbraw/zinc/22/83/89/555228389.db2.gz KJOLQPJCGOOCMB-GOSISDBHSA-N 1 0 493.604 4.644 50 0 JJAARO CC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3OC)=NN12 ZINC000009462710 555231720 /nfs/dbraw/zinc/23/17/20/555231720.db2.gz PXPIZIZGRDFUOB-HXUWFJFHSA-N 1 0 456.384 4.813 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(OCc3csc(C)n3)cc2)[NH+]2CCCC2)cc1 ZINC000009495611 555280292 /nfs/dbraw/zinc/28/02/92/555280292.db2.gz DJDKTIHBYDLEHK-DEOSSOPVSA-N 1 0 451.592 4.606 50 0 JJAARO Cc1ccc(-c2onc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5)CC4)cc32)cc1 ZINC000009528985 555322720 /nfs/dbraw/zinc/32/27/20/555322720.db2.gz SEKNLSLZIATILU-UHFFFAOYSA-N 1 0 454.574 4.745 50 0 JJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)NC5CCCCC5)ccc4n3C)CC2)cc1 ZINC000009540797 555333950 /nfs/dbraw/zinc/33/39/50/555333950.db2.gz ZSQZFNJDWXNIHK-UHFFFAOYSA-N 1 0 474.653 4.701 50 0 JJAARO Cc1ccc(CN2c3cc(C(=O)NCCC[NH+](C)C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009546390 555341696 /nfs/dbraw/zinc/34/16/96/555341696.db2.gz QTUVJOBAVRSIED-UHFFFAOYSA-N 1 0 459.615 4.988 50 0 JJAARO CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000009668183 555382183 /nfs/dbraw/zinc/38/21/83/555382183.db2.gz OKTCAOHXJYGKFK-VLASMUNGSA-N 1 0 480.697 4.506 50 0 JJAARO C[NH+]1CCN(c2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)cc2)CC1 ZINC000009671457 555391110 /nfs/dbraw/zinc/39/11/10/555391110.db2.gz YRHVSBBYWVTJDB-UHFFFAOYSA-N 1 0 451.574 4.603 50 0 JJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3N3CC[NH+](C)CC3)[C@H]2c2ccccc2)cc1 ZINC000009672460 555394814 /nfs/dbraw/zinc/39/48/14/555394814.db2.gz BNCMBOXWQNDJDK-VAVYLYDRSA-N 1 0 498.627 4.570 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1)c1ccccc1 ZINC000009672620 555395405 /nfs/dbraw/zinc/39/54/05/555395405.db2.gz QFGPPKABCRPRLJ-KRWDZBQOSA-N 1 0 497.568 4.692 50 0 JJAARO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000009674007 555398753 /nfs/dbraw/zinc/39/87/53/555398753.db2.gz JESKNTQILZXPRE-UHFFFAOYSA-N 1 0 470.617 4.860 50 0 JJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)C1 ZINC000013497080 555412554 /nfs/dbraw/zinc/41/25/54/555412554.db2.gz RJDARHZKIIQTHN-ROUUACIJSA-N 1 0 483.657 4.684 50 0 JJAARO Cc1nn2c(nc(C)c(CCC(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c2C)c1-c1ccccc1 ZINC000009609861 555438739 /nfs/dbraw/zinc/43/87/39/555438739.db2.gz YSRXDMSRLJOWOL-QFIPXVFZSA-N 1 0 459.638 4.635 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3c(C)nc4c(c(C)nn4C(C)(C)C)c3C)cc2)CC1 ZINC000009610313 555440341 /nfs/dbraw/zinc/44/03/41/555440341.db2.gz VLCVNBSXTWJRDT-UHFFFAOYSA-N 1 0 476.669 4.825 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000009804827 555516584 /nfs/dbraw/zinc/51/65/84/555516584.db2.gz LONHDMCVZUSNEC-BGYRXZFFSA-N 1 0 460.574 4.914 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579418 555518622 /nfs/dbraw/zinc/51/86/22/555518622.db2.gz SDLLZOWNFWBEEQ-USHMODERSA-N 1 0 478.596 4.720 50 0 JJAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([NH2+]CCc5ccccc5F)C4=O)cc3)sc2c1 ZINC000019890010 555529472 /nfs/dbraw/zinc/52/94/72/555529472.db2.gz AQGZYESNXZRPGP-QFIPXVFZSA-N 1 0 459.546 4.875 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1OC ZINC000019894446 555532465 /nfs/dbraw/zinc/53/24/65/555532465.db2.gz NIWPGRIRBQXFLJ-UHFFFAOYSA-N 1 0 458.484 4.502 50 0 JJAARO Fc1ccc(N2CC[NH+](CCCNc3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)cc1 ZINC000009831069 555532580 /nfs/dbraw/zinc/53/25/80/555532580.db2.gz QABGWSXYVAFJDR-UHFFFAOYSA-N 1 0 481.579 4.708 50 0 JJAARO Nc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Nc2cccc(Cl)c2)n1 ZINC000019899202 555534855 /nfs/dbraw/zinc/53/48/55/555534855.db2.gz HKSLPIRTXSHLSN-UHFFFAOYSA-N 1 0 486.023 4.758 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC[N@H+]4[C@H](C)CCC[C@@H]4C)C3)sc2c1 ZINC000009848156 555550232 /nfs/dbraw/zinc/55/02/32/555550232.db2.gz BCLKQHHNVNWSIB-HSALFYBXSA-N 1 0 458.672 4.681 50 0 JJAARO Cc1cc2sc(N3CCC[C@H](C(=O)NCCC[N@@H+]4CCc5ccccc5C4)C3)nc2c(C)c1 ZINC000009848385 555550481 /nfs/dbraw/zinc/55/04/81/555550481.db2.gz HRXSLMUGGRPHJD-QHCPKHFHSA-N 1 0 462.663 4.694 50 0 JJAARO C[N@@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21 ZINC000013672828 555564282 /nfs/dbraw/zinc/56/42/82/555564282.db2.gz KSLCYQTUSSEGPT-MRXNPFEDSA-N 1 0 458.343 4.961 50 0 in-vitro JJAARO O=C(COc1ccc2c(c1)OC1(CCCCC1)CC2=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013693153 555588009 /nfs/dbraw/zinc/58/80/09/555588009.db2.gz ODLFXSFQJMDVSJ-UHFFFAOYSA-N 1 0 462.590 4.514 50 0 JJAARO C[N@H+](CC(=O)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21)C1CCCCC1 ZINC000020035900 555610650 /nfs/dbraw/zinc/61/06/50/555610650.db2.gz OZBQGSJLDSSUQW-UHFFFAOYSA-N 1 0 460.574 4.916 50 0 JJAARO C[NH+](C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc3c(cc2s1)OCO3 ZINC000010068130 555614306 /nfs/dbraw/zinc/61/43/06/555614306.db2.gz PGGKZMHMGDEKTH-UHFFFAOYSA-N 1 0 458.392 4.992 50 0 JJAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100546 555633535 /nfs/dbraw/zinc/63/35/35/555633535.db2.gz AKAODWICOIEKFM-UHFFFAOYSA-N 1 0 453.630 4.832 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)[NH+]2CCCC2)cc1 ZINC000014023485 555674439 /nfs/dbraw/zinc/67/44/39/555674439.db2.gz LBGQFNXZSBKWRI-XMMPIXPASA-N 1 0 467.013 4.777 50 0 JJAARO COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000014094252 555686436 /nfs/dbraw/zinc/68/64/36/555686436.db2.gz QIKKGHUHGBQHSI-DEOSSOPVSA-N 1 0 456.546 4.708 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000020181284 555688190 /nfs/dbraw/zinc/68/81/90/555688190.db2.gz CCIUBCIXPATJTR-PQBXMXABSA-N 1 0 463.647 4.856 50 0 JJAARO CC[NH+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21 ZINC000020181328 555688246 /nfs/dbraw/zinc/68/82/46/555688246.db2.gz TZELEASAOVIHKZ-CJLVFECKSA-N 1 0 458.027 4.668 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181506 555688647 /nfs/dbraw/zinc/68/86/47/555688647.db2.gz MKYFVEHNUALTMY-KWJZBXMYSA-N 1 0 489.563 4.786 50 0 JJAARO CCc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000020181672 555689242 /nfs/dbraw/zinc/68/92/42/555689242.db2.gz SBYGSVPKRWBLAW-AFDYPQSWSA-N 1 0 477.674 4.967 50 0 JJAARO Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c2ccccc2n1 ZINC000010334132 555689492 /nfs/dbraw/zinc/68/94/92/555689492.db2.gz ZAIOGUJXXWKOOF-AREMUKBSSA-N 1 0 452.558 4.588 50 0 JJAARO COc1ccc([C@@H](C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116571 555692069 /nfs/dbraw/zinc/69/20/69/555692069.db2.gz ZXNLYNQKRJINMN-VGOFRKELSA-N 1 0 457.530 4.654 50 0 JJAARO COc1ccc([C@H](C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c2c[nH]c3ccccc32)cc1 ZINC000014116575 555692089 /nfs/dbraw/zinc/69/20/89/555692089.db2.gz ZXNLYNQKRJINMN-VGSWGCGISA-N 1 0 457.530 4.654 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 ZINC000014124321 555695816 /nfs/dbraw/zinc/69/58/16/555695816.db2.gz IDALVGOGORQMQZ-FQEVSTJZSA-N 1 0 453.612 4.555 50 0 JJAARO CC[NH+](CC)CCn1c(NC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)nc2ccccc21 ZINC000010653024 555730477 /nfs/dbraw/zinc/73/04/77/555730477.db2.gz DMDGNQYOOSXXDI-UHFFFAOYSA-N 1 0 491.592 4.823 50 0 JJAARO C[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241417 555736797 /nfs/dbraw/zinc/73/67/97/555736797.db2.gz CXRHZOAHPAZNFT-WXAJRKQLSA-N 1 0 466.453 4.624 50 0 JJAARO CC1(C)CC(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000011423903 555779666 /nfs/dbraw/zinc/77/96/66/555779666.db2.gz JBNHQIAFXIAAEH-UHFFFAOYSA-N 1 0 467.614 4.591 50 0 JJAARO CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)c1 ZINC000020532234 555801296 /nfs/dbraw/zinc/80/12/96/555801296.db2.gz GHFHJOYZGDZIJJ-QGZVFWFLSA-N 1 0 466.607 4.976 50 0 JJAARO O=c1c(C[NH2+]Cc2ccc3c(c2)OCO3)cc2ccc(F)cc2n1Cc1ccccc1Cl ZINC000011784212 555815838 /nfs/dbraw/zinc/81/58/38/555815838.db2.gz FFRAEHNCCZTEQY-UHFFFAOYSA-N 1 0 450.897 4.861 50 0 JJAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccc3ccccc3c1)CC2 ZINC000014532034 555819545 /nfs/dbraw/zinc/81/95/45/555819545.db2.gz NGCBLFAVDOELTQ-UHFFFAOYSA-N 1 0 456.590 4.690 50 0 JJAARO Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000011786613 555820203 /nfs/dbraw/zinc/82/02/03/555820203.db2.gz PWLIWYBIUAJLRL-QHCPKHFHSA-N 1 0 494.643 4.904 50 0 JJAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)c1 ZINC000014533077 555821370 /nfs/dbraw/zinc/82/13/70/555821370.db2.gz RMUOHEUMDKAABH-UHFFFAOYSA-N 1 0 498.627 4.522 50 0 JJAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(-c5ccco5)cc4)CC3)O2)cs1 ZINC000011788395 555822465 /nfs/dbraw/zinc/82/24/65/555822465.db2.gz BDRWZAJMUWFBEB-OAQYLSRUSA-N 1 0 451.592 4.655 50 0 JJAARO C[C@H](C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1)c1ccccc1 ZINC000014535815 555824678 /nfs/dbraw/zinc/82/46/78/555824678.db2.gz JJZFCFPTAFSZGV-HSZRJFAPSA-N 1 0 468.601 4.684 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000011790197 555826000 /nfs/dbraw/zinc/82/60/00/555826000.db2.gz PJDAFWGZTYMPER-GDLZYMKVSA-N 1 0 483.656 4.674 50 0 JJAARO COc1ccc(CC[C@@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccsc3)C4=O)CC2)cc1 ZINC000011790440 555826276 /nfs/dbraw/zinc/82/62/76/555826276.db2.gz YGSFBCHAGBXAOP-HXUWFJFHSA-N 1 0 489.641 4.696 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000014537871 555827385 /nfs/dbraw/zinc/82/73/85/555827385.db2.gz WPJWIQLDAPIWNM-UHFFFAOYSA-N 1 0 485.628 4.984 50 0 JJAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014539957 555830002 /nfs/dbraw/zinc/83/00/02/555830002.db2.gz IWCWOEGZEBSAGO-UHFFFAOYSA-N 1 0 490.629 4.638 50 0 JJAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014543050 555834031 /nfs/dbraw/zinc/83/40/31/555834031.db2.gz IKNOJPACILHCQP-UHFFFAOYSA-N 1 0 489.645 4.660 50 0 JJAARO COc1ccccc1-n1cc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)cn1 ZINC000014987953 555841833 /nfs/dbraw/zinc/84/18/33/555841833.db2.gz WBHWJVNKVJQJIY-NRFANRHFSA-N 1 0 472.511 4.571 50 0 JJAARO CCOC(=O)N1CCC(NC(=O)[C@@H]2CC23CC[NH+](Cc2cccc(Oc4ccccc4)c2)CC3)CC1 ZINC000011880960 555849351 /nfs/dbraw/zinc/84/93/51/555849351.db2.gz YGDRBGALDXCFKB-SANMLTNESA-N 1 0 491.632 4.818 50 0 JJAARO Cc1ccc([C@@H](C)CC[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000015006634 555851208 /nfs/dbraw/zinc/85/12/08/555851208.db2.gz FCKUEOGLBRZELJ-HFZDXXHNSA-N 1 0 462.638 4.911 50 0 JJAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CCC2=CCCCC2)C4)n1 ZINC000015006902 555851480 /nfs/dbraw/zinc/85/14/80/555851480.db2.gz DDSFZUHXLMWVTH-NRFANRHFSA-N 1 0 465.667 4.699 50 0 JJAARO c1ccc(Cn2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011910359 555857752 /nfs/dbraw/zinc/85/77/52/555857752.db2.gz GTLJUZLOPCPVOM-HSZRJFAPSA-N 1 0 492.645 4.706 50 0 JJAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+][C@H](CCn3ccnc3)c3ccccc3)CC2)cc1 ZINC000011911443 555859248 /nfs/dbraw/zinc/85/92/48/555859248.db2.gz MKFMLVJVTLZBGS-MUUNZHRXSA-N 1 0 471.649 4.946 50 0 JJAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000015065774 555866763 /nfs/dbraw/zinc/86/67/63/555866763.db2.gz YXUBFYDHFSJCCL-KRWDZBQOSA-N 1 0 450.539 4.596 50 0 JJAARO COC(=O)CC[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000015067970 555868017 /nfs/dbraw/zinc/86/80/17/555868017.db2.gz GIQMRVFARWBLNK-YADARESESA-N 1 0 492.010 4.584 50 0 JJAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](CC2=Cc3cccc(OC)c3OC2)CC1 ZINC000011955238 555869893 /nfs/dbraw/zinc/86/98/93/555869893.db2.gz GHMHVNDMUJVITG-UHFFFAOYSA-N 1 0 451.563 4.585 50 0 JJAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH+]1CCC(c2nc4ccccc4[nH]2)CC1)C3 ZINC000015071163 555870475 /nfs/dbraw/zinc/87/04/75/555870475.db2.gz HWNDYZMZKVUSRT-GOSISDBHSA-N 1 0 461.635 4.871 50 0 JJAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000015074131 555872043 /nfs/dbraw/zinc/87/20/43/555872043.db2.gz LYAZMPSHOXKQOO-GOSISDBHSA-N 1 0 451.954 4.950 50 0 JJAARO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cn2cccn2)c1)Cc1cccc2cccnc21 ZINC000011978260 555875848 /nfs/dbraw/zinc/87/58/48/555875848.db2.gz LZWGPSNSVGZSFI-HHHXNRCGSA-N 1 0 497.643 4.914 50 0 JJAARO CC(C)(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCCc4cccc(F)c4)cc3c2)CC1 ZINC000012039347 555892214 /nfs/dbraw/zinc/89/22/14/555892214.db2.gz SBLLKVLYLGFOPZ-UHFFFAOYSA-N 1 0 452.570 4.874 50 0 JJAARO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](C/C=C/c2ccccc2)CC3)c1 ZINC000012041556 555894093 /nfs/dbraw/zinc/89/40/93/555894093.db2.gz LZGITJZZKNWHHW-MLYOZINFSA-N 1 0 471.649 4.984 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)C(C)C)[C@@H]3OC)c(C)c1C ZINC000012050534 555896125 /nfs/dbraw/zinc/89/61/25/555896125.db2.gz VTYJROYPKZPMQW-FTJBHMTQSA-N 1 0 450.623 4.688 50 0 JJAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000015404758 555904244 /nfs/dbraw/zinc/90/42/44/555904244.db2.gz KNQAZSXAJPAFRF-DEOSSOPVSA-N 1 0 473.573 4.904 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000012151857 555925164 /nfs/dbraw/zinc/92/51/64/555925164.db2.gz ZMVOVQUFEXMBNH-NRFANRHFSA-N 1 0 470.664 4.988 50 0 JJAARO CC[C@@H]1C[N@H+](CCC(=O)N[C@@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000012152857 555927337 /nfs/dbraw/zinc/92/73/37/555927337.db2.gz GQKLYLYPZABQGU-LXFBAYGMSA-N 1 0 459.590 4.668 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCC[NH+]1CCCC1 ZINC000015678258 555943386 /nfs/dbraw/zinc/94/33/86/555943386.db2.gz HYJNOFPRCPQRNA-NDEPHWFRSA-N 1 0 480.653 4.678 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678244 555943406 /nfs/dbraw/zinc/94/34/06/555943406.db2.gz HRLNHXHATPZECN-NDEPHWFRSA-N 1 0 482.669 4.924 50 0 JJAARO COc1cccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)c1 ZINC000012242888 555945808 /nfs/dbraw/zinc/94/58/08/555945808.db2.gz MJIIRRTYDUXEIQ-QFIPXVFZSA-N 1 0 457.618 4.987 50 0 JJAARO O=C(c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015724419 555960164 /nfs/dbraw/zinc/96/01/64/555960164.db2.gz FJTZYEVFLOGPFC-UHFFFAOYSA-N 1 0 497.643 4.578 50 0 JJAARO COc1ccc(-c2c(C)oc3cc(OCCN4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)cc1 ZINC000022854519 555960873 /nfs/dbraw/zinc/96/08/73/555960873.db2.gz DSOPMDVZPUBNOM-UHFFFAOYSA-N 1 0 484.596 4.974 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(C)oc3ncnc(N4CCCCC4)c32)o1 ZINC000015727619 555966826 /nfs/dbraw/zinc/96/68/26/555966826.db2.gz KFNLVTIPYHIDQE-LJQANCHMSA-N 1 0 465.598 4.809 50 0 JJAARO S=c1n(CN2CC[NH+](Cc3cccc4cccnc43)CC2)nc(C2CC2)n1Cc1ccccc1 ZINC000022912089 555967496 /nfs/dbraw/zinc/96/74/96/555967496.db2.gz QTJGDZFPEUZHER-UHFFFAOYSA-N 1 0 470.646 4.663 50 0 JJAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000015729680 555970345 /nfs/dbraw/zinc/97/03/45/555970345.db2.gz LGIOHYCTJBBQKX-UHFFFAOYSA-N 1 0 490.995 4.526 50 0 JJAARO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000012383487 555971539 /nfs/dbraw/zinc/97/15/39/555971539.db2.gz RJEIESQXKZBDRY-MRXNPFEDSA-N 1 0 453.384 4.664 50 0 JJAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000022918449 555972462 /nfs/dbraw/zinc/97/24/62/555972462.db2.gz CWVSUTAKSONNRH-UHFFFAOYSA-N 1 0 482.397 4.934 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2Cc3cccc(OC)c3Oc3ncccc32)s1 ZINC000015732222 555976724 /nfs/dbraw/zinc/97/67/24/555976724.db2.gz CDMOYCPNUCXEFJ-GOSISDBHSA-N 1 0 464.591 4.810 50 0 JJAARO C[C@@H]1C[N@@H+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1 ZINC000012436522 555979926 /nfs/dbraw/zinc/97/99/26/555979926.db2.gz JYYUZJCGIJKDKE-VBQJREDUSA-N 1 0 496.243 4.790 50 0 JJAARO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)cc2)c1 ZINC000012521120 555992280 /nfs/dbraw/zinc/99/22/80/555992280.db2.gz PAXZIKXXXUIJET-QHCPKHFHSA-N 1 0 481.618 4.654 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1 ZINC000012529688 555999670 /nfs/dbraw/zinc/99/96/70/555999670.db2.gz ODZRUKCWMHYKKQ-UHFFFAOYSA-N 1 0 470.664 4.879 50 0 JJAARO CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023054967 556002916 /nfs/dbraw/zinc/00/29/16/556002916.db2.gz DHWJMJLZUUMISF-QFIPXVFZSA-N 1 0 494.488 4.626 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3csc(COc4ccc(F)cc4)n3)c(C)c2)CC1 ZINC000012536393 556009590 /nfs/dbraw/zinc/00/95/90/556009590.db2.gz GNAKFVOFYQJYOF-UHFFFAOYSA-N 1 0 454.571 4.564 50 0 JJAARO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](C[C@H](O)COCc1ccc(Cl)cc1)CC2 ZINC000012540282 556013957 /nfs/dbraw/zinc/01/39/57/556013957.db2.gz FGXCTOGPMWLOIZ-NBGIEHNGSA-N 1 0 474.022 4.944 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000023224741 556032518 /nfs/dbraw/zinc/03/25/18/556032518.db2.gz BVJOHWYSWUXNQA-HSZRJFAPSA-N 1 0 461.046 4.524 50 0 JJAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH+]3CCN(Cc4ccncc4)CC3)CC2)c1 ZINC000023362591 556049296 /nfs/dbraw/zinc/04/92/96/556049296.db2.gz LQKKQNXOBKSXJV-UHFFFAOYSA-N 1 0 497.687 4.830 50 0 JJAARO CCN(CC[N@H+](C)CC)C(=O)CCc1cc2c(n1-c1ccc(OC)cc1)-c1ccccc1CC2 ZINC000023438500 556059230 /nfs/dbraw/zinc/05/92/30/556059230.db2.gz JBZPGAUOYYQYLM-UHFFFAOYSA-N 1 0 459.634 4.984 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(OC)cc4)cc2)N3)C1 ZINC000015947420 556085465 /nfs/dbraw/zinc/08/54/65/556085465.db2.gz VCNQZWSXROPYAL-JOCHJYFZSA-N 1 0 463.559 4.783 50 0 JJAARO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)c1C ZINC000012738177 556106785 /nfs/dbraw/zinc/10/67/85/556106785.db2.gz JAKPQFWRCBLDHF-AREMUKBSSA-N 1 0 477.630 4.671 50 0 JJAARO CCCc1ccc([C@H]([NH2+]Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C(C)C)cc1 ZINC000024746272 556147715 /nfs/dbraw/zinc/14/77/15/556147715.db2.gz LYKIDYPBRORONY-RUZDIDTESA-N 1 0 456.656 4.746 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000012997716 556190277 /nfs/dbraw/zinc/19/02/77/556190277.db2.gz JXYQDMOXQXMNGZ-UHFFFAOYSA-N 1 0 468.601 4.859 50 0 JJAARO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184487 556203976 /nfs/dbraw/zinc/20/39/76/556203976.db2.gz BEGNDCGQVPUYOS-IXCJQBJRSA-N 1 0 471.004 4.996 50 0 biogenic JJAARO CC1CC[NH+]([C@H](CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c2cccs2)CC1 ZINC000017126458 556221001 /nfs/dbraw/zinc/22/10/01/556221001.db2.gz WZTBXPAXIIQZNJ-JOCHJYFZSA-N 1 0 454.640 4.581 50 0 JJAARO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013040195 556242657 /nfs/dbraw/zinc/24/26/57/556242657.db2.gz HNKBODPIFBKZAM-SFHVURJKSA-N 1 0 464.031 4.502 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028290115 556328310 /nfs/dbraw/zinc/32/83/10/556328310.db2.gz OLUKORBEULFVKO-IBGZPJMESA-N 1 0 471.395 4.886 50 0 JJAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028291773 556328581 /nfs/dbraw/zinc/32/85/81/556328581.db2.gz RAIRKJIOJPWFIT-LJQANCHMSA-N 1 0 455.352 4.513 50 0 JJAARO Cc1ccc(-n2ccc(=O)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)n2)cc1C ZINC000028292763 556329303 /nfs/dbraw/zinc/32/93/03/556329303.db2.gz YMIYBIWFTWRLDF-VWLOTQADSA-N 1 0 472.633 4.714 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000013127745 556344396 /nfs/dbraw/zinc/34/43/96/556344396.db2.gz GHJLDHVNGGAWQY-VWLOTQADSA-N 1 0 454.574 4.640 50 0 JJAARO O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019596808 556356391 /nfs/dbraw/zinc/35/63/91/556356391.db2.gz ZWLIOLNWONUVEB-UHFFFAOYSA-N 1 0 489.641 4.672 50 0 JJAARO C[C@@H]([NH2+]C[C@@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(=O)N1CCOCC1 ZINC000019623111 556358017 /nfs/dbraw/zinc/35/80/17/556358017.db2.gz PVSGVBDLYFHFGB-PXDATVDWSA-N 1 0 453.586 4.804 50 0 JJAARO CN1CCc2c1nc1ccccc1c2NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019731417 556362574 /nfs/dbraw/zinc/36/25/74/556362574.db2.gz AZTSXZWNCJZIFG-UHFFFAOYSA-N 1 0 491.639 4.573 50 0 JJAARO COc1ccc(CC[N@H+](C)C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OC ZINC000013135806 556366520 /nfs/dbraw/zinc/36/65/20/556366520.db2.gz JUHKKAOQMHXTRE-XMMPIXPASA-N 1 0 471.544 4.623 50 0 JJAARO CC1CC[NH+](CCCNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)CC1 ZINC000030564992 556367050 /nfs/dbraw/zinc/36/70/50/556367050.db2.gz NSIPHWFYLPWTTH-UHFFFAOYSA-N 1 0 462.438 4.762 50 0 JJAARO Cc1cc(N(C)C)ccc1-c1nc2cc(-c3nc4cc(N5CC[NH+](C)CC5)ccc4[nH]3)ccc2[nH]1 ZINC000031976950 556412284 /nfs/dbraw/zinc/41/22/84/556412284.db2.gz ADKLMOJIJGHCCD-UHFFFAOYSA-N 1 0 465.605 4.899 50 0 in-vitro JJAARO CCN(CC)c1ccc(-c2nn(CN3CC[NH+](CC)CC3)c(=S)n2-c2ccccc2C)cc1 ZINC000032506336 556439681 /nfs/dbraw/zinc/43/96/81/556439681.db2.gz IUYGRHNDSKAZAJ-UHFFFAOYSA-N 1 0 464.683 4.820 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000032622610 556452361 /nfs/dbraw/zinc/45/23/61/556452361.db2.gz FQNUBGOHIIEVEW-AREMUKBSSA-N 1 0 468.553 4.869 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000032622608 556452398 /nfs/dbraw/zinc/45/23/98/556452398.db2.gz FQNUBGOHIIEVEW-SANMLTNESA-N 1 0 468.553 4.869 50 0 JJAARO CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000032622854 556452756 /nfs/dbraw/zinc/45/27/56/556452756.db2.gz AONTWWBQTYIOMS-HSZRJFAPSA-N 1 0 484.980 4.741 50 0 JJAARO CCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)ccc1O ZINC000032623769 556453701 /nfs/dbraw/zinc/45/37/01/556453701.db2.gz DMJPLGQFWKGZDH-HSZRJFAPSA-N 1 0 484.980 4.828 50 0 JJAARO CC(C)(C)c1ccc([C@@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCC2)cc1 ZINC000032624592 556454512 /nfs/dbraw/zinc/45/45/12/556454512.db2.gz IZMJRVOUJJZEMC-QGZVFWFLSA-N 1 0 468.648 4.637 50 0 JJAARO Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000032952980 556568268 /nfs/dbraw/zinc/56/82/68/556568268.db2.gz FJWDNKREUDBITC-UHFFFAOYSA-N 1 0 479.628 4.543 50 0 JJAARO COc1ccc(CN2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)c(F)c1 ZINC000012026576 562958588 /nfs/dbraw/zinc/95/85/88/562958588.db2.gz KLPUBMFRKWLBCU-UHFFFAOYSA-N 1 0 477.580 4.667 50 0 JJAARO Clc1ccccc1Cn1ncc2c1ncnc2N1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000054274577 569589615 /nfs/dbraw/zinc/58/96/15/569589615.db2.gz VLCMJOWWIZUYPG-UHFFFAOYSA-N 1 0 499.018 4.882 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000055100362 569590848 /nfs/dbraw/zinc/59/08/48/569590848.db2.gz XGSKDVKGWXDJJW-RPBOFIJWSA-N 1 0 473.598 4.923 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000057222870 569594767 /nfs/dbraw/zinc/59/47/67/569594767.db2.gz GYSXKTWFMZIXGM-UHFFFAOYSA-N 1 0 487.600 4.835 50 0 JJAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(Cl)c1 ZINC000057251271 569594921 /nfs/dbraw/zinc/59/49/21/569594921.db2.gz BKXSESFGXCPBHJ-UHFFFAOYSA-N 1 0 465.022 4.789 50 0 JJAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000057312346 569596310 /nfs/dbraw/zinc/59/63/10/569596310.db2.gz VNMKUMKJCYJSLF-INIZCTEOSA-N 1 0 452.352 4.991 50 0 JJAARO Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057358691 569599238 /nfs/dbraw/zinc/59/92/38/569599238.db2.gz HRUQFCKRNFGOKL-UHFFFAOYSA-N 1 0 459.638 4.659 50 0 JJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)C1 ZINC000032984010 569607324 /nfs/dbraw/zinc/60/73/24/569607324.db2.gz SJJHYCBGDPWWDB-NQRZERFFSA-N 1 0 453.970 4.564 50 0 JJAARO 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 569608391 /nfs/dbraw/zinc/60/83/91/569608391.db2.gz BMWVZKBOMUEKQR-CALCHBBNSA-N 1 0 465.564 4.896 50 0 JJAARO C[C@H](CCNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)[NH+]1CCCCCC1 ZINC000032995244 569610135 /nfs/dbraw/zinc/61/01/35/569610135.db2.gz WFEZQOPAPWCOJL-QGZVFWFLSA-N 1 0 478.062 4.537 50 0 JJAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063486013 569615326 /nfs/dbraw/zinc/61/53/26/569615326.db2.gz PIBMXFDXGRREMR-UHFFFAOYSA-N 1 0 491.039 4.909 50 0 JJAARO O=C(NCc1cccnc1)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000064450184 569617015 /nfs/dbraw/zinc/61/70/15/569617015.db2.gz ADPZAPWTWJINLO-UHFFFAOYSA-N 1 0 456.565 4.752 50 0 JJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000033023437 569619510 /nfs/dbraw/zinc/61/95/10/569619510.db2.gz JSJDSBXRICBAKH-UHFFFAOYSA-N 1 0 473.614 4.545 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000064816999 569633997 /nfs/dbraw/zinc/63/39/97/569633997.db2.gz LIVAZEQAFUGLGE-UHFFFAOYSA-N 1 0 481.666 4.839 50 0 JJAARO Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679759 569642763 /nfs/dbraw/zinc/64/27/63/569642763.db2.gz WWJXJXRMEIGKOA-UHFFFAOYSA-N 1 0 459.590 4.580 50 0 JJAARO COc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(Cl)cc4)CC3)nc2)c1 ZINC000034681793 569643590 /nfs/dbraw/zinc/64/35/90/569643590.db2.gz DLDGRHXYYJPGIC-UHFFFAOYSA-N 1 0 450.970 4.708 50 0 JJAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@@H+](Cc3ccccc3C(F)(F)F)CC2)nc1 ZINC000034681998 569643711 /nfs/dbraw/zinc/64/37/11/569643711.db2.gz OIJKUBUIPXHDII-UHFFFAOYSA-N 1 0 484.522 4.830 50 0 JJAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C[C@H](O)Cc4ccccc4)CC3)nc2)cc1 ZINC000034682181 569643760 /nfs/dbraw/zinc/64/37/60/569643760.db2.gz KDGZQBGISBPHMU-HHHXNRCGSA-N 1 0 486.660 4.747 50 0 JJAARO COc1cc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nc2)cc(OC)c1 ZINC000034682132 569643782 /nfs/dbraw/zinc/64/37/82/569643782.db2.gz CTMZQXBXBJMELJ-UHFFFAOYSA-N 1 0 479.556 4.594 50 0 JJAARO COc1ccccc1CCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(C)c(C)c3)CC2)cc1 ZINC000034682345 569643898 /nfs/dbraw/zinc/64/38/98/569643898.db2.gz VEXGLDZEGTVCDG-UHFFFAOYSA-N 1 0 457.618 4.607 50 0 JJAARO O=C(NC1CCCCC1)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684544 569645049 /nfs/dbraw/zinc/64/50/49/569645049.db2.gz VDGHYOSANGMAFV-UHFFFAOYSA-N 1 0 458.606 4.644 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698433 569647783 /nfs/dbraw/zinc/64/77/83/569647783.db2.gz LEHPGKBDUYXZKL-UFHPHHKVSA-N 1 0 473.592 4.512 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccccc4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698434 569647808 /nfs/dbraw/zinc/64/78/08/569647808.db2.gz LEHPGKBDUYXZKL-RBJSKKJNSA-N 1 0 473.592 4.512 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4cccs4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698423 569647819 /nfs/dbraw/zinc/64/78/19/569647819.db2.gz XTJTWXAKSUYQSS-BWKNWUBXSA-N 1 0 479.621 4.574 50 0 JJAARO C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CC[N@@H+]1Cc1cccc(F)c1 ZINC000034708013 569650107 /nfs/dbraw/zinc/65/01/07/569650107.db2.gz GCZZGDVTXYETRQ-QGZVFWFLSA-N 1 0 458.566 4.856 50 0 JJAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000034726036 569652831 /nfs/dbraw/zinc/65/28/31/569652831.db2.gz UKIDFEXOSLNFQK-UHFFFAOYSA-N 1 0 489.616 4.725 50 0 JJAARO COc1ccccc1O[C@@H](CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(F)c1 ZINC000034727762 569652926 /nfs/dbraw/zinc/65/29/26/569652926.db2.gz ZNPWBTFJVVFWIL-DEOSSOPVSA-N 1 0 478.564 4.891 50 0 JJAARO CC[NH+]1CCN(CCNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)CC1 ZINC000065055128 569653958 /nfs/dbraw/zinc/65/39/58/569653958.db2.gz AWKRMJLBGSRBPP-UHFFFAOYSA-N 1 0 493.627 4.822 50 0 JJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000065063047 569656471 /nfs/dbraw/zinc/65/64/71/569656471.db2.gz HEUVVUORENIXDD-UHFFFAOYSA-N 1 0 479.650 4.535 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(OC)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829540 569662982 /nfs/dbraw/zinc/66/29/82/569662982.db2.gz FTDMBLIKUNGRLG-UHFFFAOYSA-N 1 0 489.664 4.630 50 0 JJAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830047 569663520 /nfs/dbraw/zinc/66/35/20/569663520.db2.gz VUNJPARLAWPHDZ-MHZLTWQESA-N 1 0 479.690 4.727 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)NC3CCCCC3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831366 569664199 /nfs/dbraw/zinc/66/41/99/569664199.db2.gz SJHHDIAGIZGFJT-UHFFFAOYSA-N 1 0 484.664 4.714 50 0 JJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)Cc1ccccc1 ZINC000034834620 569664737 /nfs/dbraw/zinc/66/47/37/569664737.db2.gz HNLNLXBJLUASCC-UHFFFAOYSA-N 1 0 473.665 4.550 50 0 JJAARO CCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)CC(C)C ZINC000034834413 569664864 /nfs/dbraw/zinc/66/48/64/569664864.db2.gz UVWIAQICAPYQNW-UHFFFAOYSA-N 1 0 453.675 4.888 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)Cc1cccs1 ZINC000034834968 569664988 /nfs/dbraw/zinc/66/49/88/569664988.db2.gz HGOLOXPATWDVPL-NRFANRHFSA-N 1 0 479.694 4.754 50 0 JJAARO CC[NH+]1CCN(c2c(CN(Cc3cccc(O)c3)C(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836378 569665321 /nfs/dbraw/zinc/66/53/21/569665321.db2.gz VMOTVSYAZSCUNP-UHFFFAOYSA-N 1 0 465.617 4.578 50 0 JJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000034912468 569671758 /nfs/dbraw/zinc/67/17/58/569671758.db2.gz PTIBKXJVBIYBKG-UHFFFAOYSA-N 1 0 488.459 4.969 50 0 JJAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000035372859 569683300 /nfs/dbraw/zinc/68/33/00/569683300.db2.gz FAMGCYOCCXZWNI-UHFFFAOYSA-N 1 0 455.027 4.952 50 0 JJAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000035372825 569683361 /nfs/dbraw/zinc/68/33/61/569683361.db2.gz OZKXNGTYQVSUOW-UHFFFAOYSA-N 1 0 455.027 4.952 50 0 JJAARO COc1ccc(NC(=O)[C@H]2C[C@H](Cc3ccccc3)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035375623 569684641 /nfs/dbraw/zinc/68/46/41/569684641.db2.gz NRKJPEUBGHBDRE-JQXZYWDBSA-N 1 0 475.976 4.664 50 0 JJAARO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454176 569697434 /nfs/dbraw/zinc/69/74/34/569697434.db2.gz KIXILYUQJBABJZ-MOPGFXCFSA-N 1 0 473.061 4.548 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000035454691 569697584 /nfs/dbraw/zinc/69/75/84/569697584.db2.gz CPNFGMBSSJTKMM-HXUWFJFHSA-N 1 0 482.694 4.517 50 0 JJAARO O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000035562014 569704534 /nfs/dbraw/zinc/70/45/34/569704534.db2.gz UMMYBSXYGITLBP-UHFFFAOYSA-N 1 0 471.045 4.541 50 0 JJAARO CC[NH+](CC)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)C)cc1 ZINC000035671301 569706089 /nfs/dbraw/zinc/70/60/89/569706089.db2.gz GOCKVWWXSGLZEQ-QGZVFWFLSA-N 1 0 456.637 4.709 50 0 JJAARO CC(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1 ZINC000035671574 569706175 /nfs/dbraw/zinc/70/61/75/569706175.db2.gz NBFFYZWUYAKIGL-SFHVURJKSA-N 1 0 468.648 4.853 50 0 JJAARO c1ccc(-c2nc3nc(-c4ccccc4)nc(N4CC[NH+](CCc5ccncc5)CC4)c3o2)cc1 ZINC000035673313 569706500 /nfs/dbraw/zinc/70/65/00/569706500.db2.gz QFHONZJEOBWGHL-UHFFFAOYSA-N 1 0 462.557 4.712 50 0 JJAARO COc1cc(C(=O)N(CC[C@H]2CCC[N@@H+]2C)C/C(C)=C/c2ccccc2F)cc(OC)c1OC ZINC000084615765 569709352 /nfs/dbraw/zinc/70/93/52/569709352.db2.gz JVRRRKAXHMGUHZ-JIKIWWBOSA-N 1 0 470.585 4.882 50 0 in-vitro JJAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H](CCSC)[NH2+][C@]12C(=O)Nc1c2cccc1Cl ZINC000035828276 569712741 /nfs/dbraw/zinc/71/27/41/569712741.db2.gz RYEKETHKBNLDFV-XUHFEKCNSA-N 1 0 480.417 4.519 50 0 JJAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843583 569714535 /nfs/dbraw/zinc/71/45/35/569714535.db2.gz JUFWKTIRPUTOLM-JOCHJYFZSA-N 1 0 481.431 4.701 50 0 JJAARO Cc1cc(OCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)ccc1Cl ZINC000085876576 569715859 /nfs/dbraw/zinc/71/58/59/569715859.db2.gz MUUCNSYUVJLMOQ-GBXCKJPGSA-N 1 0 470.013 4.660 50 0 biogenic JJAARO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)cc1 ZINC000035871495 569718809 /nfs/dbraw/zinc/71/88/09/569718809.db2.gz QDCRGHAUGJHLJS-LADGPHEKSA-N 1 0 473.539 4.958 50 0 JJAARO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@H]12 ZINC000035871542 569718815 /nfs/dbraw/zinc/71/88/15/569718815.db2.gz ILWGUXWWMDHOTC-FYYLOGMGSA-N 1 0 461.528 4.610 50 0 JJAARO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871431 569718819 /nfs/dbraw/zinc/71/88/19/569718819.db2.gz OLEFIVVIZBOOFM-LADGPHEKSA-N 1 0 487.497 4.617 50 0 JJAARO Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(C[N@@H+]3CCC[C@@H]3CO)cc2)c1 ZINC000094568743 569721481 /nfs/dbraw/zinc/72/14/81/569721481.db2.gz NPUXORBZRBIOMQ-RUZDIDTESA-N 1 0 465.615 4.505 50 0 in-vitro JJAARO COc1ccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccccc4Cl)CC3)nc2)cc1 ZINC000095536311 569725785 /nfs/dbraw/zinc/72/57/85/569725785.db2.gz LZHDQXVZWIHGTI-UHFFFAOYSA-N 1 0 450.970 4.708 50 0 JJAARO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096562014 569741125 /nfs/dbraw/zinc/74/11/25/569741125.db2.gz YDOZKUBIATUKTK-MHZLTWQESA-N 1 0 483.612 4.515 50 0 JJAARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[NH+](C)C ZINC000096601965 569742460 /nfs/dbraw/zinc/74/24/60/569742460.db2.gz KBWOEFXQCHVYIW-UHFFFAOYSA-N 1 0 459.340 4.557 50 0 JJAARO O[C@H](COc1ccccc1Br)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097891396 569745800 /nfs/dbraw/zinc/74/58/00/569745800.db2.gz QBJJLITVUJPNRY-QHCPKHFHSA-N 1 0 481.434 4.596 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@H](O)COC(C)C ZINC000036249925 569758170 /nfs/dbraw/zinc/75/81/70/569758170.db2.gz RCEFHVSDNNWHHE-DEOSSOPVSA-N 1 0 473.658 4.735 50 0 JJAARO C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1cccs1 ZINC000036312839 569760475 /nfs/dbraw/zinc/76/04/75/569760475.db2.gz RAZKYLQKGWEMLL-IBGZPJMESA-N 1 0 452.624 4.986 50 0 JJAARO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313973 569761612 /nfs/dbraw/zinc/76/16/12/569761612.db2.gz BEKZBEUGTBBOBI-HSZRJFAPSA-N 1 0 485.600 4.645 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COCC ZINC000036316158 569762168 /nfs/dbraw/zinc/76/21/68/569762168.db2.gz AQQHIFKNUKJYAQ-FQEVSTJZSA-N 1 0 459.537 4.767 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316537 569763312 /nfs/dbraw/zinc/76/33/12/569763312.db2.gz BDVYWVROAXVPPV-HSZRJFAPSA-N 1 0 467.585 4.976 50 0 JJAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340071 569763556 /nfs/dbraw/zinc/76/35/56/569763556.db2.gz BFYORDLBXDGFBT-AREMUKBSSA-N 1 0 488.676 4.862 50 0 JJAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(F)c2)CC1 ZINC000036340207 569763785 /nfs/dbraw/zinc/76/37/85/569763785.db2.gz JPTOELFLAKIXSD-RUZDIDTESA-N 1 0 462.613 4.855 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340271 569763824 /nfs/dbraw/zinc/76/38/24/569763824.db2.gz UIVXCBIZPYABPI-RUZDIDTESA-N 1 0 495.067 4.604 50 0 JJAARO Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)c1 ZINC000036340583 569763944 /nfs/dbraw/zinc/76/39/44/569763944.db2.gz RLOASCTWPFDHND-AREMUKBSSA-N 1 0 488.676 4.649 50 0 JJAARO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cccc(C)c2)CC1 ZINC000036340598 569764013 /nfs/dbraw/zinc/76/40/13/569764013.db2.gz NYMVXPZALGNTJM-HHHXNRCGSA-N 1 0 488.676 4.651 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341978 569765060 /nfs/dbraw/zinc/76/50/60/569765060.db2.gz DTKMWDDGZWROID-HSZRJFAPSA-N 1 0 467.610 4.837 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341979 569765084 /nfs/dbraw/zinc/76/50/84/569765084.db2.gz DTKMWDDGZWROID-QHCPKHFHSA-N 1 0 467.610 4.837 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342130 569765526 /nfs/dbraw/zinc/76/55/26/569765526.db2.gz NQHZDKXEAYEELQ-HSZRJFAPSA-N 1 0 453.558 4.722 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346442 569769936 /nfs/dbraw/zinc/76/99/36/569769936.db2.gz ZIYHCLAJQJCYMV-QHCPKHFHSA-N 1 0 453.558 4.722 50 0 JJAARO C[C@H]([NH2+]Cc1ccccc1-c1ccc(CN2CCCC2=O)cc1)C(=O)N1CCc2ccccc21 ZINC000036396651 569774940 /nfs/dbraw/zinc/77/49/40/569774940.db2.gz OPXHZZIJJOJXKM-NRFANRHFSA-N 1 0 453.586 4.543 50 0 JJAARO Cc1cccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037357595 569783525 /nfs/dbraw/zinc/78/35/25/569783525.db2.gz QGIUVTOQDIZRPZ-UHFFFAOYSA-N 1 0 462.001 4.924 50 0 JJAARO Cc1cccc(-n2nc3nc(N4CC[NH+](C(C)C)CC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037357600 569783535 /nfs/dbraw/zinc/78/35/35/569783535.db2.gz RUVIKAWOXITTPX-UHFFFAOYSA-N 1 0 462.001 4.557 50 0 JJAARO CC(C)c1ccc(-c2nc(N3CC[NH+](C(C)C)CC3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037360903 569784028 /nfs/dbraw/zinc/78/40/28/569784028.db2.gz JRSAJACURYIPPZ-UHFFFAOYSA-N 1 0 469.637 4.778 50 0 JJAARO Nc1c2c(nn1-c1ccccc1)nc(N1CC[NH+](C3CCCCC3)CC1)nc2-c1cccs1 ZINC000037360111 569784083 /nfs/dbraw/zinc/78/40/83/569784083.db2.gz SXCSUOCZBLIXJJ-UHFFFAOYSA-N 1 0 459.623 4.581 50 0 JJAARO Cc1cccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037375702 569784358 /nfs/dbraw/zinc/78/43/58/569784358.db2.gz LJULYYSGHYHONH-UHFFFAOYSA-N 1 0 463.536 4.549 50 0 JJAARO C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@H+](C)Cc1ccccc1 ZINC000037443409 569791098 /nfs/dbraw/zinc/79/10/98/569791098.db2.gz WCLOMZOYASIYID-NWKHUOOYSA-N 1 0 490.648 4.666 50 0 JJAARO Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037547237 569794450 /nfs/dbraw/zinc/79/44/50/569794450.db2.gz OFIYVSGRXBDCLZ-UHFFFAOYSA-N 1 0 468.548 4.704 50 0 JJAARO COc1ccc(OC)c(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCc4ccccc4C3)CC2)c1 ZINC000037554391 569794579 /nfs/dbraw/zinc/79/45/79/569794579.db2.gz XJYCDYBLRVHFHI-UHFFFAOYSA-N 1 0 485.628 4.985 50 0 JJAARO COc1cccc(N(C2CC[NH+](Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000037559539 569795565 /nfs/dbraw/zinc/79/55/65/569795565.db2.gz FJTHCAJAYOTIJZ-UHFFFAOYSA-N 1 0 450.604 4.864 50 0 JJAARO COc1ccc(N(C2CC[NH+](Cc3ccc(C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000037560541 569795602 /nfs/dbraw/zinc/79/56/02/569795602.db2.gz UGFJROJJNQMCDN-UHFFFAOYSA-N 1 0 480.630 4.872 50 0 JJAARO O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1)NCC[NH+]1CCCCC1 ZINC000037600644 569797020 /nfs/dbraw/zinc/79/70/20/569797020.db2.gz ISAVSBVLDFMJCD-UHFFFAOYSA-N 1 0 491.582 4.956 50 0 JJAARO Cc1ccc(CN(C(=O)c2cccc(F)c2)c2cccc(CC(=O)NCC[NH+]3CCCC3)c2)cc1 ZINC000037601117 569797102 /nfs/dbraw/zinc/79/71/02/569797102.db2.gz BMRFOTRJOWQEEX-UHFFFAOYSA-N 1 0 473.592 4.736 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1cccs1)Sc1ccccc1-2 ZINC000039360231 569809543 /nfs/dbraw/zinc/80/95/43/569809543.db2.gz GZQIVYVSTZMHSP-HOYKHHGWSA-N 1 0 479.671 4.811 50 0 JJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000039995504 569813367 /nfs/dbraw/zinc/81/33/67/569813367.db2.gz QQCVUALXUOEVOR-XXBNENTESA-N 1 0 455.002 4.537 50 0 JJAARO CCN1CC[NH+](C[C@@H](C)CNc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000040149295 569818817 /nfs/dbraw/zinc/81/88/17/569818817.db2.gz YCGPHLHGCGAHQN-INIZCTEOSA-N 1 0 474.472 4.806 50 0 JJAARO C[N@H+](CCCN1C(=O)[C@@H](Oc2ccc(F)cc2Cl)[C@@H]1c1cscn1)Cc1ccccc1 ZINC000040157684 569821639 /nfs/dbraw/zinc/82/16/39/569821639.db2.gz GDVNHVCDJAZRPM-VXKWHMMOSA-N 1 0 459.974 4.789 50 0 JJAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355566 569824030 /nfs/dbraw/zinc/82/40/30/569824030.db2.gz JHTOXSMYSKTUAL-UHFFFAOYSA-N 1 0 476.524 4.618 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983887 569848171 /nfs/dbraw/zinc/84/81/71/569848171.db2.gz XHCHISBQRNPHCJ-LADGPHEKSA-N 1 0 472.944 4.645 50 0 JJAARO 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 569851805 /nfs/dbraw/zinc/85/18/05/569851805.db2.gz RAFFUFMWAUILHI-SMIHKQSGSA-N 1 0 484.587 4.681 50 0 JJAARO 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 569851865 /nfs/dbraw/zinc/85/18/65/569851865.db2.gz RAFFUFMWAUILHI-WXFUMESZSA-N 1 0 484.587 4.681 50 0 JJAARO Cc1sc2nc(CS[C@@H](C)C(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)[nH]c(=O)c2c1C ZINC000107490641 569856425 /nfs/dbraw/zinc/85/64/25/569856425.db2.gz MEJIAVHTNJGTBW-APWZRJJASA-N 1 0 498.718 4.771 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677128 569868529 /nfs/dbraw/zinc/86/85/29/569868529.db2.gz FAXDELZOWUIHHJ-VPUSJEBWSA-N 1 0 495.019 4.922 50 0 JJAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000169678394 569869098 /nfs/dbraw/zinc/86/90/98/569869098.db2.gz WLYHIYICMQQRGF-JYFHCDHNSA-N 1 0 496.648 4.706 50 0 JJAARO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)cc1 ZINC000169679075 569869442 /nfs/dbraw/zinc/86/94/42/569869442.db2.gz QDCRGHAUGJHLJS-UPVQGACJSA-N 1 0 473.539 4.958 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000169679271 569869567 /nfs/dbraw/zinc/86/95/67/569869567.db2.gz REMKEXMDXRZWCD-IRLDBZIGSA-N 1 0 472.944 4.645 50 0 JJAARO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170613448 569872878 /nfs/dbraw/zinc/87/28/78/569872878.db2.gz PWZZUQJEROFAAU-YKSBVNFPSA-N 1 0 480.992 4.873 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076696 570044380 /nfs/dbraw/zinc/04/43/80/570044380.db2.gz MQPFAXFHUBINJK-ZEQRLZLVSA-N 1 0 455.668 4.923 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1F)C2 ZINC000230129872 570045366 /nfs/dbraw/zinc/04/53/66/570045366.db2.gz QJGVQPAASSNLOY-SQHAQQRYSA-N 1 0 494.010 4.667 50 0 JJAARO Cc1ccnc(C)c1C(=O)N1CCC(N2CCN(c3ncc(C(F)(F)F)cc3Cl)[C@H](C)C2)CC1 ZINC000239808076 570052746 /nfs/dbraw/zinc/05/27/46/570052746.db2.gz KGIVOOFIUKTPAT-MRXNPFEDSA-N 1 0 495.977 4.581 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228605 570055772 /nfs/dbraw/zinc/05/57/72/570055772.db2.gz WOCXAGNYWXPBCP-IEOSBIPESA-N 1 0 478.681 4.958 50 0 JJAARO COc1ccc(CC[C@@]2(C)NC(=O)N(CN3CCCCC[C@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000245237282 570057251 /nfs/dbraw/zinc/05/72/51/570057251.db2.gz HTIWMWPYPKXARI-RPLLCQBOSA-N 1 0 465.594 4.522 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245241155 570058396 /nfs/dbraw/zinc/05/83/96/570058396.db2.gz YCYPRRLTJWAMAW-IOKPGSKQSA-N 1 0 468.642 4.551 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COCc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245279137 570061227 /nfs/dbraw/zinc/06/12/27/570061227.db2.gz FAXDELZOWUIHHJ-XNMGPUDCSA-N 1 0 495.019 4.922 50 0 JJAARO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245328789 570065995 /nfs/dbraw/zinc/06/59/95/570065995.db2.gz PRELZQDZVVFEGS-WXVAWEFUSA-N 1 0 481.706 4.973 50 0 JJAARO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(C)cc2C)c1 ZINC000247876387 570070425 /nfs/dbraw/zinc/07/04/25/570070425.db2.gz OTSSZYWKUPHQGU-FDJWOJMMSA-N 1 0 452.595 4.627 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)nc3ccccc32)cc1 ZINC000247879832 570070661 /nfs/dbraw/zinc/07/06/61/570070661.db2.gz IIZSZTMVQGCNDD-QHCPKHFHSA-N 1 0 462.638 4.951 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NC4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247902528 570071060 /nfs/dbraw/zinc/07/10/60/570071060.db2.gz REWJJDSMFDYXOU-QFIPXVFZSA-N 1 0 460.622 4.754 50 0 JJAARO CC(C)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248006186 570072725 /nfs/dbraw/zinc/07/27/25/570072725.db2.gz ONFMMFXCNUDMJG-GOSISDBHSA-N 1 0 469.427 4.867 50 0 JJAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000248026022 570072984 /nfs/dbraw/zinc/07/29/84/570072984.db2.gz WGUNSGZUWRTLRF-OAQYLSRUSA-N 1 0 480.056 4.831 50 0 JJAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248249481 570076706 /nfs/dbraw/zinc/07/67/06/570076706.db2.gz LKECGOVLBMCEOI-SFHVURJKSA-N 1 0 469.427 4.868 50 0 JJAARO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000249693937 570078685 /nfs/dbraw/zinc/07/86/85/570078685.db2.gz OGHWQLFFWVMLOR-FQEVSTJZSA-N 1 0 499.581 4.636 50 0 JJAARO 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 570082949 /nfs/dbraw/zinc/08/29/49/570082949.db2.gz RKMNNYCWZGTVFG-AFTJIJFZSA-N 1 0 467.698 4.557 50 0 JJAARO Cc1coc2c1cc1c(C)c(CC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc1c2C ZINC000253414799 570098601 /nfs/dbraw/zinc/09/86/01/570098601.db2.gz YQPOGECOHAIZMA-WMZHIEFXSA-N 1 0 450.579 4.730 50 0 JJAARO Fc1cccc(Cl)c1Cn1nc(C[NH2+]CCCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492208 570169969 /nfs/dbraw/zinc/16/99/69/570169969.db2.gz VICJPHFIFWQSAH-UHFFFAOYSA-N 1 0 451.933 4.740 50 0 JJAARO Cc1cccc(Cn2nc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000261492578 570170064 /nfs/dbraw/zinc/17/00/64/570170064.db2.gz KXRHWNORBBYLTP-UHFFFAOYSA-N 1 0 496.644 4.550 50 0 JJAARO Cc1cccc(Cn2cc(C[NH2+]CCSc3nnnn3-c3ccccc3)c3ccccc32)c1 ZINC000261492561 570170104 /nfs/dbraw/zinc/17/01/04/570170104.db2.gz JILCHXXVKHFZCO-UHFFFAOYSA-N 1 0 454.603 4.856 50 0 JJAARO O=C(Nc1cccc(N2CCC([NH2+]C[C@@H](c3ccc(F)cc3)N3CCCC3)CC2)c1)c1cccnc1 ZINC000299762866 570174804 /nfs/dbraw/zinc/17/48/04/570174804.db2.gz CKYUZGQIFZEWLR-NDEPHWFRSA-N 1 0 487.623 4.869 50 0 JJAARO Cc1ccsc1C(=O)NCc1nnc(SCC[NH+]2CCCC2)n1-c1cccc(C(F)(F)F)c1 ZINC000299776419 570176170 /nfs/dbraw/zinc/17/61/70/570176170.db2.gz BGWUXHSPBOVQDG-UHFFFAOYSA-N 1 0 495.596 4.774 50 0 JJAARO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)N[C@@H](C)c3ccccc3)CC23CCCCC3)cc1 ZINC000002953390 194178481 /nfs/dbraw/zinc/17/84/81/194178481.db2.gz JESQAOUHFGPZPQ-QHCPKHFHSA-N 1 0 478.706 4.567 50 0 JJAARO CC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000002960458 194181321 /nfs/dbraw/zinc/18/13/21/194181321.db2.gz OUSONPYHSCIBCJ-UHFFFAOYSA-N 1 0 467.573 4.716 50 0 JJAARO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 ZINC000002960534 194181685 /nfs/dbraw/zinc/18/16/85/194181685.db2.gz WRTZHXIUZVHXAP-JOCHJYFZSA-N 1 0 474.008 4.845 50 0 JJAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064007 194223207 /nfs/dbraw/zinc/22/32/07/194223207.db2.gz USRVYLHVUXYHLT-ONUIUJJFSA-N 1 0 469.610 4.950 50 0 JJAARO O[C@@]1(c2ccc(OC(F)F)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000003213943 194240122 /nfs/dbraw/zinc/24/01/22/194240122.db2.gz NMPUEKZHXNNGOE-OAQYLSRUSA-N 1 0 452.319 4.701 50 0 JJAARO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[NH+]4CCCCC4)cc32)c1 ZINC000003638732 194346610 /nfs/dbraw/zinc/34/66/10/194346610.db2.gz VCMKZPHJYFYMKC-UHFFFAOYSA-N 1 0 451.636 4.548 50 0 JJAARO O[C@H](C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000003642092 194347451 /nfs/dbraw/zinc/34/74/51/194347451.db2.gz VXIGQWPVDNLYMN-FGZHOGPDSA-N 1 0 463.581 4.914 50 0 JJAARO COc1cc(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)cc(OC)c1 ZINC000009639780 194843699 /nfs/dbraw/zinc/84/36/99/194843699.db2.gz HKGFRRVYKNPTMG-UHFFFAOYSA-N 1 0 454.958 4.571 50 0 JJAARO Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3C[NH+](C)C)c2)cc1C ZINC000009917313 195023007 /nfs/dbraw/zinc/02/30/07/195023007.db2.gz SAJFXFTYAFUXLE-UHFFFAOYSA-N 1 0 486.037 4.749 50 0 JJAARO CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)CC[NH+](C)C)c1-c1ccccc1 ZINC000009943279 195030126 /nfs/dbraw/zinc/03/01/26/195030126.db2.gz QQVMIGFRYFWUOC-UHFFFAOYSA-N 1 0 450.560 4.979 50 0 JJAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000009933721 195025569 /nfs/dbraw/zinc/02/55/69/195025569.db2.gz WPZDXHIPGQLJBO-RMKNXTFCSA-N 1 0 462.377 4.574 50 0 JJAARO O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012608515 195052852 /nfs/dbraw/zinc/05/28/52/195052852.db2.gz XKBOSIFPUWCHBK-VWLOTQADSA-N 1 0 483.641 4.980 50 0 JJAARO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH2+]CCc3ccc(OC)cc3)ccc2oc1-c1ccccc1 ZINC000012621379 195057159 /nfs/dbraw/zinc/05/71/59/195057159.db2.gz OWLKDJNPGBOADN-QFIPXVFZSA-N 1 0 489.568 4.857 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCC[C@H]2CCNC(C)=O)c(F)c1 ZINC000012709770 195094355 /nfs/dbraw/zinc/09/43/55/195094355.db2.gz AKWQHKRSABAQHC-NRFANRHFSA-N 1 0 450.558 4.568 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)[NH+](C)C)c1 ZINC000012745496 195102185 /nfs/dbraw/zinc/10/21/85/195102185.db2.gz MRYQMFKMMGWDQI-RUZDIDTESA-N 1 0 470.573 4.589 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000012778613 195122629 /nfs/dbraw/zinc/12/26/29/195122629.db2.gz ZVCBNMGLISZUFL-IRLDBZIGSA-N 1 0 462.059 4.745 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000012778618 195122640 /nfs/dbraw/zinc/12/26/40/195122640.db2.gz ZVCBNMGLISZUFL-RBBKRZOGSA-N 1 0 462.059 4.745 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000012788212 195129643 /nfs/dbraw/zinc/12/96/43/195129643.db2.gz KVNLPLLRASZGIH-FGZHOGPDSA-N 1 0 462.421 4.701 50 0 JJAARO COc1cccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)[NH+]2CCCC2)c1 ZINC000012807345 195142212 /nfs/dbraw/zinc/14/22/12/195142212.db2.gz BYIGIVOUTMVPLL-DHIUTWEWSA-N 1 0 492.447 4.710 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2ccccc2NC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000012814057 195146094 /nfs/dbraw/zinc/14/60/94/195146094.db2.gz RPUICYAZYGXNAY-HSZRJFAPSA-N 1 0 463.603 4.966 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000020726739 195207892 /nfs/dbraw/zinc/20/78/92/195207892.db2.gz KZNVGKWUGYXXMO-UTDQILSNSA-N 1 0 463.647 4.937 50 0 JJAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)CCc1ccccc1 ZINC000020728000 195208614 /nfs/dbraw/zinc/20/86/14/195208614.db2.gz RINPAVUMIOQEGR-XHPQRKPJSA-N 1 0 489.616 4.596 50 0 JJAARO CCOc1ccc(-c2nc(CSCC(=O)N3CCC([NH+]4CCCCC4)CC3)c(C)o2)cc1 ZINC000020737125 195213406 /nfs/dbraw/zinc/21/34/06/195213406.db2.gz VMTIQYGAVZGZPI-UHFFFAOYSA-N 1 0 457.640 4.759 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@@H+]5CCCC[C@H]35)CO4)c2=O)cc1OC ZINC000020762311 195218597 /nfs/dbraw/zinc/21/85/97/195218597.db2.gz LCHPQVANSHXVPE-GBXCKJPGSA-N 1 0 490.600 4.894 50 0 biogenic JJAARO O=c1c2c(ncn1CCCc1ccncc1)sc1c2CC[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)C1 ZINC000020774332 195223774 /nfs/dbraw/zinc/22/37/74/195223774.db2.gz FSRXQKVUEOBESW-QGZVFWFLSA-N 1 0 484.547 4.550 50 0 JJAARO O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@@H]([NH2+]Cc1cccc(F)c1F)CC3 ZINC000020777161 195224167 /nfs/dbraw/zinc/22/41/67/195224167.db2.gz QXCQQSAGWIIUNZ-SFHVURJKSA-N 1 0 463.553 4.723 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000020902846 195242095 /nfs/dbraw/zinc/24/20/95/195242095.db2.gz UVCLAYHRSLJRSQ-OUTSHDOLSA-N 1 0 478.681 4.959 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCC[NH+]1CCCCC1 ZINC000020903403 195243382 /nfs/dbraw/zinc/24/33/82/195243382.db2.gz VPIYATFSZOEBMA-LJAQVGFWSA-N 1 0 478.681 4.961 50 0 JJAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020864639 195234310 /nfs/dbraw/zinc/23/43/10/195234310.db2.gz MMJJFYWMFHPEQP-NRFANRHFSA-N 1 0 474.630 4.610 50 0 JJAARO O=C(c1cnn(-c2ccccc2Cl)c1C1CC[NH2+]CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000020941231 195255513 /nfs/dbraw/zinc/25/55/13/195255513.db2.gz WDGBUNOUXZXDCB-UHFFFAOYSA-N 1 0 484.431 4.609 50 0 JJAARO CC(C)Cn1cc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc2c1=O ZINC000020941543 195255976 /nfs/dbraw/zinc/25/59/76/195255976.db2.gz HWMXGGAMFUDLQJ-UHFFFAOYSA-N 1 0 464.585 4.830 50 0 JJAARO CCCC[N@H+](CC)CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166780 195288805 /nfs/dbraw/zinc/28/88/05/195288805.db2.gz YYHBVBRLAMOQGR-UHFFFAOYSA-N 1 0 455.045 4.598 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021364671 195299800 /nfs/dbraw/zinc/29/98/00/195299800.db2.gz PGDOBGSTLBMSLB-MHZLTWQESA-N 1 0 468.642 4.534 50 0 JJAARO Cc1oc(-c2cccc(Cl)c2)nc1C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000021367899 195300169 /nfs/dbraw/zinc/30/01/69/195300169.db2.gz LFXHWPSXUSCGNO-UHFFFAOYSA-N 1 0 493.051 4.860 50 0 JJAARO C[N@H+](CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000021526688 195305190 /nfs/dbraw/zinc/30/51/90/195305190.db2.gz JWWMIOCGWURKOQ-GDLZYMKVSA-N 1 0 490.648 4.810 50 0 JJAARO CCCC[N@H+](CC)CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526694 195305251 /nfs/dbraw/zinc/30/52/51/195305251.db2.gz TVYVIMACPJLRHP-MHZLTWQESA-N 1 0 470.658 4.800 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000021528296 195306567 /nfs/dbraw/zinc/30/65/67/195306567.db2.gz WSPWTGKCZWGCKF-UHFFFAOYSA-N 1 0 473.646 4.844 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021808724 195323976 /nfs/dbraw/zinc/32/39/76/195323976.db2.gz UDAJGGZRKRZXAE-MAQPZARPSA-N 1 0 498.737 4.980 50 0 JJAARO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c3C)cc1OCC ZINC000021913961 195331804 /nfs/dbraw/zinc/33/18/04/195331804.db2.gz PQQAZTGWCSEKOS-LJQANCHMSA-N 1 0 493.652 4.805 50 0 JJAARO CC[N@H+](CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)Cc1ccccc1 ZINC000021915511 195331985 /nfs/dbraw/zinc/33/19/85/195331985.db2.gz PVFJVDRWWDYUHG-UHFFFAOYSA-N 1 0 470.617 4.775 50 0 JJAARO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(-n2cncn2)nc1)[NH+](C)C ZINC000058005010 195361843 /nfs/dbraw/zinc/36/18/43/195361843.db2.gz CWEDHVBWRPNDMB-FQEVSTJZSA-N 1 0 476.412 4.589 50 0 JJAARO CC(=O)N1CCc2cc(C(=O)N(CC[NH+]3CCCC3)Cc3ccc(Cl)c(Cl)c3)ccc21 ZINC000058142477 195366691 /nfs/dbraw/zinc/36/66/91/195366691.db2.gz XHPMQZFPASDTLP-UHFFFAOYSA-N 1 0 460.405 4.641 50 0 JJAARO CC(=O)c1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129349 518365863 /nfs/dbraw/zinc/36/58/63/518365863.db2.gz INQWDBIQHZSCQS-UHFFFAOYSA-N 1 0 471.561 4.765 50 0 JJAARO C/C(=C\c1ccco1)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000014881613 518449023 /nfs/dbraw/zinc/44/90/23/518449023.db2.gz UYEQPNQQJGQRQV-CUPKDKKMSA-N 1 0 475.637 4.967 50 0 JJAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)N4CCOCC4)cc3c2)CC1 ZINC000012245463 519421983 /nfs/dbraw/zinc/42/19/83/519421983.db2.gz ATDYGCNMCOZLDI-NRFANRHFSA-N 1 0 454.611 4.571 50 0 JJAARO CC(=O)Nc1cc(C[NH2+]Cc2ccc3c(c2)Cc2ccccc2-3)cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012453310 519703996 /nfs/dbraw/zinc/70/39/96/519703996.db2.gz CYFGMVUNWNUVPA-BGYRXZFFSA-N 1 0 483.612 4.755 50 0 JJAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000014751332 519732649 /nfs/dbraw/zinc/73/26/49/519732649.db2.gz IIQUBEHFLOVOPJ-LOSJGSFVSA-N 1 0 486.660 4.548 50 0 JJAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146146 519755683 /nfs/dbraw/zinc/75/56/83/519755683.db2.gz UPZRZSCKZXRLSC-GOTSBHOMSA-N 1 0 482.518 4.873 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146138 519771891 /nfs/dbraw/zinc/77/18/91/519771891.db2.gz QHKWLNBGJNTFPS-VXKWHMMOSA-N 1 0 468.491 4.626 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145992 519773717 /nfs/dbraw/zinc/77/37/17/519773717.db2.gz HQCFRKHXPZRMPJ-YADHBBJMSA-N 1 0 451.394 4.775 50 0 JJAARO CCC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc4nc(-c5ccc(C)cc5)oc4c3)CC2)CC1 ZINC000033116039 519855216 /nfs/dbraw/zinc/85/52/16/519855216.db2.gz GRROMKFRFLRYGL-UHFFFAOYSA-N 1 0 488.632 4.600 50 0 JJAARO CCC[NH+]1CCN(CCCNC(=O)Cn2c(-c3cccs3)cc3cc(Cl)ccc32)CC1 ZINC000022795253 519857552 /nfs/dbraw/zinc/85/75/52/519857552.db2.gz FNHGZBQWBIWPSN-UHFFFAOYSA-N 1 0 459.059 4.557 50 0 JJAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCC(Cc5ccccc5)CC4)c(C)c32)CC1 ZINC000033048380 519860602 /nfs/dbraw/zinc/86/06/02/519860602.db2.gz ODOGOCRDMXDDEM-UHFFFAOYSA-N 1 0 477.678 4.627 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146377 519880914 /nfs/dbraw/zinc/88/09/14/519880914.db2.gz CUZFNRYZTOZFNS-PMACEKPBSA-N 1 0 497.394 4.832 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306537 520154766 /nfs/dbraw/zinc/15/47/66/520154766.db2.gz OASXBLJLLFEGDY-NOZRDPDXSA-N 1 0 479.621 4.566 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302414 520155106 /nfs/dbraw/zinc/15/51/06/520155106.db2.gz CBHHFPGJVZUEPY-HSZRJFAPSA-N 1 0 467.610 4.837 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000036304130 520155957 /nfs/dbraw/zinc/15/59/57/520155957.db2.gz RIAMPGBEDWSVRO-OAQYLSRUSA-N 1 0 459.537 4.859 50 0 JJAARO CC1(C)CC(=O)c2cn(-c3ccc(Cl)cc3)c(=O)c(C(=O)N3CC[NH+](C4CCCCC4)CC3)c2C1 ZINC000065000914 520274253 /nfs/dbraw/zinc/27/42/53/520274253.db2.gz DNGNKMBDTDKBQP-UHFFFAOYSA-N 1 0 496.051 4.737 50 0 JJAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4C(F)(F)F)n3)c2C2CC2)C1 ZINC000014988871 520844245 /nfs/dbraw/zinc/84/42/45/520844245.db2.gz CUTJKNHNKOBWTO-GOSISDBHSA-N 1 0 498.553 4.782 50 0 JJAARO CCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000016753649 520898882 /nfs/dbraw/zinc/89/88/82/520898882.db2.gz KQDOSLDBUYGUBK-DEOSSOPVSA-N 1 0 482.552 4.617 50 0 JJAARO CCOC(=O)N1CCC([NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cccs3)CC2)CC1 ZINC000014953061 520923559 /nfs/dbraw/zinc/92/35/59/520923559.db2.gz LPFKPDGFWNMNQD-DEOSSOPVSA-N 1 0 483.678 4.764 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2CCC[NH+]2CCCCC2)CC1 ZINC000021863584 520949750 /nfs/dbraw/zinc/94/97/50/520949750.db2.gz PGMDQMJPPORHKC-CBIUGAAKSA-N 1 0 480.653 4.534 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000033331927 520950508 /nfs/dbraw/zinc/95/05/08/520950508.db2.gz YHHRBODFWNJDHM-KGFICCSSSA-N 1 0 490.648 4.666 50 0 JJAARO CC1CCN(C(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000012279360 520978632 /nfs/dbraw/zinc/97/86/32/520978632.db2.gz LJRWWHHTGBCPJR-NRFANRHFSA-N 1 0 464.606 4.952 50 0 JJAARO CC1CCN(c2ccc(-c3noc(C(=O)NCC4CC[NH+](Cc5ccc(F)cc5)CC4)n3)cc2)CC1 ZINC000035457370 521038298 /nfs/dbraw/zinc/03/82/98/521038298.db2.gz QNTXPLHFNMKIFR-UHFFFAOYSA-N 1 0 491.611 4.754 50 0 JJAARO CC1CCN(c2nccnc2Oc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000033296689 521050049 /nfs/dbraw/zinc/05/00/49/521050049.db2.gz ULJQHSSRWREJBR-UHFFFAOYSA-N 1 0 485.632 4.900 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035080 521084515 /nfs/dbraw/zinc/08/45/15/521084515.db2.gz UCBLWCMZLJODLA-XMMPIXPASA-N 1 0 480.653 4.959 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+](CC)CC)c3)C2)cc1 ZINC000033035128 521086344 /nfs/dbraw/zinc/08/63/44/521086344.db2.gz QDMIEYNHHDKBJB-QHCPKHFHSA-N 1 0 466.626 4.568 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[NH2+]Cc3ccccc3)cc21 ZINC000006144607 521393468 /nfs/dbraw/zinc/39/34/68/521393468.db2.gz WFYNEFXAACEXDS-XMMPIXPASA-N 1 0 472.585 4.954 50 0 JJAARO CCOc1ccccc1C[NH+]1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2cc(C)nn2C)CC1 ZINC000014987558 521480586 /nfs/dbraw/zinc/48/05/86/521480586.db2.gz OVXCRYCKYREKLF-SANMLTNESA-N 1 0 474.649 4.723 50 0 JJAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+]([C@@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000014747763 521527832 /nfs/dbraw/zinc/52/78/32/521527832.db2.gz ABQVURHUEHSBMY-NRFANRHFSA-N 1 0 488.632 4.817 50 0 JJAARO CC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)c2ccco2)c(C(=O)OC)n3CCC(C)C)CC1 ZINC000014741003 521583765 /nfs/dbraw/zinc/58/37/65/521583765.db2.gz DWJQMRJSZPICOL-UHFFFAOYSA-N 1 0 481.597 4.611 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)cc1)C(c1ccc(Cl)cc1)=N2 ZINC000035372898 521585396 /nfs/dbraw/zinc/58/53/96/521585396.db2.gz NKZCWWDGLLDCIH-UHFFFAOYSA-N 1 0 471.026 4.734 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(F)cc1)=N2 ZINC000045994795 521585409 /nfs/dbraw/zinc/58/54/09/521585409.db2.gz CGTNALYYBYMHJY-UHFFFAOYSA-N 1 0 489.016 4.873 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036305522 521678367 /nfs/dbraw/zinc/67/83/67/521678367.db2.gz SRFWVMINDGQZFD-JOCHJYFZSA-N 1 0 467.610 4.886 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C[C@@H](O)COCc1ccco1 ZINC000036249853 521679373 /nfs/dbraw/zinc/67/93/73/521679373.db2.gz IMBVSDPZULPMAG-JOCHJYFZSA-N 1 0 453.583 4.715 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036304526 521679633 /nfs/dbraw/zinc/67/96/33/521679633.db2.gz MGJGAOOBAJMSRY-QHCPKHFHSA-N 1 0 467.610 4.980 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000033252387 521688708 /nfs/dbraw/zinc/68/87/08/521688708.db2.gz GUIBQJLXXARPBM-UHFFFAOYSA-N 1 0 467.573 4.793 50 0 JJAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NCc4ccco4)c3)n2)CC1 ZINC000036065155 521696551 /nfs/dbraw/zinc/69/65/51/521696551.db2.gz QYPWZGFQYZQFLC-UHFFFAOYSA-N 1 0 493.677 4.731 50 0 JJAARO COc1cc(/C=C/C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ccc1OCc1c(C)noc1C ZINC000040090765 521932164 /nfs/dbraw/zinc/93/21/64/521932164.db2.gz PDXBTUJUELDPRJ-DRBUTMMVSA-N 1 0 469.626 4.765 50 0 JJAARO COc1cc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)ccc1OCc1ccccc1 ZINC000012467841 522366232 /nfs/dbraw/zinc/36/62/32/522366232.db2.gz AFBAHBQBZFDTMQ-UHFFFAOYSA-N 1 0 458.602 4.845 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3ccc(OC)cc3)c(=O)cc21 ZINC000008740000 522508794 /nfs/dbraw/zinc/50/87/94/522508794.db2.gz SNIHUMXDMVSUJX-QFIPXVFZSA-N 1 0 476.573 4.567 50 0 biogenic JJAARO COCc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)o1 ZINC000014986696 522974104 /nfs/dbraw/zinc/97/41/04/522974104.db2.gz QDSLKMIWIFCJFQ-XMMPIXPASA-N 1 0 498.649 4.666 50 0 JJAARO COc1ccc(-c2ccccc2)cc1NC(=O)COc1ccc(-c2ncccn2)cc1C[NH+](C)C ZINC000014988959 523140230 /nfs/dbraw/zinc/14/02/30/523140230.db2.gz YDNBEWUSMGZTSU-UHFFFAOYSA-N 1 0 468.557 4.898 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@H]3CCC[N@@H+]5CCCC[C@H]35)CO4)c2=O)cc1 ZINC000036569769 523158171 /nfs/dbraw/zinc/15/81/71/523158171.db2.gz XPTWAYCLCYQFRO-CJFMBICVSA-N 1 0 460.574 4.885 50 0 JJAARO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000012520376 523267470 /nfs/dbraw/zinc/26/74/70/523267470.db2.gz SWSIOVKYVPSAQN-QGZVFWFLSA-N 1 0 461.031 4.735 50 0 JJAARO COCCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000046055734 523313776 /nfs/dbraw/zinc/31/37/76/523313776.db2.gz IEKWVDJXPNEGTO-UHFFFAOYSA-N 1 0 454.014 4.708 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COC(C)(C)C ZINC000036306330 523735295 /nfs/dbraw/zinc/73/52/95/523735295.db2.gz GEWGQQJGMPMAGH-HSZRJFAPSA-N 1 0 481.637 4.812 50 0 JJAARO COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014754469 523804338 /nfs/dbraw/zinc/80/43/38/523804338.db2.gz NRMHWNXAKWFWPW-UHFFFAOYSA-N 1 0 498.627 4.502 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4cccc(C)c4)CC3)C2)s1 ZINC000033078369 523849176 /nfs/dbraw/zinc/84/91/76/523849176.db2.gz SVIWLPBAKPMCBX-HSZRJFAPSA-N 1 0 491.705 4.807 50 0 JJAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](Cc2cc4ccccc4[nH]2)CC3)cc1 ZINC000014745553 523944961 /nfs/dbraw/zinc/94/49/61/523944961.db2.gz ZCQOSRPUIVGQEI-UHFFFAOYSA-N 1 0 488.632 4.674 50 0 JJAARO CN(C(=O)c1ccco1)[C@H](Cc1ccccc1Cl)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000014996338 523950966 /nfs/dbraw/zinc/95/09/66/523950966.db2.gz AXOWNVYLGZSKDR-AREMUKBSSA-N 1 0 497.035 4.900 50 0 JJAARO CCc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000012413363 523964736 /nfs/dbraw/zinc/96/47/36/523964736.db2.gz LJJRBOYJNVHOSW-XMMPIXPASA-N 1 0 469.423 4.727 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4c[nH]c5ccccc45)CC3)C2=O)cc1 ZINC000014750143 524019683 /nfs/dbraw/zinc/01/96/83/524019683.db2.gz HTNZAVUDKHBKDE-UHFFFAOYSA-N 1 0 474.605 4.632 50 0 JJAARO C[C@H]1CCC[N@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N(C)Cc2ccco2)C1 ZINC000014994532 524091430 /nfs/dbraw/zinc/09/14/30/524091430.db2.gz CQIGFPWGNLYHHF-FQEVSTJZSA-N 1 0 476.573 4.945 50 0 JJAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H](CC(C)C)N3Cc4ccccc4C3=O)CC2)c1 ZINC000008619056 524100421 /nfs/dbraw/zinc/10/04/21/524100421.db2.gz NCUBCPJLYPUURA-HHHXNRCGSA-N 1 0 461.650 4.702 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415139 524277731 /nfs/dbraw/zinc/27/77/31/524277731.db2.gz IHYDDBVYUNOGKR-QZTJIDSGSA-N 1 0 483.657 4.969 50 0 JJAARO COc1ccccc1/C=C/C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCc4ccccn4)cc3c2)CC1 ZINC000012218259 524316819 /nfs/dbraw/zinc/31/68/19/524316819.db2.gz MEXZOARDPLHVGS-SOFGYWHQSA-N 1 0 497.595 4.763 50 0 JJAARO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)(C)C ZINC000034921486 524347512 /nfs/dbraw/zinc/34/75/12/524347512.db2.gz QHZBVJMTQRTOAC-FQEVSTJZSA-N 1 0 492.657 4.946 50 0 JJAARO Cc1cccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N(C)CCc5ccccn5)cc4c3)CC2)c1 ZINC000014980725 524391280 /nfs/dbraw/zinc/39/12/80/524391280.db2.gz JBRBCPXCDHRAEC-UHFFFAOYSA-N 1 0 483.612 4.935 50 0 JJAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCCc2cccnc2)C(=O)N3Cc2ccccc2)s1 ZINC000014747910 524442060 /nfs/dbraw/zinc/44/20/60/524442060.db2.gz XDJRQUYMEPBIMO-UHFFFAOYSA-N 1 0 488.657 4.883 50 0 JJAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4cc(C)cc(C)c4)n3CC2)s1 ZINC000014961734 524475907 /nfs/dbraw/zinc/47/59/07/524475907.db2.gz OEMKBTBXNFBMBF-HSZRJFAPSA-N 1 0 465.667 4.840 50 0 JJAARO Cc1ccc(CNc2ncnc3sc(C(=O)N[C@H]4CC[N@H+](Cc5ccccc5)C4)c(C)c32)o1 ZINC000012218053 524620979 /nfs/dbraw/zinc/62/09/79/524620979.db2.gz UAXSGEIMBCDJLI-IBGZPJMESA-N 1 0 461.591 4.518 50 0 JJAARO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CCCN(c5ccc(C(F)(F)F)cn5)CC4)nc(N)c23)C1 ZINC000008718763 524726048 /nfs/dbraw/zinc/72/60/48/524726048.db2.gz PYKAOOMXPZGHBA-OAHLLOKOSA-N 1 0 490.599 4.567 50 0 JJAARO COc1ccc(OC)c(/C=C2\CCCC3=C2[NH+]=C2N=CNN2[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000002916678 524801194 /nfs/dbraw/zinc/80/11/94/524801194.db2.gz KBFFWHMVJRPAQY-ZTBKZUISSA-N 1 0 460.534 4.502 50 0 JJAARO Cc1cc(N2CCC(C(=O)NCC[C@@H](C)[NH+]3CCCC3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000033274959 525053033 /nfs/dbraw/zinc/05/30/33/525053033.db2.gz BWUWDZSJWRXDLH-HXUWFJFHSA-N 1 0 495.071 4.565 50 0 JJAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cccnc3)[N@@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000012247103 525108597 /nfs/dbraw/zinc/10/85/97/525108597.db2.gz SXOQYRYKVPTMFL-YSOGYCHQSA-N 1 0 477.674 4.766 50 0 JJAARO Cc1ccccc1[C@H]([NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1ccncc1 ZINC000012247423 525430118 /nfs/dbraw/zinc/43/01/18/525430118.db2.gz PSDQRVYVACBYQW-MUUNZHRXSA-N 1 0 478.600 4.780 50 0 JJAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O ZINC000012372311 525431132 /nfs/dbraw/zinc/43/11/32/525431132.db2.gz UDRJPFOVXLSABQ-JOCHJYFZSA-N 1 0 483.531 4.758 50 0 JJAARO COc1ccc2nc(N3CCC(C(=O)NCCC[N@H+](Cc4ccccc4)C(C)C)CC3)sc2c1 ZINC000004757451 525673106 /nfs/dbraw/zinc/67/31/06/525673106.db2.gz RKHPQEXIVVBBGY-UHFFFAOYSA-N 1 0 480.678 4.938 50 0 JJAARO Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000033168701 525673994 /nfs/dbraw/zinc/67/39/94/525673994.db2.gz OWXFGVILXUYRQK-QFIPXVFZSA-N 1 0 479.694 4.630 50 0 JJAARO Cc1cc2sc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)nc2c(C)c1 ZINC000020383706 525702158 /nfs/dbraw/zinc/70/21/58/525702158.db2.gz WUVYQHJMDMXRQH-UHFFFAOYSA-N 1 0 462.663 4.910 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012246755 525748412 /nfs/dbraw/zinc/74/84/12/525748412.db2.gz OUBUDYXVHNVFHV-DEOSSOPVSA-N 1 0 464.635 4.927 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1CCC[NH+]1CCCCC1 ZINC000021809861 525794472 /nfs/dbraw/zinc/79/44/72/525794472.db2.gz ZKJJOVMPYOIPDL-SANMLTNESA-N 1 0 470.683 4.632 50 0 JJAARO COc1cccc(C(=O)N[C@H](C)c2nnc3n2CC[N@@H+](Cc2ccc(-c4ccccc4C)cc2)CC3)c1 ZINC000014990539 525830429 /nfs/dbraw/zinc/83/04/29/525830429.db2.gz GAZAHHXATXKEKC-JOCHJYFZSA-N 1 0 495.627 4.811 50 0 JJAARO Cc1ccsc1C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014750669 525843487 /nfs/dbraw/zinc/84/34/87/525843487.db2.gz PTZXXHPOTLVEMG-UHFFFAOYSA-N 1 0 488.657 4.883 50 0 JJAARO Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1C ZINC000022716238 525853033 /nfs/dbraw/zinc/85/30/33/525853033.db2.gz ZZHVYIVXHBKVEK-FUHWJXTLSA-N 1 0 479.576 4.659 50 0 JJAARO Cc1c2cc(C)ccc2oc1-c1noc(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000065010266 525951012 /nfs/dbraw/zinc/95/10/12/525951012.db2.gz RELGIHHVEWZBDP-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO COc1cccc(C[C@H](C2CC[NH+](Cc3ccc(C)cc3)CC2)N(C)C(=O)c2ccccn2)c1 ZINC000014991705 526076439 /nfs/dbraw/zinc/07/64/39/526076439.db2.gz HDDPILXILREPDM-MUUNZHRXSA-N 1 0 457.618 4.994 50 0 JJAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000034725118 526084230 /nfs/dbraw/zinc/08/42/30/526084230.db2.gz SIZLKYWAZUCNRQ-UHFFFAOYSA-N 1 0 492.639 4.639 50 0 JJAARO Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000033293609 526094014 /nfs/dbraw/zinc/09/40/14/526094014.db2.gz DIBZKNPSQYMMGJ-BKUYFWCQSA-N 1 0 460.559 4.781 50 0 JJAARO Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c2n1-c1ccccc1S[C@H](c1ccsc1)C2 ZINC000014994382 526127913 /nfs/dbraw/zinc/12/79/13/526127913.db2.gz LSNPKBWELAYNGL-KOSHJBKYSA-N 1 0 479.671 4.669 50 0 JJAARO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)CC3)nc2c1 ZINC000033070837 526252653 /nfs/dbraw/zinc/25/26/53/526252653.db2.gz NPYQUXPORSXHNO-UHFFFAOYSA-N 1 0 473.665 4.549 50 0 JJAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000008606363 526308370 /nfs/dbraw/zinc/30/83/70/526308370.db2.gz CJZVWJUNNJTTOC-UHFFFAOYSA-N 1 0 485.657 4.988 50 0 JJAARO Fc1ccc(-n2ncc3c2ncnc3N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022628081 526321314 /nfs/dbraw/zinc/32/13/14/526321314.db2.gz SMQWCKKYJDJIKI-UHFFFAOYSA-N 1 0 464.548 4.866 50 0 JJAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccncc4)CC3)n2C[C@@H]2CCCO2)cc1 ZINC000014984132 526345024 /nfs/dbraw/zinc/34/50/24/526345024.db2.gz SMRSIBDZFUBWRU-QHCPKHFHSA-N 1 0 467.614 4.663 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC[C@@H](c3ccco3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000012246790 526698508 /nfs/dbraw/zinc/69/85/08/526698508.db2.gz IKCPIBCPIABXCI-HHHXNRCGSA-N 1 0 473.617 4.533 50 0 JJAARO O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CC12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000012454762 526743671 /nfs/dbraw/zinc/74/36/71/526743671.db2.gz CTIKTVNABLSNLJ-SFHVURJKSA-N 1 0 452.904 4.983 50 0 JJAARO O=C(NCc1ccccc1C(F)(F)F)[C@H]1CC12CC[NH+](Cc1ccc(O)c(Cl)c1)CC2 ZINC000012454758 526744637 /nfs/dbraw/zinc/74/46/37/526744637.db2.gz CTIKTVNABLSNLJ-GOSISDBHSA-N 1 0 452.904 4.983 50 0 JJAARO O=C(c1ccccn1)N([C@H](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2)CC1)C1CC1 ZINC000014994091 526814174 /nfs/dbraw/zinc/81/41/74/526814174.db2.gz WBJVNQROISPNDF-MUUNZHRXSA-N 1 0 455.602 4.915 50 0 JJAARO Cc1nc(C[N@@H+](C)[C@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)cs1 ZINC000014964776 526845638 /nfs/dbraw/zinc/84/56/38/526845638.db2.gz JJRKWTRPSJGASW-IBGZPJMESA-N 1 0 468.623 4.594 50 0 JJAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000022785473 527018397 /nfs/dbraw/zinc/01/83/97/527018397.db2.gz HWDYDQTYTJZSIX-XMMPIXPASA-N 1 0 493.529 4.745 50 0 JJAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](CCc3ccccc3)CC2)N1Cc1ccccc1 ZINC000014751887 527038169 /nfs/dbraw/zinc/03/81/69/527038169.db2.gz OEXBEDIYBDSZEN-UHFFFAOYSA-N 1 0 482.628 4.556 50 0 JJAARO Cc1nc2ccsc2c(Nc2n[nH]c3c2CN(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)C3(C)C)n1 ZINC000043203531 527182761 /nfs/dbraw/zinc/18/27/61/527182761.db2.gz AYCPARAPKDAOEN-LJQANCHMSA-N 1 0 490.637 4.530 50 0 investigational JJAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)c2ccccc21 ZINC000014746815 527196450 /nfs/dbraw/zinc/19/64/50/527196450.db2.gz FNEOZILPXBWIAO-UHFFFAOYSA-N 1 0 493.611 4.573 50 0 JJAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004453 527210236 /nfs/dbraw/zinc/21/02/36/527210236.db2.gz KGNXDZBXFJQBCU-UHFFFAOYSA-N 1 0 457.621 4.614 50 0 JJAARO O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008590087 527348563 /nfs/dbraw/zinc/34/85/63/527348563.db2.gz LBSBJLRJTBTAEJ-UHFFFAOYSA-N 1 0 494.611 4.977 50 0 JJAARO O=C(Nc1cccc(N2CCC([NH+]3CCC([C@@H](O)c4cccs4)CC3)CC2)c1)c1cccnc1 ZINC000014880802 527356718 /nfs/dbraw/zinc/35/67/18/527356718.db2.gz BXHQWVFVNALXPX-AREMUKBSSA-N 1 0 476.646 4.810 50 0 JJAARO Cn1cccc1C[NH+]1CCC(c2nnc(SCC3CCCCC3)n2C[C@H]2CCCO2)CC1 ZINC000012245210 527391995 /nfs/dbraw/zinc/39/19/95/527391995.db2.gz QSNSUCDDCWTKNR-HSZRJFAPSA-N 1 0 457.688 4.848 50 0 JJAARO O=c1c2c3c(sc2ncn1Cc1cccc(F)c1)C[C@@H]([NH2+]Cc1ccccc1Cl)CC3 ZINC000020453301 527460397 /nfs/dbraw/zinc/46/03/97/527460397.db2.gz SYFOXKOQBVPZKA-SFHVURJKSA-N 1 0 453.970 4.946 50 0 JJAARO O=C(NC1CCCC1)c1cc2cc(C3(O)CC[NH+](Cc4cccn4-c4nccs4)CC3)ccc2o1 ZINC000014981576 527509329 /nfs/dbraw/zinc/50/93/29/527509329.db2.gz GWMFRPJRWFISID-UHFFFAOYSA-N 1 0 490.629 4.836 50 0 JJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012521275 527570949 /nfs/dbraw/zinc/57/09/49/527570949.db2.gz HSKGLCXSQMFLRT-UHFFFAOYSA-N 1 0 473.614 4.545 50 0 JJAARO O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000020415131 527665823 /nfs/dbraw/zinc/66/58/23/527665823.db2.gz HSJZOAYJKBVNQV-UHFFFAOYSA-N 1 0 469.630 4.582 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000002300042 554138904 /nfs/dbraw/zinc/13/89/04/554138904.db2.gz CQXQWVPQGZEITP-TZMCWYRMSA-N 1 0 463.957 4.720 50 0 JJAARO CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(NCC[NH3+])n1 ZINC000002386410 554177876 /nfs/dbraw/zinc/17/78/76/554177876.db2.gz DMHIBAUCSYUPPC-UHFFFAOYSA-N 1 0 451.621 4.850 50 0 JJAARO CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000002407305 554189425 /nfs/dbraw/zinc/18/94/25/554189425.db2.gz MFEIGIPFISABIE-HHHXNRCGSA-N 1 0 498.579 4.878 50 0 JJAARO O[C@@H](C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)COCc1ccc2c(c1)OCO2 ZINC000002664066 554277084 /nfs/dbraw/zinc/27/70/84/554277084.db2.gz YRYBDWLKRUCDRP-UGKGYDQZSA-N 1 0 478.976 4.849 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000002890301 554408740 /nfs/dbraw/zinc/40/87/40/554408740.db2.gz YXPWMTKWXVXPDS-IBGZPJMESA-N 1 0 475.770 4.706 50 0 JJAARO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000008399008 554574023 /nfs/dbraw/zinc/57/40/23/554574023.db2.gz ZIGPGWVBSBYKAD-UHFFFAOYSA-N 1 0 477.608 4.830 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCCc3ccccc3)c(=O)cc21 ZINC000008740152 554642032 /nfs/dbraw/zinc/64/20/32/554642032.db2.gz QNWLRLYUDWCCDP-QFIPXVFZSA-N 1 0 460.574 4.601 50 0 biogenic JJAARO CCCC[N@H+](CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)Cc1ccccc1 ZINC000008812938 554694840 /nfs/dbraw/zinc/69/48/40/554694840.db2.gz BYBCNVMOLSVNQW-HXUWFJFHSA-N 1 0 459.993 4.641 50 0 JJAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000008813038 554695070 /nfs/dbraw/zinc/69/50/70/554695070.db2.gz PLWMTOKQTZCEDW-UHFFFAOYSA-N 1 0 450.586 4.981 50 0 JJAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000008813065 554695110 /nfs/dbraw/zinc/69/51/10/554695110.db2.gz JFEDSRHWOBUYKC-UHFFFAOYSA-N 1 0 450.586 4.981 50 0 JJAARO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008848872 554746600 /nfs/dbraw/zinc/74/66/00/554746600.db2.gz JAVNNYVWZPSZEV-VWLOTQADSA-N 1 0 470.573 4.767 50 0 JJAARO CC1(C)CN(C(=O)Nc2ccccc2)C2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[NH2+]1 ZINC000008887901 554779317 /nfs/dbraw/zinc/77/93/17/554779317.db2.gz GICQDRNLYYNURT-UHFFFAOYSA-N 1 0 467.923 4.966 50 0 JJAARO Cc1cccc(Cn2c3cnccc3nc2SCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000008913311 554804904 /nfs/dbraw/zinc/80/49/04/554804904.db2.gz PODCTGVJFJYBER-UHFFFAOYSA-N 1 0 485.657 4.906 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000008913599 554806326 /nfs/dbraw/zinc/80/63/26/554806326.db2.gz JWNFVQCARHWJRH-UHFFFAOYSA-N 1 0 491.636 4.983 50 0 JJAARO CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009012760 554864789 /nfs/dbraw/zinc/86/47/89/554864789.db2.gz DUXABKGBBALVKY-UHFFFAOYSA-N 1 0 488.510 4.514 50 0 JJAARO COc1ccc([S@](=O)Cc2ccc(C(=O)NCCC[N@H+](Cc3ccccc3)C(C)C)o2)cc1 ZINC000009115733 554902862 /nfs/dbraw/zinc/90/28/62/554902862.db2.gz CCINWZJMOWJCFX-XIFFEERXSA-N 1 0 468.619 4.627 50 0 JJAARO CC(C)[N@H+](CCCNC(=O)c1ccc(C[S@](=O)c2ccc(F)cc2)o1)Cc1ccccc1 ZINC000009115784 554902875 /nfs/dbraw/zinc/90/28/75/554902875.db2.gz QKFLSYIDYDZHLE-JGCGQSQUSA-N 1 0 456.583 4.757 50 0 JJAARO COc1ccc(OC)c2sc(N(CCC[NH+](C)C)C(=O)c3nc4ccccc4s3)nc21 ZINC000009151937 554939262 /nfs/dbraw/zinc/93/92/62/554939262.db2.gz CVMUESKTZIEWIK-UHFFFAOYSA-N 1 0 456.593 4.522 50 0 JJAARO FC(F)Oc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH2+]CC2)cc1 ZINC000009210013 554979280 /nfs/dbraw/zinc/97/92/80/554979280.db2.gz CYGIAHAJMZAUHJ-GOSISDBHSA-N 1 0 464.310 4.674 50 0 JJAARO Cc1oc(-c2ccc(C(=O)NCC[NH+]3CCCCCC3)cc2)nc1CS(=O)(=O)c1ccc(C)cc1 ZINC000009212141 554982752 /nfs/dbraw/zinc/98/27/52/554982752.db2.gz NLCXHLWAOGEOOU-UHFFFAOYSA-N 1 0 495.645 4.538 50 0 JJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[NH+]3CCCCC3)cnn2-c2ccccc2)CC1 ZINC000009227868 555001105 /nfs/dbraw/zinc/00/11/05/555001105.db2.gz PNFWVOQBHFCRDO-UHFFFAOYSA-N 1 0 495.668 4.593 50 0 JJAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCCCC3)cnn2-c2ccccc2)CC1 ZINC000009227872 555001151 /nfs/dbraw/zinc/00/11/51/555001151.db2.gz DIPGRWGTFAGPMP-UHFFFAOYSA-N 1 0 495.668 4.593 50 0 JJAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(C)cc4)CC2)n3C)cc1 ZINC000009243505 555018438 /nfs/dbraw/zinc/01/84/38/555018438.db2.gz GFTVAUBFJNGUQD-UHFFFAOYSA-N 1 0 483.616 4.507 50 0 JJAARO C[C@H](Oc1ccccc1)C(=O)Nc1c2ccccc2oc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000009265133 555040601 /nfs/dbraw/zinc/04/06/01/555040601.db2.gz UZWMUIVGYRBFBG-IBGZPJMESA-N 1 0 475.545 4.636 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)CC1 ZINC000009265413 555041405 /nfs/dbraw/zinc/04/14/05/555041405.db2.gz GDHMPURQRVDAHO-UHFFFAOYSA-N 1 0 477.605 4.957 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(OCc3cscn3)cc2)[NH+]2CCCCC2)cc1 ZINC000009376091 555136693 /nfs/dbraw/zinc/13/66/93/555136693.db2.gz SGEOHRUJRGXTGU-DEOSSOPVSA-N 1 0 451.592 4.688 50 0 JJAARO CCC[NH+](CCC)C[C@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000009428122 555193625 /nfs/dbraw/zinc/19/36/25/555193625.db2.gz GZROMFDYNOTMLO-VWLOTQADSA-N 1 0 454.636 4.826 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433458 555203663 /nfs/dbraw/zinc/20/36/63/555203663.db2.gz LBPCMQHXRCHVBN-CTUHWIOQSA-N 1 0 451.636 4.572 50 0 JJAARO COc1cccc(-n2cc(C(=O)NCC[N@H+](Cc3ccco3)C3CCCC3)c3ccccc3c2=O)c1 ZINC000009439010 555208681 /nfs/dbraw/zinc/20/86/81/555208681.db2.gz USGUKHQPDRQENT-UHFFFAOYSA-N 1 0 485.584 4.767 50 0 JJAARO O[C@H](COc1ccccc1)C[NH+](CCc1ccc(Cl)cc1Cl)C[C@H](O)COc1ccccc1 ZINC000013149389 555352317 /nfs/dbraw/zinc/35/23/17/555352317.db2.gz SUWIQHPKSBUVAQ-GOTSBHOMSA-N 1 0 490.427 4.718 50 0 JJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000009674014 555398783 /nfs/dbraw/zinc/39/87/83/555398783.db2.gz JDOPEHPYFZIOCK-PMACEKPBSA-N 1 0 462.638 4.706 50 0 JJAARO Cn1nc(C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2c1-c1ccsc1CC2 ZINC000009687668 555415152 /nfs/dbraw/zinc/41/51/52/555415152.db2.gz PMNPZASMSHARGY-UHFFFAOYSA-N 1 0 455.027 4.543 50 0 JJAARO Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009609281 555437666 /nfs/dbraw/zinc/43/76/66/555437666.db2.gz YAMBPZWTOIMRAC-UHFFFAOYSA-N 1 0 467.617 4.727 50 0 JJAARO Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NC[C@@H]3CC[N@@H+](C4CCCC4)C3)c12 ZINC000009610389 555440578 /nfs/dbraw/zinc/44/05/78/555440578.db2.gz WXXJETRHAXMASJ-SFHVURJKSA-N 1 0 452.002 4.685 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c12 ZINC000009610442 555440755 /nfs/dbraw/zinc/44/07/55/555440755.db2.gz AZEGSCVKMWJCQC-UHFFFAOYSA-N 1 0 453.590 4.524 50 0 JJAARO COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000009743624 555475129 /nfs/dbraw/zinc/47/51/29/555475129.db2.gz HBHHIKIMGXHDEQ-DEOSSOPVSA-N 1 0 470.573 4.767 50 0 JJAARO COc1cc2c(cc1C(=O)Cc1ccccc1)[C@@H](CCc1cc(OC)c(OC)c(OC)c1)[NH2+]CC2 ZINC000019865859 555521098 /nfs/dbraw/zinc/52/10/98/555521098.db2.gz QRGCAQVTBTWDEX-XMMPIXPASA-N 1 0 475.585 4.966 50 0 JJAARO Cc1cccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1C ZINC000019891001 555530141 /nfs/dbraw/zinc/53/01/41/555530141.db2.gz RQUNEVBEQUZKDF-UHFFFAOYSA-N 1 0 479.632 4.721 50 0 JJAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC[N@H+]3[C@H](C)CCC[C@@H]3C)n2n1 ZINC000009831125 555532504 /nfs/dbraw/zinc/53/25/04/555532504.db2.gz ZUXIYCIFFZQHLX-BGYRXZFFSA-N 1 0 482.636 4.853 50 0 JJAARO Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1C ZINC000019899181 555534848 /nfs/dbraw/zinc/53/48/48/555534848.db2.gz CLHGPPJQNLBTGY-UHFFFAOYSA-N 1 0 479.632 4.721 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)sc2c1 ZINC000009848101 555550014 /nfs/dbraw/zinc/55/00/14/555550014.db2.gz DEWXJECCBVUXPP-NRFANRHFSA-N 1 0 478.662 4.692 50 0 JJAARO CCc1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019944384 555562801 /nfs/dbraw/zinc/56/28/01/555562801.db2.gz SGZLGIFMSDNZRM-UHFFFAOYSA-N 1 0 479.632 4.667 50 0 JJAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3cc4ccccc4cc3OC)nc21 ZINC000010066328 555614053 /nfs/dbraw/zinc/61/40/53/555614053.db2.gz AKYVRGYXXUMSTM-UHFFFAOYSA-N 1 0 465.575 4.684 50 0 JJAARO CCc1ccc([C@H](CNC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)[NH+](C)C)cc1 ZINC000010139282 555636087 /nfs/dbraw/zinc/63/60/87/555636087.db2.gz JNQVXIYGKDHWHZ-QFIPXVFZSA-N 1 0 465.667 4.506 50 0 JJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)c(OC)c4)ccc3n2)CC1 ZINC000020108616 555643812 /nfs/dbraw/zinc/64/38/12/555643812.db2.gz IWLHZNVXXRDRFY-UHFFFAOYSA-N 1 0 483.410 4.709 50 0 JJAARO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)s1 ZINC000010202905 555646066 /nfs/dbraw/zinc/64/60/66/555646066.db2.gz JTVQRDVPGMIGHX-UHFFFAOYSA-N 1 0 475.658 4.979 50 0 JJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3CCC(Cc4ccccc4)CC3)cc12 ZINC000020153722 555673121 /nfs/dbraw/zinc/67/31/21/555673121.db2.gz BOFPEVMNJZPBSX-UHFFFAOYSA-N 1 0 473.690 4.947 50 0 JJAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCc3ccc(F)cc3Cl)cc12 ZINC000020153871 555673381 /nfs/dbraw/zinc/67/33/81/555673381.db2.gz MZILDFRJECAUMB-UHFFFAOYSA-N 1 0 458.006 4.574 50 0 JJAARO COc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1OCc1c(C)noc1C ZINC000014068162 555677197 /nfs/dbraw/zinc/67/71/97/555677197.db2.gz ACVXLYQTSNNYBF-UHFFFAOYSA-N 1 0 463.578 4.795 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cccc(C)c2)c1 ZINC000020168688 555679524 /nfs/dbraw/zinc/67/95/24/555679524.db2.gz FTHVIWGHJVUEBQ-UHFFFAOYSA-N 1 0 457.574 4.746 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000020181303 555688163 /nfs/dbraw/zinc/68/81/63/555688163.db2.gz SWABLYAVFWYKEX-DIWDRYHZSA-N 1 0 463.647 4.713 50 0 JJAARO Cc1cc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c2ccccc2n1 ZINC000010334126 555689430 /nfs/dbraw/zinc/68/94/30/555689430.db2.gz ZAIOGUJXXWKOOF-SANMLTNESA-N 1 0 452.558 4.588 50 0 JJAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 ZINC000014124326 555695838 /nfs/dbraw/zinc/69/58/38/555695838.db2.gz IDALVGOGORQMQZ-HXUWFJFHSA-N 1 0 453.612 4.555 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H](c2ccccc2OC)[NH+]2CCCC2)nc1 ZINC000014138708 555704950 /nfs/dbraw/zinc/70/49/50/555704950.db2.gz OBVLJSOOGPWQLU-XMMPIXPASA-N 1 0 480.634 4.554 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(F)c2)C4)cs1 ZINC000020212232 555705624 /nfs/dbraw/zinc/70/56/24/555705624.db2.gz KHSULEJEDUEVFC-CXAGYDPISA-N 1 0 454.596 4.618 50 0 JJAARO COc1ccc([C@@H](C[NH2+][C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000014142423 555707878 /nfs/dbraw/zinc/70/78/78/555707878.db2.gz NSQXEKXLPZFDLY-FDDCHVKYSA-N 1 0 471.557 4.696 50 0 JJAARO COc1ccc([C@H](C[NH2+][C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c2c[nH]c3ccccc32)cc1 ZINC000014142426 555707915 /nfs/dbraw/zinc/70/79/15/555707915.db2.gz NSQXEKXLPZFDLY-JPYJTQIMSA-N 1 0 471.557 4.696 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)[NH+]2CCCC2)cc1 ZINC000014161264 555716148 /nfs/dbraw/zinc/71/61/48/555716148.db2.gz VTRPEYKANLGWKH-HHHXNRCGSA-N 1 0 481.600 4.569 50 0 JJAARO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([N@H+](C)Cc2ccccc2)C4)c1 ZINC000020233525 555724594 /nfs/dbraw/zinc/72/45/94/555724594.db2.gz MQGMEZUMQICJGF-OAQYLSRUSA-N 1 0 459.615 4.699 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1Cl ZINC000020237375 555731556 /nfs/dbraw/zinc/73/15/56/555731556.db2.gz WMZHOVXCKPSJFK-UHFFFAOYSA-N 1 0 453.926 4.534 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)CC3)c(C)o2)cc1OC ZINC000020240688 555735847 /nfs/dbraw/zinc/73/58/47/555735847.db2.gz DCMPLSUFHVOKNO-KGVIQGDOSA-N 1 0 469.626 4.820 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241109 555736600 /nfs/dbraw/zinc/73/66/00/555736600.db2.gz WVTXSMZTLWVHPL-HXUWFJFHSA-N 1 0 475.655 4.671 50 0 JJAARO C[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C(=O)CNC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 ZINC000020241419 555736861 /nfs/dbraw/zinc/73/68/61/555736861.db2.gz CXRHZOAHPAZNFT-HBBDQGAXSA-N 1 0 466.453 4.624 50 0 JJAARO CCCCCCn1c(SCC(=O)NC2CC[NH+](CC)CC2)nnc1-c1ccc(Cl)cc1 ZINC000014249606 555752477 /nfs/dbraw/zinc/75/24/77/555752477.db2.gz JPGPVSAIWRYWGB-UHFFFAOYSA-N 1 0 464.079 4.871 50 0 JJAARO COc1ccc2c(c1)c([C@H](O)C[NH+]1CCN(c3ccccc3OC)CC1)c(C)n2Cc1ccccc1 ZINC000020328784 555774857 /nfs/dbraw/zinc/77/48/57/555774857.db2.gz NHTFXEHXFZTWHK-MUUNZHRXSA-N 1 0 485.628 4.871 50 0 JJAARO CCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000011614431 555791025 /nfs/dbraw/zinc/79/10/25/555791025.db2.gz RMRWJXAKORYUQN-QFIPXVFZSA-N 1 0 499.405 4.841 50 0 JJAARO COc1ccc(C[N@@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c2ccccc12 ZINC000011784997 555816939 /nfs/dbraw/zinc/81/69/39/555816939.db2.gz NHFZSCFXMPQIPJ-DVECYGJZSA-N 1 0 474.630 4.985 50 0 JJAARO Cc1cccc(CNC(=O)[C@@H]2CC23CC[NH+](Cc2cccc(OCc4ccccc4)c2)CC3)n1 ZINC000011786158 555818971 /nfs/dbraw/zinc/81/89/71/555818971.db2.gz KKTQOAXAKVQFBW-MHZLTWQESA-N 1 0 455.602 4.888 50 0 JJAARO COC(=O)c1c(NC(=O)c2ccco2)c2cc(NC3CC[NH+](C(C)C)CC3)cnc2n1CCC(C)C ZINC000014534061 555822486 /nfs/dbraw/zinc/82/24/86/555822486.db2.gz GPDYEWTZDOJHTD-UHFFFAOYSA-N 1 0 495.624 4.999 50 0 JJAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014536868 555826151 /nfs/dbraw/zinc/82/61/51/555826151.db2.gz NEUDSXPVOSAQBA-UHFFFAOYSA-N 1 0 487.648 4.841 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@H](C)CC(F)(F)F)CC2 ZINC000014538890 555828652 /nfs/dbraw/zinc/82/86/52/555828652.db2.gz RZMTYEKURFBUQW-LJQANCHMSA-N 1 0 491.554 4.816 50 0 JJAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cn(C)c4ccccc34)CC2)C1=O ZINC000014541778 555832373 /nfs/dbraw/zinc/83/23/73/555832373.db2.gz VJJDSRLJXYWDDM-UHFFFAOYSA-N 1 0 458.606 4.633 50 0 JJAARO CN(c1ccccc1)c1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cc1 ZINC000014542606 555833715 /nfs/dbraw/zinc/83/37/15/555833715.db2.gz QRIRRZRPBDVLHJ-UHFFFAOYSA-N 1 0 468.601 4.883 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2F)C1 ZINC000020599060 555840972 /nfs/dbraw/zinc/84/09/72/555840972.db2.gz BBYPMPHDHIKZNW-INIZCTEOSA-N 1 0 488.510 4.706 50 0 JJAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)cn1 ZINC000015000588 555845074 /nfs/dbraw/zinc/84/50/74/555845074.db2.gz JREHEUIYLUCZQT-YADHBBJMSA-N 1 0 479.650 4.630 50 0 JJAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000015000873 555845437 /nfs/dbraw/zinc/84/54/37/555845437.db2.gz RETPKTUMUYWYRW-GOSISDBHSA-N 1 0 491.979 4.866 50 0 JJAARO O=C(Cc1ccc(N2CCC([NH2+]CCc3ccc(C(F)(F)F)cc3)CC2)cc1)NCc1ccccn1 ZINC000015001989 555846925 /nfs/dbraw/zinc/84/69/25/555846925.db2.gz CGNVXPVPMYGKAM-UHFFFAOYSA-N 1 0 496.577 4.760 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020686598 555847194 /nfs/dbraw/zinc/84/71/94/555847194.db2.gz JNKMSEDHGGNYIG-OHUGHZGNSA-N 1 0 468.041 4.849 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1nc(-c2ccccc2)cs1 ZINC000015002730 555847656 /nfs/dbraw/zinc/84/76/56/555847656.db2.gz WUOHRMHJXFDGDO-LJQANCHMSA-N 1 0 484.021 4.906 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C4)cs1 ZINC000015002361 555847694 /nfs/dbraw/zinc/84/76/94/555847694.db2.gz XSOBRMXMUVHVQM-SJKOYZFVSA-N 1 0 472.586 4.758 50 0 JJAARO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3cccc(C(F)(F)F)c3)CC2)ccc1O ZINC000011882098 555850606 /nfs/dbraw/zinc/85/06/06/555850606.db2.gz BFBCSEMJIOVHDE-HXUWFJFHSA-N 1 0 462.512 4.728 50 0 JJAARO Cc1ccc([C@H](C)CC[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000015006636 555851221 /nfs/dbraw/zinc/85/12/21/555851221.db2.gz FCKUEOGLBRZELJ-QFQXNSOFSA-N 1 0 462.638 4.911 50 0 JJAARO CCOc1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)CC)[C@@H]3OCC)ccc1OC ZINC000011882426 555851342 /nfs/dbraw/zinc/85/13/42/555851342.db2.gz WMPJNBWBNWRFMI-SXOMAYOGSA-N 1 0 466.622 4.614 50 0 JJAARO CCOc1ccc(CN2CCOc3ccc(C[NH+]4CCC(Oc5cccnc5)CC4)cc3C2)cc1 ZINC000011912573 555861399 /nfs/dbraw/zinc/86/13/99/555861399.db2.gz NPESGWOCKFFQOS-UHFFFAOYSA-N 1 0 473.617 4.918 50 0 JJAARO CCC[C@@]1(C2CC[NH+](C[C@@H](C)CCC=C(C)C)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000011913198 555862854 /nfs/dbraw/zinc/86/28/54/555862854.db2.gz OSSHIFXNQLXSIX-CUNXSJBXSA-N 1 0 454.659 4.809 50 0 JJAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1Br ZINC000022029199 555864566 /nfs/dbraw/zinc/86/45/66/555864566.db2.gz RZGIHFNFDJZTCY-UHFFFAOYSA-N 1 0 464.407 4.795 50 0 JJAARO Cc1ccc(-c2ccnc(-n3ncc(C(=O)N[C@@H]4CCC[N@H+](Cc5ccccc5)C4)c3C3CC3)n2)o1 ZINC000011976886 555875797 /nfs/dbraw/zinc/87/57/97/555875797.db2.gz QVJADQQYDOUJKH-JOCHJYFZSA-N 1 0 482.588 4.503 50 0 JJAARO c1coc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@@H]3CCCO3)CC2)c1 ZINC000011998744 555881847 /nfs/dbraw/zinc/88/18/47/555881847.db2.gz REHUSFJEHWZTKU-QHCPKHFHSA-N 1 0 452.624 4.765 50 0 JJAARO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)c1 ZINC000015319157 555897307 /nfs/dbraw/zinc/89/73/07/555897307.db2.gz DDTOXYXZWVFIFO-UWJYYQICSA-N 1 0 488.510 4.845 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccccc1Br)c1nc2cc3c(cc2s1)OCO3 ZINC000012140875 555919714 /nfs/dbraw/zinc/91/97/14/555919714.db2.gz RFUISWJTHSCTJQ-UHFFFAOYSA-N 1 0 476.396 4.776 50 0 JJAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)s3)nc21 ZINC000012140975 555920450 /nfs/dbraw/zinc/92/04/50/555920450.db2.gz ZOWSPCDWUXDQMT-UHFFFAOYSA-N 1 0 454.415 4.727 50 0 JJAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc3cc(C)ccc3n(Cc3cccc(F)c3)c2=O)C1 ZINC000012150329 555922395 /nfs/dbraw/zinc/92/23/95/555922395.db2.gz OPAABTNXXXBJAO-JOCHJYFZSA-N 1 0 463.597 4.578 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCCCC3)CC2)cc1)N1CCC[C@@H](O)C1 ZINC000012151972 555925370 /nfs/dbraw/zinc/92/53/70/555925370.db2.gz YMVFNWUUUZIRJQ-MUUNZHRXSA-N 1 0 475.677 4.744 50 0 JJAARO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](C/C(C)=C/c5ccccc5)CC4)c3C2=O)cc1 ZINC000012165786 555932844 /nfs/dbraw/zinc/93/28/44/555932844.db2.gz ASBKHZYGYMUKCA-ZBJSNUHESA-N 1 0 481.596 4.717 50 0 JJAARO Cc1cccc(-n2ncc(C(=O)Nc3ccc(Br)cc3F)c2C2CC[NH2+]CC2)c1 ZINC000015726883 555965808 /nfs/dbraw/zinc/96/58/08/555965808.db2.gz GFDLPUSLCUIDEL-UHFFFAOYSA-N 1 0 457.347 4.802 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CC[NH+](Cc4ccccc4Cl)CC3)c21 ZINC000015727470 555966691 /nfs/dbraw/zinc/96/66/91/555966691.db2.gz TVHXBBLPVJXSPW-UHFFFAOYSA-N 1 0 456.974 4.994 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000015732338 555976612 /nfs/dbraw/zinc/97/66/12/555976612.db2.gz ZZQUJPOQCVHOTA-OAQYLSRUSA-N 1 0 492.689 4.925 50 0 JJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc(N2CCc3ccccc32)s1 ZINC000022937345 555990237 /nfs/dbraw/zinc/99/02/37/555990237.db2.gz YMFUOVITGPYAAE-UHFFFAOYSA-N 1 0 452.668 4.513 50 0 JJAARO CCOC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CC[NH2+]CC2)cc1 ZINC000015772716 555991933 /nfs/dbraw/zinc/99/19/33/555991933.db2.gz GUYVTYPBCJLMQT-UHFFFAOYSA-N 1 0 466.969 4.730 50 0 JJAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000022938724 555992293 /nfs/dbraw/zinc/99/22/93/555992293.db2.gz VONWHIAYBIHMQH-UHFFFAOYSA-N 1 0 451.517 4.634 50 0 JJAARO Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)ccc1F ZINC000012521201 555992655 /nfs/dbraw/zinc/99/26/55/555992655.db2.gz XHSRCUTVISFXIV-VWLOTQADSA-N 1 0 481.593 4.502 50 0 JJAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)c2)cc1F ZINC000012526433 555995072 /nfs/dbraw/zinc/99/50/72/555995072.db2.gz CKRKDGSRGPCCPY-UHFFFAOYSA-N 1 0 487.641 4.854 50 0 JJAARO COc1ccc(C[N@H+](CC(=O)Nc2ccc(N3CCCC3=O)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000023074284 556004508 /nfs/dbraw/zinc/00/45/08/556004508.db2.gz ZAOIMWQOKOOKGC-FQEVSTJZSA-N 1 0 477.630 4.955 50 0 JJAARO COC(=O)c1sc2nc(-c3ccccc3)nc(N3CC[NH+](Cc4ccccc4)CC3)c2c1C ZINC000015799530 556007727 /nfs/dbraw/zinc/00/77/27/556007727.db2.gz ACTJHZUDVVGGJW-UHFFFAOYSA-N 1 0 458.587 4.776 50 0 JJAARO CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2)cc1 ZINC000012536219 556009179 /nfs/dbraw/zinc/00/91/79/556009179.db2.gz UMBCYJBEMJQZHN-UHFFFAOYSA-N 1 0 499.677 4.805 50 0 JJAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)c2)on1 ZINC000015827736 556015028 /nfs/dbraw/zinc/01/50/28/556015028.db2.gz BXHHYCIYGWMYAW-UHFFFAOYSA-N 1 0 474.026 4.802 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856082 556024239 /nfs/dbraw/zinc/02/42/39/556024239.db2.gz RWXGYKPZZJZULC-UHFFFAOYSA-N 1 0 483.656 4.822 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cc2c(n1-c1ccc(C)cc1OC)-c1ccccc1OC2 ZINC000023449851 556064737 /nfs/dbraw/zinc/06/47/37/556064737.db2.gz QWGJFIICJJTHIP-QHCPKHFHSA-N 1 0 473.617 4.887 50 0 JJAARO Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccccn4)CC3)n2C[C@H]2CCCO2)cc1 ZINC000012571335 556073541 /nfs/dbraw/zinc/07/35/41/556073541.db2.gz YNYXXAUVHIYVLU-HSZRJFAPSA-N 1 0 467.614 4.663 50 0 JJAARO COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000012737976 556106540 /nfs/dbraw/zinc/10/65/40/556106540.db2.gz GGZUFRCNYVZJOE-DEOSSOPVSA-N 1 0 458.537 4.720 50 0 JJAARO COc1cc(C[NH2+]CC2(N(C)C)CCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000024081820 556120724 /nfs/dbraw/zinc/12/07/24/556120724.db2.gz WBFFRRLBDWLMAK-UHFFFAOYSA-N 1 0 453.627 4.602 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000012919415 556138447 /nfs/dbraw/zinc/13/84/47/556138447.db2.gz CCWOXRNCXQXGKI-UHFFFAOYSA-N 1 0 456.546 4.819 50 0 JJAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000024651684 556144052 /nfs/dbraw/zinc/14/40/52/556144052.db2.gz WETDSRUXWISGNG-SANMLTNESA-N 1 0 469.629 4.994 50 0 JJAARO CCCn1c(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024733919 556147386 /nfs/dbraw/zinc/14/73/86/556147386.db2.gz YJELPXSBJZEBQI-XMMPIXPASA-N 1 0 476.646 4.770 50 0 JJAARO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012932676 556148835 /nfs/dbraw/zinc/14/88/35/556148835.db2.gz PEFBEEUTZQVFCX-GCJKJVERSA-N 1 0 465.619 4.857 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012944966 556157139 /nfs/dbraw/zinc/15/71/39/556157139.db2.gz YKQMWODXLLUWKA-UHFFFAOYSA-N 1 0 450.586 4.993 50 0 JJAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184773 556203967 /nfs/dbraw/zinc/20/39/67/556203967.db2.gz GLZLEXLSPBJSHG-IXCJQBJRSA-N 1 0 471.004 4.996 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)[NH+]2CCCCC2)cc1 ZINC000013057517 556252651 /nfs/dbraw/zinc/25/26/51/556252651.db2.gz KIGXXKKELHFRNY-QHCPKHFHSA-N 1 0 463.603 4.966 50 0 JJAARO Cc1cccc(C)c1N1CC[NH+](C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000026571201 556257178 /nfs/dbraw/zinc/25/71/78/556257178.db2.gz BDOBHVZIKMBDNF-HSZRJFAPSA-N 1 0 469.423 4.781 50 0 JJAARO COc1cccc([C@H](CNC(=O)Cc2csc(-c3ccccc3Cl)n2)[NH+]2CCCC2)c1 ZINC000027341510 556276504 /nfs/dbraw/zinc/27/65/04/556276504.db2.gz FOEXGLQIRYNLRX-QFIPXVFZSA-N 1 0 456.011 4.968 50 0 JJAARO CCCCCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br ZINC000028252144 556326982 /nfs/dbraw/zinc/32/69/82/556326982.db2.gz MRCQVVOYZRUEGM-UHFFFAOYSA-N 1 0 461.466 4.606 50 0 JJAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cc(=O)c2ccc(Br)cc2o1 ZINC000028289891 556328042 /nfs/dbraw/zinc/32/80/42/556328042.db2.gz XUAAXHPVIUIHCF-KRWDZBQOSA-N 1 0 475.408 4.964 50 0 JJAARO c1c(C[NH2+]Cc2ccccc2CN2CCOCC2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000013118089 556330872 /nfs/dbraw/zinc/33/08/72/556330872.db2.gz GNHKKDLRBQWYKM-UHFFFAOYSA-N 1 0 452.602 4.720 50 0 JJAARO CCOC(=O)c1sc2ncnc(N3CC[NH+](Cc4csc5ccccc45)CC3)c2c1C ZINC000028620183 556337545 /nfs/dbraw/zinc/33/75/45/556337545.db2.gz XQWOXHPHFWGIOD-UHFFFAOYSA-N 1 0 452.605 4.713 50 0 JJAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cc5c(c(OC)c4)OCO5)CC3)ccc21 ZINC000019369740 556346557 /nfs/dbraw/zinc/34/65/57/556346557.db2.gz UEENNDJPNWUGFQ-UHFFFAOYSA-N 1 0 457.574 4.870 50 0 JJAARO COc1ccc(CCNC(=O)CC[N@H+]2Cc3ccccc3O[C@H](c3ccccc3F)C2)cc1OC ZINC000019743881 556365561 /nfs/dbraw/zinc/36/55/61/556365561.db2.gz XFBIRGQAJLGFSB-MHZLTWQESA-N 1 0 478.564 4.528 50 0 JJAARO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019758744 556366373 /nfs/dbraw/zinc/36/63/73/556366373.db2.gz YNKKMJRVRSSQJC-NRFANRHFSA-N 1 0 482.411 4.920 50 0 JJAARO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000019758748 556366451 /nfs/dbraw/zinc/36/64/51/556366451.db2.gz YNKKMJRVRSSQJC-OAQYLSRUSA-N 1 0 482.411 4.920 50 0 JJAARO Fc1ccc2c(c1)Sc1ccc(Cl)cc1C[C@H]2N1CC[NH+](CCC2OCCCO2)CC1 ZINC000019801730 556378687 /nfs/dbraw/zinc/37/86/87/556378687.db2.gz JWYXCBVKLJBFFZ-OAQYLSRUSA-N 1 0 463.018 4.998 50 0 JJAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]C[C@H](c3ccccc3)N3CCCCCC3)CC2)c1 ZINC000032590489 556447199 /nfs/dbraw/zinc/44/71/99/556447199.db2.gz JIAOVKJJCCBATO-HHHXNRCGSA-N 1 0 484.710 4.624 50 0 JJAARO CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)cc1 ZINC000032622680 556452316 /nfs/dbraw/zinc/45/23/16/556452316.db2.gz LYHMIPZCLIZABF-HSZRJFAPSA-N 1 0 475.589 4.977 50 0 JJAARO CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000032622853 556452725 /nfs/dbraw/zinc/45/27/25/556452725.db2.gz AONTWWBQTYIOMS-QHCPKHFHSA-N 1 0 484.980 4.741 50 0 JJAARO Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000032721461 556474950 /nfs/dbraw/zinc/47/49/50/556474950.db2.gz HCFGOBGSMZIVRR-JOCHJYFZSA-N 1 0 478.618 4.697 50 0 JJAARO NC(=O)N[C@@H](CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000032809340 556498960 /nfs/dbraw/zinc/49/89/60/556498960.db2.gz FUGFYHCMWBCDAR-SANMLTNESA-N 1 0 474.580 4.504 50 0 JJAARO COc1cc(CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C2CC2)ccc1OC(F)F ZINC000032933006 556548210 /nfs/dbraw/zinc/54/82/10/556548210.db2.gz CKMGFEIGFXNQSY-UHFFFAOYSA-N 1 0 459.537 4.635 50 0 JJAARO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2Cl)c1 ZINC000052509362 563204745 /nfs/dbraw/zinc/20/47/45/563204745.db2.gz APHGZZPEOCCYNO-UHFFFAOYSA-N 1 0 464.957 4.542 50 0 in-vitro JJAARO C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2Cl)c1 ZINC000052509388 563204772 /nfs/dbraw/zinc/20/47/72/563204772.db2.gz KIISCIGBPUVZBF-UHFFFAOYSA-N 1 0 481.025 4.901 50 0 in-vitro JJAARO CCCc1ccc(OC[C@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000008431546 569589594 /nfs/dbraw/zinc/58/95/94/569589594.db2.gz BSIRHHAHRSVQCP-XMMPIXPASA-N 1 0 486.612 4.540 50 0 JJAARO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CC[NH+](CCOc3cccc4ccccc43)CC2)n1 ZINC000054284463 569589782 /nfs/dbraw/zinc/58/97/82/569589782.db2.gz DTENYSCDBCTTHB-UHFFFAOYSA-N 1 0 466.589 4.557 50 0 JJAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c(C)c2)c1 ZINC000057222782 569594743 /nfs/dbraw/zinc/59/47/43/569594743.db2.gz JMASUTCMYVBEQO-UHFFFAOYSA-N 1 0 457.574 4.665 50 0 JJAARO CCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057222785 569594793 /nfs/dbraw/zinc/59/47/93/569594793.db2.gz NAPOMFZBGHUZOB-UHFFFAOYSA-N 1 0 457.574 4.610 50 0 JJAARO Cc1nnc(SCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)n1-c1ccccc1 ZINC000057270696 569595159 /nfs/dbraw/zinc/59/51/59/569595159.db2.gz SIRBZFCYPJBMQB-UHFFFAOYSA-N 1 0 498.656 4.629 50 0 JJAARO O=C(COCc1nc2ccccc2s1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057270685 569595189 /nfs/dbraw/zinc/59/51/89/569595189.db2.gz MDQQCDHFOXPWEG-UHFFFAOYSA-N 1 0 472.614 4.774 50 0 JJAARO COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000008718349 569597039 /nfs/dbraw/zinc/59/70/39/569597039.db2.gz PUNGQLJGVYKXNO-DEOSSOPVSA-N 1 0 474.536 4.847 50 0 JJAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000057383646 569599516 /nfs/dbraw/zinc/59/95/16/569599516.db2.gz LKDUTCIPMHJZIB-HNNXBMFYSA-N 1 0 451.910 4.610 50 0 JJAARO C[C@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2ccccc2c1 ZINC000057383300 569599555 /nfs/dbraw/zinc/59/95/55/569599555.db2.gz ASQQMFOBDAGJHN-KRWDZBQOSA-N 1 0 472.010 4.567 50 0 JJAARO COc1ccc(-c2nc(CC(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCCC3)cs2)cc1 ZINC000008726978 569600943 /nfs/dbraw/zinc/60/09/43/569600943.db2.gz RPYOTVJAZCSBJX-XMMPIXPASA-N 1 0 465.619 4.713 50 0 JJAARO Cc1sc2ncnc(N[C@H](C)C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2c1C ZINC000008735599 569601972 /nfs/dbraw/zinc/60/19/72/569601972.db2.gz HOOOWAQXSVEVQV-OAHLLOKOSA-N 1 0 458.031 4.543 50 0 JJAARO O=C(CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)NCCC[NH+]1CCCCCC1 ZINC000032975013 569605945 /nfs/dbraw/zinc/60/59/45/569605945.db2.gz XRDWBOSXURGBQF-UHFFFAOYSA-N 1 0 474.605 4.583 50 0 JJAARO CCn1c(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnc1-c1ccc(Cl)cc1Cl ZINC000032986419 569608884 /nfs/dbraw/zinc/60/88/84/569608884.db2.gz FVGAWRGZQVBUIE-GOSISDBHSA-N 1 0 490.460 4.755 50 0 JJAARO 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 569610067 /nfs/dbraw/zinc/61/00/67/569610067.db2.gz NWZOJQQDEHLRJJ-RMDVPPNSSA-N 1 0 491.591 4.626 50 0 biogenic JJAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000062733076 569614638 /nfs/dbraw/zinc/61/46/38/569614638.db2.gz UZAQIOKFBRZTCE-UHFFFAOYSA-N 1 0 485.563 4.769 50 0 JJAARO COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)cc1 ZINC000034679652 569642701 /nfs/dbraw/zinc/64/27/01/569642701.db2.gz AMQLMEYSLVHMSI-UHFFFAOYSA-N 1 0 485.628 4.687 50 0 JJAARO Cc1ccccc1S(=O)(=O)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccs2)CC1 ZINC000034683855 569644621 /nfs/dbraw/zinc/64/46/21/569644621.db2.gz ZRFBCQRCSOJNSA-UHFFFAOYSA-N 1 0 470.616 4.645 50 0 JJAARO O=C(Nc1ccc(F)cc1)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684537 569645026 /nfs/dbraw/zinc/64/50/26/569645026.db2.gz HBBOQSXPYWMOMZ-UHFFFAOYSA-N 1 0 470.548 4.973 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccc(C)cc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698437 569647771 /nfs/dbraw/zinc/64/77/71/569647771.db2.gz AFEZCAAHRZMFLY-SVEHJYQDSA-N 1 0 487.619 4.821 50 0 JJAARO O=C(CC1CCCC1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698378 569647803 /nfs/dbraw/zinc/64/78/03/569647803.db2.gz LNWPODKRODJBLZ-WNCULLNHSA-N 1 0 467.604 4.909 50 0 JJAARO O=C(CC1CCCC1)N1C[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698377 569647814 /nfs/dbraw/zinc/64/78/14/569647814.db2.gz LNWPODKRODJBLZ-HOFKKMOUSA-N 1 0 467.604 4.909 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698435 569647852 /nfs/dbraw/zinc/64/78/52/569647852.db2.gz LEHPGKBDUYXZKL-YWEHKCAJSA-N 1 0 473.592 4.512 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4ccccc4)C[C@H]3c3cccc(F)c3)CC2)c1 ZINC000034698436 569647871 /nfs/dbraw/zinc/64/78/71/569647871.db2.gz LEHPGKBDUYXZKL-CUBQBAPOSA-N 1 0 473.592 4.512 50 0 JJAARO COc1ccccc1[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1CN(Cc1ccccc1)C(=O)C(C)C ZINC000034699231 569648518 /nfs/dbraw/zinc/64/85/18/569648518.db2.gz WSLXXLUDWZREKZ-SQHAQQRYSA-N 1 0 459.634 4.934 50 0 JJAARO COc1ccccc1O[C@H](CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccc(F)c1 ZINC000034727767 569652953 /nfs/dbraw/zinc/65/29/53/569652953.db2.gz ZNPWBTFJVVFWIL-XMMPIXPASA-N 1 0 478.564 4.891 50 0 JJAARO CCCCOc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000065060044 569655112 /nfs/dbraw/zinc/65/51/12/569655112.db2.gz GNMHMDWIULOOQU-UHFFFAOYSA-N 1 0 463.622 4.894 50 0 JJAARO CC[NH+](CC)CCCNC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn21 ZINC000065061195 569655294 /nfs/dbraw/zinc/65/52/94/569655294.db2.gz HHSQSVDUXMDKID-UHFFFAOYSA-N 1 0 457.416 4.545 50 0 JJAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034830029 569663532 /nfs/dbraw/zinc/66/35/32/569663532.db2.gz SOJLYDRIXLJTLE-MUUNZHRXSA-N 1 0 487.669 4.633 50 0 JJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000034830378 569663842 /nfs/dbraw/zinc/66/38/42/569663842.db2.gz VSGIDOHNUYLSLK-WXVAWEFUSA-N 1 0 487.669 4.767 50 0 JJAARO CCCCNC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)[C@@H](C)CC ZINC000034832179 569664410 /nfs/dbraw/zinc/66/44/10/569664410.db2.gz JRPUYHGGLNAAOK-FQEVSTJZSA-N 1 0 472.653 4.572 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CCC(C)C)C(=O)NC(C)(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034832215 569664457 /nfs/dbraw/zinc/66/44/57/569664457.db2.gz PCQAKJDSRQIDAS-UHFFFAOYSA-N 1 0 468.690 4.679 50 0 JJAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nc2cc(C(C)(C)C)nn21 ZINC000034833615 569664639 /nfs/dbraw/zinc/66/46/39/569664639.db2.gz MEDGPLPMCCKFRY-IBGZPJMESA-N 1 0 465.642 4.943 50 0 JJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)C1CCCCC1 ZINC000034834627 569664740 /nfs/dbraw/zinc/66/47/40/569664740.db2.gz ZXPOUEYJSONCNP-UHFFFAOYSA-N 1 0 465.686 4.888 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)COc1ccccc1 ZINC000034834971 569664931 /nfs/dbraw/zinc/66/49/31/569664931.db2.gz RJRHLSRVMKDTIC-HSZRJFAPSA-N 1 0 489.664 4.529 50 0 JJAARO Cc1nn(-c2cccc(F)c2)c(N2CC[NH+](C(C)C)CC2)c1CN(C(=O)C1CCCC1)C(C)C ZINC000034835718 569665159 /nfs/dbraw/zinc/66/51/59/569665159.db2.gz PKLUTKIUHWYIFP-UHFFFAOYSA-N 1 0 469.649 4.777 50 0 JJAARO CC[NH+]1CCN(c2c(CN(Cc3ccncc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836371 569665376 /nfs/dbraw/zinc/66/53/76/569665376.db2.gz LPIQQEURYTVVGP-UHFFFAOYSA-N 1 0 464.633 4.515 50 0 JJAARO CCCc1nn(-c2cccc(F)c2)c(N2CC[NH+](CC)CC2)c1CN(CC)Cc1ccc(O)cc1 ZINC000034836594 569665513 /nfs/dbraw/zinc/66/55/13/569665513.db2.gz NNGIMQZUDJNCLN-UHFFFAOYSA-N 1 0 479.644 4.834 50 0 JJAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(Cc1ccccc1OC)C(C)C ZINC000034836799 569665963 /nfs/dbraw/zinc/66/59/63/569665963.db2.gz VFQDUVFBQIGYGW-UHFFFAOYSA-N 1 0 475.681 4.996 50 0 JJAARO CCCCn1c2ccccc2nc1N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000034909987 569671427 /nfs/dbraw/zinc/67/14/27/569671427.db2.gz WHBIXUDAUDJJHD-UHFFFAOYSA-N 1 0 473.665 4.834 50 0 JJAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000034912278 569671584 /nfs/dbraw/zinc/67/15/84/569671584.db2.gz QNTVOJMUKVCWGM-UHFFFAOYSA-N 1 0 488.459 4.669 50 0 JJAARO CCCCOc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)cc1 ZINC000034912296 569671646 /nfs/dbraw/zinc/67/16/46/569671646.db2.gz CHWMBYYRRSYNEN-UHFFFAOYSA-N 1 0 491.676 4.541 50 0 JJAARO CC[N@H+](CCCCCn1nnc(-c2ccccc2)n1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000065551082 569675734 /nfs/dbraw/zinc/67/57/34/569675734.db2.gz DUEXRKGGOCEEAD-UHFFFAOYSA-N 1 0 461.397 4.778 50 0 JJAARO C[C@@H]1C[NH+](CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@@H](C)O1 ZINC000065606742 569676360 /nfs/dbraw/zinc/67/63/60/569676360.db2.gz QIQAHTDQJPACTQ-WOJBJXKFSA-N 1 0 455.574 4.758 50 0 JJAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000067189422 569677220 /nfs/dbraw/zinc/67/72/20/569677220.db2.gz GMFSZWFKYGVOPH-IWNAYQHTSA-N 1 0 486.955 4.977 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(OC)cc1)=N2 ZINC000035372571 569683185 /nfs/dbraw/zinc/68/31/85/569683185.db2.gz RERSJSAPHKKANL-UHFFFAOYSA-N 1 0 464.635 4.697 50 0 JJAARO CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(OC)cc1)=N2 ZINC000035372716 569683215 /nfs/dbraw/zinc/68/32/15/569683215.db2.gz MKFFZVZPTDTOJV-UHFFFAOYSA-N 1 0 489.016 4.873 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Cl)cc1)=N2 ZINC000035372788 569683218 /nfs/dbraw/zinc/68/32/18/569683218.db2.gz YEDCWJQJAFQJOZ-UHFFFAOYSA-N 1 0 462.953 4.613 50 0 JJAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000035373593 569683796 /nfs/dbraw/zinc/68/37/96/569683796.db2.gz UFWXVCLMEWVEGE-UHFFFAOYSA-N 1 0 464.679 4.826 50 0 JJAARO COc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(C(C)(C)C)cc2)c1 ZINC000035397159 569687793 /nfs/dbraw/zinc/68/77/93/569687793.db2.gz XBENOMQVKYAZGL-UHFFFAOYSA-N 1 0 478.662 4.988 50 0 JJAARO CN(CC[C@H]1CCCCO1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000067726436 569690894 /nfs/dbraw/zinc/69/08/94/569690894.db2.gz NVPWLQKNSKYGLK-RUZDIDTESA-N 1 0 450.623 4.804 50 0 JJAARO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCCCC1 ZINC000069930253 569693928 /nfs/dbraw/zinc/69/39/28/569693928.db2.gz JTNMSAQRKXPJKW-OAQYLSRUSA-N 1 0 487.641 4.630 50 0 JJAARO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035454167 569697461 /nfs/dbraw/zinc/69/74/61/569697461.db2.gz RDHGANXPSWXRPB-OALUTQOASA-N 1 0 473.061 4.690 50 0 JJAARO CC[NH+](CC)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccc(C(C)(C)C)cc1 ZINC000035671286 569706102 /nfs/dbraw/zinc/70/61/02/569706102.db2.gz PCKYWVAUECIDBR-QGZVFWFLSA-N 1 0 470.664 4.883 50 0 JJAARO CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000078718300 569706402 /nfs/dbraw/zinc/70/64/02/569706402.db2.gz DSYAOLSAEKBHNK-LJQANCHMSA-N 1 0 469.630 4.764 50 0 JJAARO O=C(COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079191011 569707129 /nfs/dbraw/zinc/70/71/29/569707129.db2.gz PWZZUQJEROFAAU-GBXCKJPGSA-N 1 0 480.992 4.873 50 0 biogenic JJAARO Cc1coc2c1cc1c(C)c(CCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(=O)oc1c2C ZINC000079191484 569707141 /nfs/dbraw/zinc/70/71/41/569707141.db2.gz FUUUQBVLQWCMLJ-WMZHIEFXSA-N 1 0 450.579 4.778 50 0 biogenic JJAARO Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@@H+](CCc2c(C)nc3c(C)cccn3c2=O)C1 ZINC000085393511 569710147 /nfs/dbraw/zinc/71/01/47/569710147.db2.gz VROKNDJWKJXDEJ-UHFFFAOYSA-N 1 0 491.639 4.813 50 0 JJAARO Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)C(C)(C)C ZINC000035774502 569710875 /nfs/dbraw/zinc/71/08/75/569710875.db2.gz UCWPXRCJHILYJE-UHFFFAOYSA-N 1 0 455.668 4.556 50 0 JJAARO COc1ccc(NC(=O)[C@@H]2C[C@H](Cc3ccccc3)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1 ZINC000035808738 569712133 /nfs/dbraw/zinc/71/21/33/569712133.db2.gz NRKJPEUBGHBDRE-JNMBUGSCSA-N 1 0 475.976 4.664 50 0 JJAARO Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000085653659 569714312 /nfs/dbraw/zinc/71/43/12/569714312.db2.gz NBHUPRZYOYGOLX-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000085875156 569715658 /nfs/dbraw/zinc/71/56/58/569715658.db2.gz MKFJWLKOAYMVFQ-QFBILLFUSA-N 1 0 461.393 4.635 50 0 biogenic JJAARO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1Cl ZINC000085902140 569716470 /nfs/dbraw/zinc/71/64/70/569716470.db2.gz OPBJBEMLGNCPSE-VWLOTQADSA-N 1 0 474.004 4.688 50 0 JJAARO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871987 569719059 /nfs/dbraw/zinc/71/90/59/569719059.db2.gz FGZPFPWWKCLIKZ-XUZZJYLKSA-N 1 0 475.530 4.766 50 0 JJAARO CCn1cc([C@@H](CC(=O)NCC[NH+]2CCCCC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000035872309 569719239 /nfs/dbraw/zinc/71/92/39/569719239.db2.gz HAQQGHHJCVGWFF-VWLOTQADSA-N 1 0 463.622 4.803 50 0 JJAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908082 569723732 /nfs/dbraw/zinc/72/37/32/569723732.db2.gz BFKXPQQAJYTDHD-LADGPHEKSA-N 1 0 475.530 4.766 50 0 JJAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000095473730 569723987 /nfs/dbraw/zinc/72/39/87/569723987.db2.gz WUQJPSSCORMYMZ-OAQYLSRUSA-N 1 0 454.526 4.911 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]1[C@H](C(=O)NCCc1cccs1)C2 ZINC000035911138 569726397 /nfs/dbraw/zinc/72/63/97/569726397.db2.gz BJBXHKUAPONEOC-AOYPEHQESA-N 1 0 496.076 4.632 50 0 JJAARO CC(C)CC[N@@H+]1CCCN(c2nc(Cc3ccccc3)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925675 569728970 /nfs/dbraw/zinc/72/89/70/569728970.db2.gz CERHOCJGDJWFLJ-UHFFFAOYSA-N 1 0 454.622 4.965 50 0 JJAARO Nc1c2c(nn1-c1ccc(C(F)(F)F)cc1)nc(NCC[NH+]1CCCC1)nc2-c1ccccc1 ZINC000035929592 569731394 /nfs/dbraw/zinc/73/13/94/569731394.db2.gz KYYQDGLWHHPIGU-UHFFFAOYSA-N 1 0 467.499 4.591 50 0 JJAARO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)cc1 ZINC000035930036 569731540 /nfs/dbraw/zinc/73/15/40/569731540.db2.gz XSIMINOPEBPOBS-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO C[C@@H]1CN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccc(Cl)cc2)C[C@@H](C)[NH2+]1 ZINC000096592311 569742044 /nfs/dbraw/zinc/74/20/44/569742044.db2.gz BGHPXZSKRHBIMS-ZIAGYGMSSA-N 1 0 458.791 4.808 50 0 JJAARO Cc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)N3CCCC3)CC2)cc1 ZINC000036001674 569746115 /nfs/dbraw/zinc/74/61/15/569746115.db2.gz OGUKHHYYFVYFRX-UHFFFAOYSA-N 1 0 482.628 4.806 50 0 JJAARO CC[C@H](NC(=O)Cc1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048331 569755937 /nfs/dbraw/zinc/75/59/37/569755937.db2.gz UULIMZKPEUSURA-SVEHJYQDSA-N 1 0 458.602 4.941 50 0 JJAARO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036313974 569761681 /nfs/dbraw/zinc/76/16/81/569761681.db2.gz BEKZBEUGTBBOBI-QHCPKHFHSA-N 1 0 485.600 4.645 50 0 JJAARO CC(C)OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C1CC1 ZINC000036316183 569762336 /nfs/dbraw/zinc/76/23/36/569762336.db2.gz NAAAXKDGLFLZIZ-NRFANRHFSA-N 1 0 453.558 4.769 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316467 569762994 /nfs/dbraw/zinc/76/29/94/569762994.db2.gz UXPVYNFMKYBTOM-OAQYLSRUSA-N 1 0 455.574 4.974 50 0 JJAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2F)CC1 ZINC000036340402 569763813 /nfs/dbraw/zinc/76/38/13/569763813.db2.gz XIYDIZSBUCYBCB-DEOSSOPVSA-N 1 0 462.613 4.855 50 0 JJAARO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000036343215 569766287 /nfs/dbraw/zinc/76/62/87/569766287.db2.gz NKCGNOWARORXHG-XMMPIXPASA-N 1 0 453.558 4.785 50 0 JJAARO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000036344048 569766685 /nfs/dbraw/zinc/76/66/85/569766685.db2.gz LFAISJGGIPBSCK-VWLOTQADSA-N 1 0 465.594 4.512 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CC[N@@H+]1CCCC[C@H]1C)C3=O ZINC000037006510 569780983 /nfs/dbraw/zinc/78/09/83/569780983.db2.gz DFZWUBQPEXQPLL-PBBNMVCDSA-N 1 0 494.680 4.578 50 0 JJAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](Cc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037360319 569784085 /nfs/dbraw/zinc/78/40/85/569784085.db2.gz XGFJBUNCDIXKOS-UHFFFAOYSA-N 1 0 493.590 4.585 50 0 JJAARO CCC[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccc(F)cc2)nc2cc(C)c(C)cc21 ZINC000037396960 569786504 /nfs/dbraw/zinc/78/65/04/569786504.db2.gz DQTXYWWGHNOBQC-XMMPIXPASA-N 1 0 450.602 4.936 50 0 JJAARO CC[C@H](C(=O)NCC[NH+](C)C)N(c1nc(-c2ccc(F)cc2)cs1)c1ccc(OC)cc1 ZINC000037438756 569790490 /nfs/dbraw/zinc/79/04/90/569790490.db2.gz FDDIUXTUCRPGGC-JOCHJYFZSA-N 1 0 456.587 4.552 50 0 JJAARO Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037547162 569794468 /nfs/dbraw/zinc/79/44/68/569794468.db2.gz YLGBXVSAMGUSSW-UHFFFAOYSA-N 1 0 450.558 4.565 50 0 JJAARO Cc1ccccc1C(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCC[NH+]2CCCC2)c1 ZINC000037600818 569797068 /nfs/dbraw/zinc/79/70/68/569797068.db2.gz HQPDHYYNSKCUSI-UHFFFAOYSA-N 1 0 455.602 4.597 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@H](c1ccsc1)Sc1ccccc1-2 ZINC000039358026 569809478 /nfs/dbraw/zinc/80/94/78/569809478.db2.gz CBMZHJDZUYEJHJ-NTKDMRAZSA-N 1 0 479.671 4.811 50 0 JJAARO Cc1ccc(N2C(=O)C[C@H](C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)[C@@H]2c2cccs2)cc1 ZINC000039563901 569810801 /nfs/dbraw/zinc/81/08/01/569810801.db2.gz XEPAUBYDQBQTST-WIOPSUGQSA-N 1 0 453.652 4.730 50 0 JJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCCC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102746836 569820188 /nfs/dbraw/zinc/82/01/88/569820188.db2.gz HOTRTGXIJZRNPS-RUZDIDTESA-N 1 0 496.677 4.550 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355918 569823977 /nfs/dbraw/zinc/82/39/77/569823977.db2.gz JBGWYLWOCXOQKZ-UHFFFAOYSA-N 1 0 488.535 4.809 50 0 JJAARO O=C(Nc1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1)c1ccc(Cl)cc1Cl ZINC000040355820 569824028 /nfs/dbraw/zinc/82/40/28/569824028.db2.gz BESASRVHRPYFEI-UHFFFAOYSA-N 1 0 467.422 4.793 50 0 JJAARO Clc1ccc(Cc2nc3nc4c(c(N5CC[NH+](Cc6ccccc6)CC5)n3n2)CCCC4)cc1 ZINC000046022950 569842524 /nfs/dbraw/zinc/84/25/24/569842524.db2.gz OQFNIWBVXMIRKG-UHFFFAOYSA-N 1 0 473.024 4.570 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982896 569847937 /nfs/dbraw/zinc/84/79/37/569847937.db2.gz HQCFRKHXPZRMPJ-FGZHOGPDSA-N 1 0 451.394 4.775 50 0 JJAARO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@H+](C[C@@H](O)Cc4ccccc4)CC3)nc2)cc1 ZINC000105032368 569851436 /nfs/dbraw/zinc/85/14/36/569851436.db2.gz KDGZQBGISBPHMU-MHZLTWQESA-N 1 0 486.660 4.747 50 0 JJAARO C[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000105868457 569853506 /nfs/dbraw/zinc/85/35/06/569853506.db2.gz KIXILYUQJBABJZ-RTBURBONSA-N 1 0 473.061 4.548 50 0 JJAARO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169677151 569868552 /nfs/dbraw/zinc/86/85/52/569868552.db2.gz XOYBHBJCMBJACM-NOZRDPDXSA-N 1 0 450.966 4.775 50 0 JJAARO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169677751 569868902 /nfs/dbraw/zinc/86/89/02/569868902.db2.gz YPEURFYYLXTQCU-UPVQGACJSA-N 1 0 473.539 4.958 50 0 JJAARO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677740 569868912 /nfs/dbraw/zinc/86/89/12/569868912.db2.gz KXICAUUNWVOIRH-NOZRDPDXSA-N 1 0 471.567 4.670 50 0 JJAARO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679605 569869879 /nfs/dbraw/zinc/86/98/79/569869879.db2.gz OLEFIVVIZBOOFM-UPVQGACJSA-N 1 0 487.497 4.617 50 0 JJAARO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccco3)C2)cc1 ZINC000169679917 569870136 /nfs/dbraw/zinc/87/01/36/569870136.db2.gz DGCCVKRRKORTGX-RDGATRHJSA-N 1 0 484.980 4.515 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000245279095 570061310 /nfs/dbraw/zinc/06/13/10/570061310.db2.gz CAZSQENHHXTWGH-FYYLOGMGSA-N 1 0 461.002 4.520 50 0 JJAARO CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000245276899 570061409 /nfs/dbraw/zinc/06/14/09/570061409.db2.gz ZGYBONLZZLLUEJ-QUCCMNQESA-N 1 0 454.640 4.642 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000245280359 570061965 /nfs/dbraw/zinc/06/19/65/570061965.db2.gz OASXBLJLLFEGDY-UKILVPOCSA-N 1 0 479.621 4.566 50 0 JJAARO CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)CC ZINC000245326081 570064493 /nfs/dbraw/zinc/06/44/93/570064493.db2.gz DBNWJYYACMNNQO-GREBRCKQSA-N 1 0 462.631 4.511 50 0 JJAARO CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000245329222 570066103 /nfs/dbraw/zinc/06/61/03/570066103.db2.gz RNSDBVZTVJTLIY-AOYPEHQESA-N 1 0 479.621 4.660 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000245330434 570066827 /nfs/dbraw/zinc/06/68/27/570066827.db2.gz YNUDKDOMOIZYGL-FCHUYYIVSA-N 1 0 467.683 4.615 50 0 JJAARO COC(=O)CC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867703 570070270 /nfs/dbraw/zinc/07/02/70/570070270.db2.gz YLTSIGBAKSDRNV-RCZVLFRGSA-N 1 0 489.582 4.671 50 0 JJAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)cc1C ZINC000247983427 570072029 /nfs/dbraw/zinc/07/20/29/570072029.db2.gz HVGWNACFHCAUSV-DEOSSOPVSA-N 1 0 473.665 4.795 50 0 JJAARO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248003477 570072480 /nfs/dbraw/zinc/07/24/80/570072480.db2.gz GLZLEXLSPBJSHG-XCZPVHLTSA-N 1 0 471.004 4.996 50 0 JJAARO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248012722 570072719 /nfs/dbraw/zinc/07/27/19/570072719.db2.gz RVQWCARPDQPFEX-QGZVFWFLSA-N 1 0 455.400 4.526 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)nc3ccccc32)cc1 ZINC000248125227 570074810 /nfs/dbraw/zinc/07/48/10/570074810.db2.gz WNXQXHWQJYETPV-VWLOTQADSA-N 1 0 482.628 4.930 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+]2CCCC[C@H]2C)[C@H]1c1cccs1 ZINC000248225017 570076263 /nfs/dbraw/zinc/07/62/63/570076263.db2.gz IXLVEQSAEAXYGF-VEXUSMLFSA-N 1 0 453.652 4.675 50 0 JJAARO 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 570076972 /nfs/dbraw/zinc/07/69/72/570076972.db2.gz KXPQUHHNPNEABT-VPBXCIAMSA-N 1 0 450.538 4.970 50 0 JJAARO CCCCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(OC)cc2)C1 ZINC000248273854 570077208 /nfs/dbraw/zinc/07/72/08/570077208.db2.gz XJUSFFHBGJZKAQ-HSZRJFAPSA-N 1 0 462.638 4.954 50 0 JJAARO CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(NC(=O)NCCN3CCOCC3)cc2)CC1 ZINC000252512139 570082725 /nfs/dbraw/zinc/08/27/25/570082725.db2.gz NCDSTHWPGITYFS-OKDASEJXSA-N 1 0 499.055 4.592 50 0 JJAARO Clc1ccc(Cn2nc(C[NH2+]CCOc3ccccn3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261491668 570169868 /nfs/dbraw/zinc/16/98/68/570169868.db2.gz BTBXEEYIOZIWOB-UHFFFAOYSA-N 1 0 454.361 4.864 50 0 JJAARO Fc1ccc(Cn2nc(C[NH2+]CCCOc3ccccn3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492651 570170226 /nfs/dbraw/zinc/17/02/26/570170226.db2.gz YFULQPLPNQHZKV-UHFFFAOYSA-N 1 0 451.933 4.740 50 0 JJAARO CCc1ccc(Oc2cc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)ncn2)cc1 ZINC000263618240 570173404 /nfs/dbraw/zinc/17/34/04/570173404.db2.gz RWPXEGQBWHRQCG-UHFFFAOYSA-N 1 0 499.659 4.829 50 0 JJAARO O=C(Nc1cccc(N2CCC([NH2+]CC3(c4ccccc4)CCOCC3)CC2)c1)c1ccncc1 ZINC000299770899 570175772 /nfs/dbraw/zinc/17/57/72/570175772.db2.gz RXURWBLTITXAEN-UHFFFAOYSA-N 1 0 470.617 4.641 50 0 JJAARO Cc1ccc2[nH]c([C@@H](C)[NH2+]C3CCN(c4cccc(NC(=O)c5ccncc5)c4)CC3)nc2c1 ZINC000299802311 570177603 /nfs/dbraw/zinc/17/76/03/570177603.db2.gz YRFXKSAVVKKHLO-LJQANCHMSA-N 1 0 454.578 4.838 50 0 JJAARO c1sc2nc(-c3ccccn3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000024153759 721918448 /nfs/dbraw/zinc/91/84/48/721918448.db2.gz XKQKYUNZSKVFRB-HXUWFJFHSA-N 1 0 457.603 4.721 50 0 JJAARO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000019632618 341977388 /nfs/dbraw/zinc/97/73/88/341977388.db2.gz KTUFNOKKBVMGRW-UHFFFAOYSA-N 1 0 493.615 4.590 50 0 aggregator,fda JJAARO FC(F)(F)C(Oc1nc(N(c2ccccc2)c2ccccc2)nc(N2CC[NH2+]CC2)n1)C(F)(F)F ZINC000001511301 194126856 /nfs/dbraw/zinc/12/68/56/194126856.db2.gz OHEDDSPKAUYMBH-UHFFFAOYSA-N 1 0 498.431 4.623 50 0 JJAARO O[C@]1(c2ccc(Br)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000001909239 194155001 /nfs/dbraw/zinc/15/50/01/194155001.db2.gz QPLVVMDBCXGBJJ-FQEVSTJZSA-N 1 0 465.209 4.862 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc21 ZINC000002246450 194158607 /nfs/dbraw/zinc/15/86/07/194158607.db2.gz STFNAPXAWAEXNC-UHFFFAOYSA-N 1 0 458.400 4.782 50 0 JJAARO CC[NH+](CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O ZINC000002961790 194181891 /nfs/dbraw/zinc/18/18/91/194181891.db2.gz ZUMNHRGDKJNTOO-UHFFFAOYSA-N 1 0 484.622 4.823 50 0 JJAARO C[NH+](C)CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 ZINC000003326908 194283773 /nfs/dbraw/zinc/28/37/73/194283773.db2.gz QBXIEOUZZFSHNN-UHFFFAOYSA-N 1 0 453.555 4.999 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]Cc3ccco3)cc21 ZINC000003628255 194343464 /nfs/dbraw/zinc/34/34/64/194343464.db2.gz WXRDFYKOHODQLI-NRFANRHFSA-N 1 0 462.546 4.547 50 0 JJAARO O[C@H](C[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21 ZINC000003642088 194347441 /nfs/dbraw/zinc/34/74/41/194347441.db2.gz VXIGQWPVDNLYMN-SZPZYZBQSA-N 1 0 463.581 4.914 50 0 JJAARO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000004016812 194369936 /nfs/dbraw/zinc/36/99/36/194369936.db2.gz XFKZJHALBQTHGK-INIZCTEOSA-N 1 0 478.376 4.947 50 0 JJAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(C)o2)cc1 ZINC000004056502 194372800 /nfs/dbraw/zinc/37/28/00/194372800.db2.gz BSPULXJCEQFCTG-UHFFFAOYSA-N 1 0 472.633 4.773 50 0 JJAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCCCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004757251 194394844 /nfs/dbraw/zinc/39/48/44/194394844.db2.gz WCXSSQGAMKXNHN-BDYUSTAISA-N 1 0 481.612 4.701 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757258 194394850 /nfs/dbraw/zinc/39/48/50/194394850.db2.gz AKOLLWXEYMJPOJ-AOYPEHQESA-N 1 0 469.601 4.557 50 0 JJAARO O=C(COc1ccccc1)Nc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000009265474 194647815 /nfs/dbraw/zinc/64/78/15/194647815.db2.gz DCAYNHBLSRTDHX-UHFFFAOYSA-N 1 0 461.562 4.541 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433451 194779449 /nfs/dbraw/zinc/77/94/49/194779449.db2.gz CLQXFPIAKJYUDT-BJKOFHAPSA-N 1 0 453.652 4.820 50 0 JJAARO O=C(C(c1ccccc1)c1ccccc1)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000009933529 195025514 /nfs/dbraw/zinc/02/55/14/195025514.db2.gz XBAHSKFRQJEYQU-UHFFFAOYSA-N 1 0 453.630 4.627 50 0 JJAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000009942496 195029948 /nfs/dbraw/zinc/02/99/48/195029948.db2.gz PKFXDZOKETUTCI-UHFFFAOYSA-N 1 0 450.583 4.848 50 0 JJAARO COc1ccccc1N1CCN(c2c(C(=O)c3ccccc3)c[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000009969115 195042155 /nfs/dbraw/zinc/04/21/55/195042155.db2.gz BPZRIOSUQFOJGC-UHFFFAOYSA-N 1 0 483.568 4.818 50 0 JJAARO CCOC(=O)C1CC[NH+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CC1 ZINC000012594293 195043012 /nfs/dbraw/zinc/04/30/12/195043012.db2.gz BPFBPYLSLUCLBJ-UHFFFAOYSA-N 1 0 451.542 4.771 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)[NH+](C)C)c1 ZINC000012745500 195102145 /nfs/dbraw/zinc/10/21/45/195102145.db2.gz MRYQMFKMMGWDQI-VWLOTQADSA-N 1 0 470.573 4.589 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O)[NH+]1CCCC1 ZINC000012748965 195104134 /nfs/dbraw/zinc/10/41/34/195104134.db2.gz RHKHJXJFSJLANN-AREMUKBSSA-N 1 0 497.595 4.680 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000012778623 195122724 /nfs/dbraw/zinc/12/27/24/195122724.db2.gz ZVCBNMGLISZUFL-UNMCSNQZSA-N 1 0 462.059 4.745 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)[NH+]1CCCC1 ZINC000012801435 195139343 /nfs/dbraw/zinc/13/93/43/195139343.db2.gz FSCMVUFEMZIDSB-JTHBVZDNSA-N 1 0 492.447 4.710 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccc(OC)c2)[NH+](C)C)cc1 ZINC000012803220 195140516 /nfs/dbraw/zinc/14/05/16/195140516.db2.gz HPSOPBQTTCSVLO-MHZLTWQESA-N 1 0 484.600 4.648 50 0 JJAARO CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4C[C@H]5CC[C@@H](C4)[N@H+]5C)cc3n2)cc1 ZINC000020614051 195186265 /nfs/dbraw/zinc/18/62/65/195186265.db2.gz IQFVCEPMDCIJEB-YQQQUEKLSA-N 1 0 471.527 4.894 50 0 JJAARO O=C(CCc1cn(C[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCCC1 ZINC000020624365 195191109 /nfs/dbraw/zinc/19/11/09/195191109.db2.gz RIJPBMIDUZQLQG-UHFFFAOYSA-N 1 0 473.646 4.586 50 0 JJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2c3ccccc3S/C(=C\c3ccccc3)C2=O)C1 ZINC000020726776 195207871 /nfs/dbraw/zinc/20/78/71/195207871.db2.gz OFVOCCGLUVDJGB-QQSMMYNNSA-N 1 0 463.647 4.651 50 0 JJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[N@H+]4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000020734090 195211853 /nfs/dbraw/zinc/21/18/53/195211853.db2.gz KQEHRABQPQLMIM-RBHPVMCRSA-N 1 0 479.646 4.878 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1ccc(OC)cc1)S2 ZINC000020734048 195211859 /nfs/dbraw/zinc/21/18/59/195211859.db2.gz GRTRZCIZYHKVTP-JJIBRWJFSA-N 1 0 467.635 4.657 50 0 JJAARO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020828511 195229787 /nfs/dbraw/zinc/22/97/87/195229787.db2.gz IWHRYGPUHFABFD-UHFFFAOYSA-N 1 0 494.595 4.589 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000020904441 195244552 /nfs/dbraw/zinc/24/45/52/195244552.db2.gz AVHTWHIWIGFGDG-RPWUZVMVSA-N 1 0 453.652 4.677 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000020904461 195244874 /nfs/dbraw/zinc/24/48/74/195244874.db2.gz XPBMPFYSONURIG-ZEQRLZLVSA-N 1 0 451.636 4.574 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccccc3NC(=O)C3=C(C)OCCS3)CC2)cc1 ZINC000020919692 195247375 /nfs/dbraw/zinc/24/73/75/195247375.db2.gz KTCMVNSSIZNZGO-UHFFFAOYSA-N 1 0 479.646 4.570 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000020861824 195233644 /nfs/dbraw/zinc/23/36/44/195233644.db2.gz SKVKAMZWQCZCPT-VWLOTQADSA-N 1 0 473.665 4.518 50 0 JJAARO Cc1cccc(C[N@H+]2CC=C(c3noc(CCC(=O)NCCc4ccc(Cl)cc4)n3)CC2)c1 ZINC000021103359 195276777 /nfs/dbraw/zinc/27/67/77/195276777.db2.gz RFWRDNVAXJPWQV-UHFFFAOYSA-N 1 0 464.997 4.612 50 0 JJAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3CCN(c4nc(-c5ccc(Cl)cc5)no4)CC3)C2)cc1 ZINC000021103416 195276798 /nfs/dbraw/zinc/27/67/98/195276798.db2.gz RHKKGSDONBQDAG-OAQYLSRUSA-N 1 0 494.039 4.553 50 0 JJAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccnn1C1CCCC1)C(C)C ZINC000021284810 195293266 /nfs/dbraw/zinc/29/32/66/195293266.db2.gz DXZGJAVZHGALMC-UHFFFAOYSA-N 1 0 496.681 4.558 50 0 JJAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCCC2)cc1 ZINC000021351913 195296825 /nfs/dbraw/zinc/29/68/25/195296825.db2.gz JWLCGPOJLBZTIN-QHCPKHFHSA-N 1 0 461.562 4.768 50 0 JJAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCC(C)CC2)N(CC[NH+](CC)CC)C3=O)s1 ZINC000021526089 195304919 /nfs/dbraw/zinc/30/49/19/195304919.db2.gz KYWIBCUOQIUMFK-CPHAMLGRSA-N 1 0 472.699 4.516 50 0 JJAARO CC(C)([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000058344187 195378195 /nfs/dbraw/zinc/37/81/95/195378195.db2.gz JPAHVMQGJGIJNL-UHFFFAOYSA-N 1 0 450.320 4.767 50 0 JJAARO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000058157692 195367719 /nfs/dbraw/zinc/36/77/19/195367719.db2.gz ATLFTJAXKUHMBH-SANMLTNESA-N 1 0 473.642 4.524 50 0 JJAARO CCOC(=O)c1sc2nc(C)nc(N[C@H](C[N@H+](C)C3CCN(C)CC3)c3ccccc3)c2c1C ZINC000058160025 195368342 /nfs/dbraw/zinc/36/83/42/195368342.db2.gz ZWKCMAIJESXFGB-OAQYLSRUSA-N 1 0 481.666 4.664 50 0 JJAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@@H](C)O1 ZINC000058162839 195369399 /nfs/dbraw/zinc/36/93/99/195369399.db2.gz USRYDXBWELCXLL-REHUZNOOSA-N 1 0 481.641 4.740 50 0 JJAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2Cn2nc(-c3ccccc3)n(-c3ccc(F)cc3)c2=S)C[C@H](C)O1 ZINC000058162837 195369419 /nfs/dbraw/zinc/36/94/19/195369419.db2.gz USRYDXBWELCXLL-ROKPMTFOSA-N 1 0 481.641 4.740 50 0 JJAARO COc1ccc(-c2csc3ncnc(NCCC[NH+]4CCN(c5ccccc5)CC4)c23)cc1 ZINC000021643243 195319110 /nfs/dbraw/zinc/31/91/10/195319110.db2.gz UDCVYSKMOSKNFW-UHFFFAOYSA-N 1 0 459.619 4.991 50 0 JJAARO C[C@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290449 130039812 /nfs/dbraw/zinc/03/98/12/130039812.db2.gz UOXUYEXXSQJXRF-OAHLLOKOSA-N 1 0 463.384 4.846 50 0 JJAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014732994 519719469 /nfs/dbraw/zinc/71/94/69/519719469.db2.gz NQAREZPBUVQLLT-DQEYMECFSA-N 1 0 478.681 4.761 50 0 JJAARO CC(=O)Nc1ccc(NC(=O)Cn2cc(-c3nnc(C[NH+]4CCC(C)CC4)o3)c3ccccc32)cc1 ZINC000033129390 519723077 /nfs/dbraw/zinc/72/30/77/519723077.db2.gz OWCNIQJLHWUHMV-UHFFFAOYSA-N 1 0 486.576 4.520 50 0 JJAARO CC(C)c1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1nccc(-c2cccs2)n1 ZINC000014993856 519830626 /nfs/dbraw/zinc/83/06/26/519830626.db2.gz MBFONJLAZUGEFV-UHFFFAOYSA-N 1 0 486.645 4.909 50 0 JJAARO CCCC(=O)OC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307731 519880783 /nfs/dbraw/zinc/88/07/83/519880783.db2.gz HKQQXNUHUKYEOK-QFIPXVFZSA-N 1 0 483.584 4.935 50 0 JJAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036306540 520090042 /nfs/dbraw/zinc/09/00/42/520090042.db2.gz OASXBLJLLFEGDY-ZCYQVOJMSA-N 1 0 479.621 4.566 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307352 520153855 /nfs/dbraw/zinc/15/38/55/520153855.db2.gz XKHAFMFFBDUQOW-JOCHJYFZSA-N 1 0 453.558 4.628 50 0 JJAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000012412374 520473201 /nfs/dbraw/zinc/47/32/01/520473201.db2.gz QBPUQGAMYQQEQM-UHFFFAOYSA-N 1 0 464.484 4.511 50 0 JJAARO CCOC(=O)C1C(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412501 520520280 /nfs/dbraw/zinc/52/02/80/520520280.db2.gz XDRMFTDUKASQOT-YFGCWATCSA-N 1 0 465.638 4.669 50 0 JJAARO CCOC(=O)C1C(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412495 520520385 /nfs/dbraw/zinc/52/03/85/520520385.db2.gz XDRMFTDUKASQOT-DQKMOBTKSA-N 1 0 465.638 4.669 50 0 JJAARO CCCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1OC ZINC000022696231 520559107 /nfs/dbraw/zinc/55/91/07/520559107.db2.gz AOWAEJRCZRNETF-NAKRPHOHSA-N 1 0 477.649 4.687 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000002890271 520604515 /nfs/dbraw/zinc/60/45/15/520604515.db2.gz DYNVRHPCEHUSAO-NRFANRHFSA-N 1 0 487.369 4.972 50 0 JJAARO CC[NH+](CC)CCCNC(=O)CC1CCN(C(=O)c2ccc3oc(-c4ccc(C)cc4)nc3c2)CC1 ZINC000065006160 520612357 /nfs/dbraw/zinc/61/23/57/520612357.db2.gz UZOSNYIMIIJHPC-UHFFFAOYSA-N 1 0 490.648 4.894 50 0 JJAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002890374 520662274 /nfs/dbraw/zinc/66/22/74/520662274.db2.gz BVSUCORMFBQNTJ-FQEVSTJZSA-N 1 0 473.342 4.582 50 0 JJAARO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(C)c2)cc(OCC)c1OCC ZINC000016299661 520667372 /nfs/dbraw/zinc/66/73/72/520667372.db2.gz MGEVHFGOVVWEQC-UHFFFAOYSA-N 1 0 455.599 4.585 50 0 JJAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000016784170 520759530 /nfs/dbraw/zinc/75/95/30/520759530.db2.gz IGGNWMYBFAWFNF-BTUURDQESA-N 1 0 453.671 4.502 50 0 JJAARO CC1=C(C(=O)Nc2cccc(C(=O)NCc3ccc(C[NH+]4CCCCCC4)o3)c2)SCCO1 ZINC000008912211 520807898 /nfs/dbraw/zinc/80/78/98/520807898.db2.gz QQYCNEZPQNTSFH-UHFFFAOYSA-N 1 0 469.607 4.519 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccoc4cc3C(=O)N2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000033331928 520951148 /nfs/dbraw/zinc/95/11/48/520951148.db2.gz YHHRBODFWNJDHM-BJFQTCHOSA-N 1 0 490.648 4.666 50 0 JJAARO CCC[C@@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CCc2ccccn2)C1=O ZINC000014883902 520959109 /nfs/dbraw/zinc/95/91/09/520959109.db2.gz CZRASEQMPRBNEZ-VWLOTQADSA-N 1 0 488.554 4.646 50 0 JJAARO CC1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)c2cccc(Cl)c2)CC1 ZINC000095350446 521002883 /nfs/dbraw/zinc/00/28/83/521002883.db2.gz YVCZKNXALSLEIQ-OYDLWJJNSA-N 1 0 460.062 4.742 50 0 JJAARO CC1CCN(c2nc3ccc(C(=O)NCCCN4CC[NH+](C5CCCCC5)CC4)cc3s2)CC1 ZINC000020415013 521049071 /nfs/dbraw/zinc/04/90/71/521049071.db2.gz CUPKRWFCOHXGKM-UHFFFAOYSA-N 1 0 483.726 4.603 50 0 JJAARO CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCCC[NH+]4CCCC4)c3)C2)cc1 ZINC000033035222 521086382 /nfs/dbraw/zinc/08/63/82/521086382.db2.gz ZUSSBWYAILFBDV-DEOSSOPVSA-N 1 0 478.637 4.713 50 0 JJAARO CCC(=O)OC1=NN(c2ccc(C)cc2)/C(=C\C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000036055687 521232585 /nfs/dbraw/zinc/23/25/85/521232585.db2.gz KVVBPSFJSCPPPP-HYARGMPZSA-N 1 0 451.548 4.676 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)c21 ZINC000008596025 521401201 /nfs/dbraw/zinc/40/12/01/521401201.db2.gz ALGNZSLXFWTTAN-UHFFFAOYSA-N 1 0 456.974 4.994 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c21 ZINC000008597060 521402151 /nfs/dbraw/zinc/40/21/51/521402151.db2.gz HDBDYQOYTJOQED-UHFFFAOYSA-N 1 0 456.974 4.994 50 0 JJAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3cc(C)ccc3[nH]1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000012519926 521417192 /nfs/dbraw/zinc/41/71/92/521417192.db2.gz YHFRILFYNGZTQV-UHFFFAOYSA-N 1 0 486.663 5.000 50 0 JJAARO CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000022655261 521447803 /nfs/dbraw/zinc/44/78/03/521447803.db2.gz PLOUZUIYBVZJEL-WOJBJXKFSA-N 1 0 456.631 4.803 50 0 JJAARO CCC(CC)C(=O)NCCCOc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000014995434 521495106 /nfs/dbraw/zinc/49/51/06/521495106.db2.gz YEHKVGXLTOLQBE-UHFFFAOYSA-N 1 0 451.655 4.947 50 0 JJAARO CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)CC1 ZINC000021659437 521676633 /nfs/dbraw/zinc/67/66/33/521676633.db2.gz GNWVHMZFRAZLOX-UHFFFAOYSA-N 1 0 470.404 4.693 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036303381 521680557 /nfs/dbraw/zinc/68/05/57/521680557.db2.gz XDTWSEDQOIKYNM-LJQANCHMSA-N 1 0 453.583 4.837 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(Nc3onc(-c4ccc(Cl)cc4)c3C(=O)OC)cc2)CC1 ZINC000046914197 521688932 /nfs/dbraw/zinc/68/89/32/521688932.db2.gz PGRJCGSLHVHGSD-UHFFFAOYSA-N 1 0 454.958 4.663 50 0 JJAARO CC[NH+]1CCN([C@@H](C)CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000048302752 521691266 /nfs/dbraw/zinc/69/12/66/521691266.db2.gz HGJQRAHGGPYPSH-IBGZPJMESA-N 1 0 458.635 4.858 50 0 JJAARO CC[NH+]1CCN([C@H](C)CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000048302753 521694627 /nfs/dbraw/zinc/69/46/27/521694627.db2.gz HGJQRAHGGPYPSH-LJQANCHMSA-N 1 0 458.635 4.858 50 0 JJAARO CN(c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)c1ccco1)C1CCCCC1 ZINC000036249552 521749211 /nfs/dbraw/zinc/74/92/11/521749211.db2.gz COTOJFFXGDKVJR-UHFFFAOYSA-N 1 0 450.583 4.908 50 0 JJAARO COc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)ccc1OCc1ccccc1 ZINC000012281724 522367855 /nfs/dbraw/zinc/36/78/55/522367855.db2.gz LCZZGBHXVFEHBB-DEOSSOPVSA-N 1 0 466.622 4.560 50 0 JJAARO COc1cc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000016214714 522456652 /nfs/dbraw/zinc/45/66/52/522456652.db2.gz IUAUQKNYRUTOLN-UHFFFAOYSA-N 1 0 495.428 4.561 50 0 JJAARO C[N@H+](CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1)Cc1ccccc1 ZINC000033035791 522861543 /nfs/dbraw/zinc/86/15/43/522861543.db2.gz GDVDOZCETXTVQG-SANMLTNESA-N 1 0 470.617 4.960 50 0 JJAARO COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000016751511 522970847 /nfs/dbraw/zinc/97/08/47/522970847.db2.gz RZNCBDAYNWNKGR-VWLOTQADSA-N 1 0 496.579 4.863 50 0 JJAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cn1 ZINC000014987249 523514297 /nfs/dbraw/zinc/51/42/97/523514297.db2.gz YURKWRAQBVZZTR-UHFFFAOYSA-N 1 0 486.538 4.755 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC([C@@H](Cc3cccc(OC)c3)N(C)C(=O)c3ccccn3)CC2)c1C ZINC000014991726 523640832 /nfs/dbraw/zinc/64/08/32/523640832.db2.gz HWDIRPJFYNVOIH-MUUNZHRXSA-N 1 0 489.664 4.519 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036306312 523735769 /nfs/dbraw/zinc/73/57/69/523735769.db2.gz LXDJMYZUNPBIEY-DEOSSOPVSA-N 1 0 481.637 4.670 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000036307434 523736270 /nfs/dbraw/zinc/73/62/70/523736270.db2.gz GBFYJUXYCMUUOH-HSZRJFAPSA-N 1 0 485.600 4.500 50 0 JJAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCC3CC[NH+](Cc4cccc(F)c4)CC3)CC2)s1 ZINC000033078242 523847970 /nfs/dbraw/zinc/84/79/70/523847970.db2.gz LXXLBPUYXLTEQE-UHFFFAOYSA-N 1 0 495.668 4.638 50 0 JJAARO C[NH+]1CCN(CCNc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000022787238 523903448 /nfs/dbraw/zinc/90/34/48/523903448.db2.gz CDHGDBTYNVZKOF-UHFFFAOYSA-N 1 0 474.099 4.785 50 0 JJAARO COc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)cc1OC ZINC000014882950 523973926 /nfs/dbraw/zinc/97/39/26/523973926.db2.gz NFHUFBAHIMXXHQ-JOCHJYFZSA-N 1 0 487.644 4.996 50 0 JJAARO COc1ccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([N@@H+]2CCc3ccccc3C2)C4)cc1 ZINC000014994170 523987320 /nfs/dbraw/zinc/98/73/20/523987320.db2.gz KROPBPDWETUOSO-JOCHJYFZSA-N 1 0 471.626 4.625 50 0 JJAARO CCc1ccc(Oc2cc(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)ncn2)cc1 ZINC000033311928 524009025 /nfs/dbraw/zinc/00/90/25/524009025.db2.gz ZIVDRLYMIRCNQK-UHFFFAOYSA-N 1 0 477.653 4.525 50 0 JJAARO C[NH+](C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000043196009 524051417 /nfs/dbraw/zinc/05/14/17/524051417.db2.gz BVJSXSQRIUSRCO-UHFFFAOYSA-N 1 0 454.640 4.781 50 0 in-vitro JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000033255182 524100384 /nfs/dbraw/zinc/10/03/84/524100384.db2.gz GVZUABVLAPJXNV-OAQYLSRUSA-N 1 0 474.605 4.581 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000021811792 524101978 /nfs/dbraw/zinc/10/19/78/524101978.db2.gz BSQKNGLCBQSICK-PIKZIKFNSA-N 1 0 482.669 4.942 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021810712 524362250 /nfs/dbraw/zinc/36/22/50/524362250.db2.gz YCYPRRLTJWAMAW-VKIDHGPPSA-N 1 0 468.642 4.551 50 0 JJAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCCCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004757248 524388798 /nfs/dbraw/zinc/38/87/98/524388798.db2.gz WCXSSQGAMKXNHN-XNMGPUDCSA-N 1 0 481.612 4.701 50 0 JJAARO COc1ccccc1C[NH+]1CCC([C@@]2(CC(C)C)NC(=O)N(CCc3cccs3)C2=O)CC1 ZINC000012213698 524448356 /nfs/dbraw/zinc/44/83/56/524448356.db2.gz MKGLQFJIVMTCST-AREMUKBSSA-N 1 0 469.651 4.548 50 0 JJAARO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000014994299 524473922 /nfs/dbraw/zinc/47/39/22/524473922.db2.gz XTQFBDDTVZEHDC-QPPBQGQZSA-N 1 0 472.614 4.623 50 0 JJAARO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccccc2)C1 ZINC000014732988 524477007 /nfs/dbraw/zinc/47/70/07/524477007.db2.gz QBJVBNQHGUKDIL-RRPNLBNLSA-N 1 0 497.639 4.577 50 0 JJAARO C[C@@H](CNC(=O)c1cn2ccccc2n1)Oc1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000012246621 524729330 /nfs/dbraw/zinc/72/93/30/524729330.db2.gz HSZSMVIYBLSWTD-QFIPXVFZSA-N 1 0 468.601 4.911 50 0 JJAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181213 524883191 /nfs/dbraw/zinc/88/31/91/524883191.db2.gz HXNVGLQVDKZJJA-CNEWXIHYSA-N 1 0 481.637 4.790 50 0 JJAARO COc1ccc(OC[C@H](O)C[N@H+](Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1 ZINC000036249834 524970651 /nfs/dbraw/zinc/97/06/51/524970651.db2.gz AUJNWQSCQDPWFB-HSZRJFAPSA-N 1 0 477.605 4.745 50 0 JJAARO C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021855901 525198304 /nfs/dbraw/zinc/19/83/04/525198304.db2.gz WWUBDHIWTWEMET-WJOKGBTCSA-N 1 0 498.671 4.969 50 0 JJAARO C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CC[NH+](Cc2ccccc2)CC1 ZINC000021810674 525198899 /nfs/dbraw/zinc/19/88/99/525198899.db2.gz XEBLZYQJJYVDKK-GDLZYMKVSA-N 1 0 488.632 4.562 50 0 JJAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016483709 525282473 /nfs/dbraw/zinc/28/24/73/525282473.db2.gz XSHFDOUPNILLEB-NRFANRHFSA-N 1 0 477.630 4.567 50 0 JJAARO Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000033289183 525325209 /nfs/dbraw/zinc/32/52/09/525325209.db2.gz KFXSZBYSWGQDIZ-XMMPIXPASA-N 1 0 485.632 4.575 50 0 JJAARO Cc1ccc(Oc2nccnc2N2CCC(C(=O)NCCC[N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000033141941 525480871 /nfs/dbraw/zinc/48/08/71/525480871.db2.gz LALVWAZTJMONPJ-UHFFFAOYSA-N 1 0 465.642 4.565 50 0 JJAARO Cc1c(C(=O)N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014994628 525568909 /nfs/dbraw/zinc/56/89/09/525568909.db2.gz MTQKULWDILWVFL-OAQYLSRUSA-N 1 0 497.709 4.611 50 0 JJAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](CCC(=O)NCC[C@@H](c1ccco1)c1ccc(F)cc1)C2 ZINC000014991274 525569790 /nfs/dbraw/zinc/56/97/90/525569790.db2.gz VBPXCVHWHAIKRX-NTKDMRAZSA-N 1 0 466.553 4.739 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000014982842 525748776 /nfs/dbraw/zinc/74/87/76/525748776.db2.gz LRDVOFWSPRPXTI-DEOSSOPVSA-N 1 0 480.634 4.632 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698017 525786328 /nfs/dbraw/zinc/78/63/28/525786328.db2.gz ZSYWOYFWXBWNRI-LJAQVGFWSA-N 1 0 498.602 4.665 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146342 525919948 /nfs/dbraw/zinc/91/99/48/525919948.db2.gz CAZSQENHHXTWGH-GGAORHGYSA-N 1 0 461.002 4.520 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4cccc(OC)c4)CC3)C2=O)c1 ZINC000014751992 525927998 /nfs/dbraw/zinc/92/79/98/525927998.db2.gz RHWMBQQVNZEXDH-UHFFFAOYSA-N 1 0 479.621 4.549 50 0 JJAARO COc1cccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000014968741 525935111 /nfs/dbraw/zinc/93/51/11/525935111.db2.gz YMQNNGUKUUSAEM-RUZDIDTESA-N 1 0 478.662 4.986 50 0 JJAARO COc1cccc(C[NH+]2CCC(c3nnc(SC[C@@H]4CCCO4)n3Cc3ccccc3)CC2)c1 ZINC000014968736 525936673 /nfs/dbraw/zinc/93/66/73/525936673.db2.gz YMQNNGUKUUSAEM-VWLOTQADSA-N 1 0 478.662 4.986 50 0 JJAARO COc1cccc(C[NH2+][C@H]2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c43)C2)c1 ZINC000014992080 526039447 /nfs/dbraw/zinc/03/94/47/526039447.db2.gz MOEGHZPEAVEJKP-NRFANRHFSA-N 1 0 459.615 4.747 50 0 JJAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccccc1C(F)(F)F ZINC000036082678 526094657 /nfs/dbraw/zinc/09/46/57/526094657.db2.gz PUSSATPMZQPIGS-GOSISDBHSA-N 1 0 474.527 4.748 50 0 JJAARO Cc1cc(C(=O)N2CCCC[C@H]2CCOc2ccc(C[N@H+](C)Cc3cccs3)cc2)n(C)n1 ZINC000012279803 526244306 /nfs/dbraw/zinc/24/43/06/526244306.db2.gz XJFWXESSSVNBTJ-QFIPXVFZSA-N 1 0 466.651 4.886 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2ccnc(N3CCN(c4ccc(Cl)cc4)CC3)c2c1 ZINC000065002172 526249934 /nfs/dbraw/zinc/24/99/34/526249934.db2.gz TYVWTCZAHDHAJW-NRFANRHFSA-N 1 0 492.067 4.819 50 0 JJAARO O=C(NCCCc1ccccc1)[C@H]1CC12CC[NH+](Cc1cccn1-c1ccc(Cl)cn1)CC2 ZINC000014884791 526277510 /nfs/dbraw/zinc/27/75/10/526277510.db2.gz CEODQHMJRXCGCA-XMMPIXPASA-N 1 0 463.025 4.877 50 0 JJAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020100500 526303976 /nfs/dbraw/zinc/30/39/76/526303976.db2.gz FZRGOKSNLBWSEX-UHFFFAOYSA-N 1 0 471.620 4.972 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1 ZINC000033035480 526305377 /nfs/dbraw/zinc/30/53/77/526305377.db2.gz WHXFWNUXBCVCBF-OAQYLSRUSA-N 1 0 455.002 4.577 50 0 JJAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3cnn(-c4ccccc4)n3)CC2)c1 ZINC000014996048 526357825 /nfs/dbraw/zinc/35/78/25/526357825.db2.gz RQHNXYHDJHGDLF-UHFFFAOYSA-N 1 0 458.610 4.545 50 0 JJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000012374701 526422728 /nfs/dbraw/zinc/42/27/28/526422728.db2.gz ZHKOJPHSOWHHAZ-OXQOHEQNSA-N 1 0 476.474 4.976 50 0 JJAARO Cc1nc(-c2ccccc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000065006809 526602814 /nfs/dbraw/zinc/60/28/14/526602814.db2.gz KCKJVNOHODNQKD-HXUWFJFHSA-N 1 0 496.721 4.988 50 0 JJAARO O=C(NCc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000012281717 526744513 /nfs/dbraw/zinc/74/45/13/526744513.db2.gz GZUPSZLIFUEZEE-UHFFFAOYSA-N 1 0 483.534 4.778 50 0 JJAARO O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004127389 526891523 /nfs/dbraw/zinc/89/15/23/526891523.db2.gz PVLJSVUWQHILEM-UHFFFAOYSA-N 1 0 499.537 4.735 50 0 JJAARO Cc1nc(COc2cccc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)c2)cs1 ZINC000016707914 526910496 /nfs/dbraw/zinc/91/04/96/526910496.db2.gz FQDFTDRXNCKDIN-UHFFFAOYSA-N 1 0 456.999 4.688 50 0 JJAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](Cc3cccs3)CC2)N1Cc1ccccc1 ZINC000014745758 527037694 /nfs/dbraw/zinc/03/76/94/527037694.db2.gz XFSIFMJAQGJDNW-UHFFFAOYSA-N 1 0 474.630 4.575 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C4)cs1 ZINC000014988263 527037657 /nfs/dbraw/zinc/03/76/57/527037657.db2.gz FINUADFHLJLHCB-IUODEOHRSA-N 1 0 472.586 4.758 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3cc4ccccc4o3)CC2)N1Cc1ccccc1 ZINC000014744409 527039133 /nfs/dbraw/zinc/03/91/33/527039133.db2.gz LUFKQUYPVGEHKP-UHFFFAOYSA-N 1 0 480.568 4.827 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@@H+](CCc2ccccc2)C1 ZINC000014744576 527273197 /nfs/dbraw/zinc/27/31/97/527273197.db2.gz LAJPUKGGNNXPAP-LOSJGSFVSA-N 1 0 487.669 4.673 50 0 JJAARO O=c1oc2ccccc2c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C[NH+]1CCCC1 ZINC000016525260 527499291 /nfs/dbraw/zinc/49/92/91/527499291.db2.gz QEZQEBQQPRSZHM-UHFFFAOYSA-N 1 0 457.496 4.734 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146394 527658173 /nfs/dbraw/zinc/65/81/73/527658173.db2.gz CNPGBJQSGNXOQF-FTJBHMTQSA-N 1 0 466.528 4.538 50 0 JJAARO COc1ccc([C@@H]2C3=C(N=C4N=C(C)NN42)c2ccccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000000638081 553722096 /nfs/dbraw/zinc/72/20/96/553722096.db2.gz VOXLWZDTUPMREE-FTJBHMTQSA-N 1 0 452.514 4.898 50 0 JJAARO c1nn(Cc2ccccc2)c2ncnc(N3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)c12 ZINC000000855476 553799870 /nfs/dbraw/zinc/79/98/70/553799870.db2.gz LOBPWLAQAKJYDZ-UHFFFAOYSA-N 1 0 458.569 4.767 50 0 JJAARO CC(C)(C)[C@@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH2+]C2CC2)CCCCC1 ZINC000001030843 553900782 /nfs/dbraw/zinc/90/07/82/553900782.db2.gz QVIPCNZDKHIVBL-RTWAWAEBSA-N 1 0 485.036 4.694 50 0 JJAARO CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C1([NH2+]C2CC2)CCCCC1 ZINC000001030845 553901087 /nfs/dbraw/zinc/90/10/87/553901087.db2.gz QVIPCNZDKHIVBL-NHCUHLMSSA-N 1 0 485.036 4.694 50 0 JJAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002314164 554144697 /nfs/dbraw/zinc/14/46/97/554144697.db2.gz AZMVECJNVIQIKU-INIZCTEOSA-N 1 0 453.970 4.890 50 0 JJAARO CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000002405438 554188263 /nfs/dbraw/zinc/18/82/63/554188263.db2.gz LQUSEIOQGXKOLG-VWLOTQADSA-N 1 0 478.589 4.868 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000002410431 554191645 /nfs/dbraw/zinc/19/16/45/554191645.db2.gz MUJOHUFMABWBGK-OAQYLSRUSA-N 1 0 469.379 4.833 50 0 JJAARO COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)c2cc1OC ZINC000002713574 554299389 /nfs/dbraw/zinc/29/93/89/554299389.db2.gz FOJJCJQLQPPOEQ-UHFFFAOYSA-N 1 0 453.542 4.810 50 0 JJAARO CC1(C)CC(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)CC(C)(C)[NH2+]1 ZINC000002782040 554342431 /nfs/dbraw/zinc/34/24/31/554342431.db2.gz BASIMDJLMJHGSC-UHFFFAOYSA-N 1 0 451.518 4.516 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000002890266 554408755 /nfs/dbraw/zinc/40/87/55/554408755.db2.gz DZCQRCNWEWXRIL-NRFANRHFSA-N 1 0 487.369 4.972 50 0 JJAARO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH2+]CCc5ccccc5F)C4=O)cc3)sc2c1 ZINC000008414490 554578354 /nfs/dbraw/zinc/57/83/54/554578354.db2.gz AQGZYESNXZRPGP-JOCHJYFZSA-N 1 0 459.546 4.875 50 0 JJAARO COc1ccc(Nc2cc(C(=O)NCC[N@H+](C)CCc3ccccc3)c3ccccc3n2)cc1 ZINC000008814247 554696514 /nfs/dbraw/zinc/69/65/14/554696514.db2.gz RAFAHRQILLAICL-UHFFFAOYSA-N 1 0 454.574 4.891 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000008834890 554733037 /nfs/dbraw/zinc/73/30/37/554733037.db2.gz TVNCXPAJROAMOV-QFIPXVFZSA-N 1 0 482.964 4.510 50 0 JJAARO C[N@H+](CCNC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1)Cc1ccccc1 ZINC000008912136 554801849 /nfs/dbraw/zinc/80/18/49/554801849.db2.gz OEDZUUBEHKPPKY-UHFFFAOYSA-N 1 0 473.646 4.535 50 0 JJAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccco1 ZINC000008922840 554819812 /nfs/dbraw/zinc/81/98/12/554819812.db2.gz BINPNHHHWSYYLX-NRFANRHFSA-N 1 0 467.547 4.764 50 0 JJAARO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)ccc1OC(=O)c1ccco1 ZINC000008928021 554825631 /nfs/dbraw/zinc/82/56/31/554825631.db2.gz BTJMBLPCAZGAKF-OAQYLSRUSA-N 1 0 467.547 4.766 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC(=O)c4cccc(F)c4)c2)N3)C1 ZINC000008928012 554825660 /nfs/dbraw/zinc/82/56/60/554825660.db2.gz OZPXNBIAPOZGQZ-OAQYLSRUSA-N 1 0 451.523 4.913 50 0 JJAARO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965293 554839493 /nfs/dbraw/zinc/83/94/93/554839493.db2.gz LYINVIBUBBIBIG-MHZLTWQESA-N 1 0 497.643 4.536 50 0 JJAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 ZINC000008984744 554848676 /nfs/dbraw/zinc/84/86/76/554848676.db2.gz SMSBRZOLVDSIGI-UHFFFAOYSA-N 1 0 483.656 4.841 50 0 JJAARO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[NH2+]C(C)C)cc1OCC ZINC000009033709 554867960 /nfs/dbraw/zinc/86/79/60/554867960.db2.gz ROEVESWSJVWGHK-DEOSSOPVSA-N 1 0 498.664 4.948 50 0 biogenic JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)cc2)CC1 ZINC000009111492 554898745 /nfs/dbraw/zinc/89/87/45/554898745.db2.gz LGUNYBGNKHOCNT-UHFFFAOYSA-N 1 0 453.542 4.854 50 0 JJAARO Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)ccc1N1CC[NH+](C)CC1 ZINC000009112872 554900181 /nfs/dbraw/zinc/90/01/81/554900181.db2.gz UAQBNDPEYQQLLA-RUZDIDTESA-N 1 0 491.035 4.900 50 0 JJAARO C[N@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1)Cc1ccccc1 ZINC000009115586 554902396 /nfs/dbraw/zinc/90/23/96/554902396.db2.gz QLFGIQFTGITXLP-PMERELPUSA-N 1 0 489.435 4.602 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000009119972 554912105 /nfs/dbraw/zinc/91/21/05/554912105.db2.gz RFCBYLFDHUHVOA-QFIPXVFZSA-N 1 0 451.567 4.589 50 0 JJAARO c1ccc(C[NH+]2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 ZINC000009136413 554932681 /nfs/dbraw/zinc/93/26/81/554932681.db2.gz OZOAWEGAMINUIU-XMMPIXPASA-N 1 0 453.542 4.951 50 0 JJAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151275 554937871 /nfs/dbraw/zinc/93/78/71/554937871.db2.gz JCASLKJDNXZYOB-UHFFFAOYSA-N 1 0 485.657 4.988 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000009151298 554938182 /nfs/dbraw/zinc/93/81/82/554938182.db2.gz FWGUGEBKIOQTOD-UHFFFAOYSA-N 1 0 489.620 4.737 50 0 JJAARO FC(F)Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CC[NH2+]CC2)cc1 ZINC000009210012 554979348 /nfs/dbraw/zinc/97/93/48/554979348.db2.gz CYGIAHAJMZAUHJ-SFHVURJKSA-N 1 0 464.310 4.674 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCCCC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000009227847 555000960 /nfs/dbraw/zinc/00/09/60/555000960.db2.gz FJKPKMGXKHLHJH-UHFFFAOYSA-N 1 0 495.668 4.511 50 0 JJAARO CCOc1ccc(C[N@H+](C)C[C@@H](O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000009282843 555053102 /nfs/dbraw/zinc/05/31/02/555053102.db2.gz BVENFMNYIOTMEI-XMMPIXPASA-N 1 0 465.590 4.701 50 0 JJAARO CC[C@H](C(=O)NCCC[N@H+](CC)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000009289360 555063700 /nfs/dbraw/zinc/06/37/00/555063700.db2.gz RLDIEDXPMOXHJI-JOCHJYFZSA-N 1 0 476.646 4.899 50 0 JJAARO CC[NH+](CC)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000009289545 555063864 /nfs/dbraw/zinc/06/38/64/555063864.db2.gz GDGAZSPJKJQGQJ-GDLZYMKVSA-N 1 0 480.612 4.838 50 0 JJAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(Cl)c(Cl)c2)N(CCC[NH+](C)C)C1=O ZINC000009302751 555075954 /nfs/dbraw/zinc/07/59/54/555075954.db2.gz JIZGMRWRFBXQGR-FQEVSTJZSA-N 1 0 461.345 4.605 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccncc2)nc2ccccc21)[NH+]1CCCC1 ZINC000009336409 555104001 /nfs/dbraw/zinc/10/40/01/555104001.db2.gz MHUNKYNHCWHDKQ-SANMLTNESA-N 1 0 452.558 4.872 50 0 JJAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009364861 555125215 /nfs/dbraw/zinc/12/52/15/555125215.db2.gz XPHCXYCLGBGHPW-UHFFFAOYSA-N 1 0 487.003 4.742 50 0 JJAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009377059 555138302 /nfs/dbraw/zinc/13/83/02/555138302.db2.gz PNEAYPFFWBGROO-UZUQRXQVSA-N 1 0 476.042 4.583 50 0 JJAARO O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009379161 555141183 /nfs/dbraw/zinc/14/11/83/555141183.db2.gz YOMVSWSKBNJPHV-UHFFFAOYSA-N 1 0 459.575 4.854 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3c4ccccc4C(=O)N(C)[C@@H]3c3cccs3)CC2)c1 ZINC000009432394 555201483 /nfs/dbraw/zinc/20/14/83/555201483.db2.gz KEVATEMXSRYOAY-RRPNLBNLSA-N 1 0 487.669 4.995 50 0 JJAARO CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432483 555201591 /nfs/dbraw/zinc/20/15/91/555201591.db2.gz FHLQTCVWDSLCOU-LOSJGSFVSA-N 1 0 477.630 4.813 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433701 555204083 /nfs/dbraw/zinc/20/40/83/555204083.db2.gz RRKXINANZRDBNY-DQEYMECFSA-N 1 0 465.663 4.964 50 0 JJAARO CCCC[N@H+](CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccco1 ZINC000009433782 555204097 /nfs/dbraw/zinc/20/40/97/555204097.db2.gz JZZCHOZURMVEMD-UHFFFAOYSA-N 1 0 473.573 4.624 50 0 JJAARO COc1ccc([C@H](CNC(=O)Cn2c3ccccc3nc2-c2cscn2)[NH+]2CCCCC2)cc1 ZINC000009466669 555242886 /nfs/dbraw/zinc/24/28/86/555242886.db2.gz KZOKCJXVWMPUIS-DEOSSOPVSA-N 1 0 475.618 4.512 50 0 JJAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000009469834 555252847 /nfs/dbraw/zinc/25/28/47/555252847.db2.gz CCIOUWDLGCWXBS-UHFFFAOYSA-N 1 0 454.983 4.658 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000009674012 555398677 /nfs/dbraw/zinc/39/86/77/555398677.db2.gz GLKJWGXWJNOWMR-FQEVSTJZSA-N 1 0 462.638 4.993 50 0 JJAARO O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009687814 555415501 /nfs/dbraw/zinc/41/55/01/555415501.db2.gz XIDQZINXRFSJTB-UHFFFAOYSA-N 1 0 486.641 4.754 50 0 JJAARO Cc1cccc(C[NH+]2CCC(CNC(=O)c3cc4c(s3)c3ccccc3n(C)c4=O)CC2)c1 ZINC000009693062 555422423 /nfs/dbraw/zinc/42/24/23/555422423.db2.gz DVFMMOUXIKVRBK-UHFFFAOYSA-N 1 0 459.615 4.704 50 0 JJAARO Cc1nn2c(nc(C)c(CCC(=O)NC[C@H]3CC[N@@H+](C4CCCC4)C3)c2C)c1-c1ccccc1 ZINC000009609863 555438663 /nfs/dbraw/zinc/43/86/63/555438663.db2.gz YSRXDMSRLJOWOL-JOCHJYFZSA-N 1 0 459.638 4.635 50 0 JJAARO CC[NH+](CC)CCn1c(=O)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2c1CCCC2 ZINC000009747135 555478983 /nfs/dbraw/zinc/47/89/83/555478983.db2.gz UUHXFUXLYQKJTM-UHFFFAOYSA-N 1 0 483.465 4.502 50 0 JJAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000009776608 555494808 /nfs/dbraw/zinc/49/48/08/555494808.db2.gz ZUCHEXKCDLMRBF-IXCJQBJRSA-N 1 0 493.648 4.570 50 0 JJAARO COc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3C[NH+]3CCCC3)s2)cc1OC ZINC000009822791 555524368 /nfs/dbraw/zinc/52/43/68/555524368.db2.gz OVRQXSIQBJQWJU-UHFFFAOYSA-N 1 0 451.592 4.662 50 0 JJAARO COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000019890030 555529564 /nfs/dbraw/zinc/52/95/64/555529564.db2.gz YYPHLVOICVDCFI-QFIPXVFZSA-N 1 0 471.582 4.745 50 0 JJAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCCC[NH+]3CCCCCC3)n2n1 ZINC000009831123 555532531 /nfs/dbraw/zinc/53/25/31/555532531.db2.gz SBOZWDSLFIJDRW-UHFFFAOYSA-N 1 0 482.636 4.856 50 0 JJAARO COc1cc2nc(NCC[NH+]3[C@H](C)CCC[C@H]3C)n3nc(-c4ccccc4)nc3c2cc1OC ZINC000009831148 555532899 /nfs/dbraw/zinc/53/28/99/555532899.db2.gz PDDZQPJVCNPCGZ-QZTJIDSGSA-N 1 0 460.582 4.637 50 0 JJAARO CCOc1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019899200 555534730 /nfs/dbraw/zinc/53/47/30/555534730.db2.gz RLNFNHHQWFZGSK-UHFFFAOYSA-N 1 0 495.631 4.503 50 0 JJAARO CC(C)[N@H+](CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1 ZINC000009847826 555549649 /nfs/dbraw/zinc/54/96/49/555549649.db2.gz BMYWVMQJGMTNHA-UHFFFAOYSA-N 1 0 480.678 4.509 50 0 JJAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1Cl ZINC000019954211 555570010 /nfs/dbraw/zinc/57/00/10/555570010.db2.gz UVNUMQHFSPYFSH-SQHAQQRYSA-N 1 0 478.036 4.788 50 0 JJAARO C[N@H+](CCCNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)Cc1ccccc1 ZINC000010013253 555594203 /nfs/dbraw/zinc/59/42/03/555594203.db2.gz IBBHKXZSSAEKIE-UHFFFAOYSA-N 1 0 461.512 4.521 50 0 JJAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000010059900 555611114 /nfs/dbraw/zinc/61/11/14/555611114.db2.gz QPHOBLYOVXTCSD-UHFFFAOYSA-N 1 0 450.366 4.564 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNc3ncnc4onc(-c5ccc(F)cc5)c43)C[C@H]2C)c1 ZINC000013809683 555624088 /nfs/dbraw/zinc/62/40/88/555624088.db2.gz JBWBKFUPVIDELA-LJQANCHMSA-N 1 0 460.557 4.745 50 0 JJAARO COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)c(OC)c1 ZINC000013811161 555627213 /nfs/dbraw/zinc/62/72/13/555627213.db2.gz SYZFTMVIQFPUPS-DQEYMECFSA-N 1 0 456.477 4.647 50 0 JJAARO CCc1ccc([C@@H](CNC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)[NH+](C)C)cc1 ZINC000010139279 555636092 /nfs/dbraw/zinc/63/60/92/555636092.db2.gz JNQVXIYGKDHWHZ-JOCHJYFZSA-N 1 0 465.667 4.506 50 0 JJAARO CC[NH+]1CCN(CCCNC(=O)c2cnc(Nc3ccc(C)c(Cl)c3)c3ccccc23)CC1 ZINC000020104780 555637407 /nfs/dbraw/zinc/63/74/07/555637407.db2.gz QAQMCLUDRDVJNF-UHFFFAOYSA-N 1 0 466.029 4.698 50 0 JJAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013894235 555641902 /nfs/dbraw/zinc/64/19/02/555641902.db2.gz TWRNEJFEPSEJTR-UHFFFAOYSA-N 1 0 483.656 4.841 50 0 JJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCc4ccc(F)cc4Cl)ccc3n2)CC1 ZINC000020153663 555673037 /nfs/dbraw/zinc/67/30/37/555673037.db2.gz KGJVSAFXCJYDKW-UHFFFAOYSA-N 1 0 472.033 4.964 50 0 JJAARO COc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3C[NH+]3CCCC3)C2)c2ccccc12 ZINC000014075095 555679602 /nfs/dbraw/zinc/67/96/02/555679602.db2.gz DUVAVSUPUBQTBZ-DEOSSOPVSA-N 1 0 485.628 4.613 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000014079259 555681099 /nfs/dbraw/zinc/68/10/99/555681099.db2.gz ZGTIMYHNIDQZMG-NDEPHWFRSA-N 1 0 495.627 4.959 50 0 JJAARO CCCC[NH+](CCCC)CCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21 ZINC000020180750 555687287 /nfs/dbraw/zinc/68/72/87/555687287.db2.gz QUZUMEJNNSEFKY-PLRJNAJWSA-N 1 0 467.585 4.611 50 0 JJAARO CCCC[N@H+](CC)CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21 ZINC000020181197 555687903 /nfs/dbraw/zinc/68/79/03/555687903.db2.gz IRYNKWSDHXIPOD-MOHJPFBDSA-N 1 0 469.626 4.934 50 0 JJAARO COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000014141852 555706954 /nfs/dbraw/zinc/70/69/54/555706954.db2.gz AZKWHTCVJGXYNZ-AREMUKBSSA-N 1 0 454.574 4.640 50 0 JJAARO O[C@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020264822 555747265 /nfs/dbraw/zinc/74/72/65/555747265.db2.gz UJCCXVCJUHOQMS-QFIPXVFZSA-N 1 0 478.434 4.736 50 0 JJAARO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000011093892 555759200 /nfs/dbraw/zinc/75/92/00/555759200.db2.gz AXXUVBBSFCXUBR-RBZFPXEDSA-N 1 0 451.336 4.673 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531264 555798745 /nfs/dbraw/zinc/79/87/45/555798745.db2.gz LNPJPUOMLUOPHH-PMERELPUSA-N 1 0 495.667 4.715 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000020532315 555801659 /nfs/dbraw/zinc/80/16/59/555801659.db2.gz TXRWABXMOUOSHS-XMMPIXPASA-N 1 0 485.657 4.986 50 0 JJAARO COc1ccc([C@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000020560706 555811314 /nfs/dbraw/zinc/81/13/14/555811314.db2.gz KFUXEDAEMFTPIY-NDEPHWFRSA-N 1 0 483.612 4.563 50 0 JJAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4sc(Nc5ccccc5)nc4s3)cn2)CC1 ZINC000014521356 555816555 /nfs/dbraw/zinc/81/65/55/555816555.db2.gz BGVWMAFUORJTJE-UHFFFAOYSA-N 1 0 450.593 4.501 50 0 JJAARO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2cccnc2)C(=O)N3CCc2ccccc2)cc1C ZINC000014531901 555819287 /nfs/dbraw/zinc/81/92/87/555819287.db2.gz WQKIJGXOHPZJKY-UHFFFAOYSA-N 1 0 482.628 4.740 50 0 JJAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@@H](C)CCc1ccccc1)CC2 ZINC000014532214 555820026 /nfs/dbraw/zinc/82/00/26/555820026.db2.gz WOQPVMFVVNPIRN-DEOSSOPVSA-N 1 0 476.665 4.790 50 0 JJAARO O=C(NC[C@H]1CCC2(CC[NH+](CCCc3ccccc3)CC2)O1)c1ccc(N2CCCC2)cc1 ZINC000011786995 555820662 /nfs/dbraw/zinc/82/06/62/555820662.db2.gz KCBPSRDCHGEXRP-HHHXNRCGSA-N 1 0 461.650 4.663 50 0 JJAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(-c5ccco5)cc4)CC3)O2)cs1 ZINC000011788394 555822521 /nfs/dbraw/zinc/82/25/21/555822521.db2.gz BDRWZAJMUWFBEB-NRFANRHFSA-N 1 0 451.592 4.655 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4ccc(F)cc4)CC3)C2=O)c1 ZINC000014535467 555824290 /nfs/dbraw/zinc/82/42/90/555824290.db2.gz JPLWOYALYTXYII-UHFFFAOYSA-N 1 0 467.585 4.679 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC(c3ccccc3)c3ccccc3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000011790198 555826019 /nfs/dbraw/zinc/82/60/19/555826019.db2.gz PJDAFWGZTYMPER-LJAQVGFWSA-N 1 0 483.656 4.674 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCCCC3)CC2)cc1)N1CCOCC1 ZINC000011790486 555826284 /nfs/dbraw/zinc/82/62/84/555826284.db2.gz UMARGOAFQUTWDC-UHFFFAOYSA-N 1 0 461.650 4.620 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@H](C)CC(C)C)CC2 ZINC000014537434 555827041 /nfs/dbraw/zinc/82/70/41/555827041.db2.gz KKYHGJZGCFZAHX-JOCHJYFZSA-N 1 0 465.638 4.910 50 0 JJAARO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000011815210 555830232 /nfs/dbraw/zinc/83/02/32/555830232.db2.gz LREWQXZWMDBFGX-VWLOTQADSA-N 1 0 469.629 4.758 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4cc5ccccc5o4)CC3)C2=O)cc1 ZINC000014542992 555833967 /nfs/dbraw/zinc/83/39/67/555833967.db2.gz DGOMNSDSMVZQRV-UHFFFAOYSA-N 1 0 475.589 4.896 50 0 JJAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCC(CN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000011847503 555835200 /nfs/dbraw/zinc/83/52/00/555835200.db2.gz BUMQYQRREJGPTD-JOCHJYFZSA-N 1 0 493.003 4.550 50 0 JJAARO Cc1occc1C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000020600094 555841277 /nfs/dbraw/zinc/84/12/77/555841277.db2.gz GSFBGQZHAFTZCD-HXUWFJFHSA-N 1 0 469.589 4.704 50 0 JJAARO CC[NH+](CC)CCOC(=O)c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 ZINC000020602014 555842547 /nfs/dbraw/zinc/84/25/47/555842547.db2.gz YZPDUODANROFJA-UHFFFAOYSA-N 1 0 455.624 4.950 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)[C@H]1c1cccs1 ZINC000020904400 555848752 /nfs/dbraw/zinc/84/87/52/555848752.db2.gz IXLVEQSAEAXYGF-WDJPJFJCSA-N 1 0 453.652 4.675 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCC[N@@H+]1CCCC[C@H]1C)C3=O ZINC000020902959 555848772 /nfs/dbraw/zinc/84/87/72/555848772.db2.gz PYLGGNNNURAQMJ-ONOMSOESSA-N 1 0 494.680 4.578 50 0 JJAARO Cc1c(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@@H]3CCCO3)CC2)cnn1C ZINC000015004267 555849210 /nfs/dbraw/zinc/84/92/10/555849210.db2.gz VPYWOKQJMWGPLQ-QHCPKHFHSA-N 1 0 472.703 4.551 50 0 JJAARO Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C4)cs1 ZINC000015004565 555849419 /nfs/dbraw/zinc/84/94/19/555849419.db2.gz ZHIJBSHSMYNHFS-MLGOLLRUSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccc(F)cc2F)C4)cs1 ZINC000015004559 555849542 /nfs/dbraw/zinc/84/95/42/555849542.db2.gz ZHIJBSHSMYNHFS-LRDDRELGSA-N 1 0 472.586 4.758 50 0 JJAARO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)Nc3ccc4sc(C)nc4c3)CC2)c1OC ZINC000011909816 555856721 /nfs/dbraw/zinc/85/67/21/555856721.db2.gz WDSMAIUJADOFCT-IBGZPJMESA-N 1 0 451.592 4.863 50 0 JJAARO O=C(CCCc1ccccc1)N1CCOc2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011909896 555857002 /nfs/dbraw/zinc/85/70/02/555857002.db2.gz VHIRLWMKICLVCC-UHFFFAOYSA-N 1 0 487.619 4.892 50 0 JJAARO S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022036987 555865170 /nfs/dbraw/zinc/86/51/70/555865170.db2.gz LPTVLSJBJFHZSQ-UHFFFAOYSA-N 1 0 486.597 4.966 50 0 JJAARO O=c1[nH]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2sc3c(c21)CCCC3 ZINC000022037555 555865273 /nfs/dbraw/zinc/86/52/73/555865273.db2.gz WSPMBIBTAGATMP-UHFFFAOYSA-N 1 0 470.642 4.771 50 0 JJAARO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(C)c1 ZINC000015069398 555869170 /nfs/dbraw/zinc/86/91/70/555869170.db2.gz CPOAVFLAUPXOJS-RDGATRHJSA-N 1 0 486.641 4.932 50 0 JJAARO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)[N@H+](CC3CCCCC3)C2)n1 ZINC000011965951 555871877 /nfs/dbraw/zinc/87/18/77/555871877.db2.gz CZVQSZYRXMYSKI-ZEQRLZLVSA-N 1 0 470.658 4.707 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH+](Cc1ccc3nsnc3c1)CC2 ZINC000011968719 555872929 /nfs/dbraw/zinc/87/29/29/555872929.db2.gz WEKOLDYXSFIGNK-SFHVURJKSA-N 1 0 460.525 4.629 50 0 JJAARO Cc1ccc2nc(C)cc(C(=O)NC[C@H]3CCC4(CC[NH+](Cc5ccccc5F)CC4)O3)c2c1 ZINC000011973112 555874548 /nfs/dbraw/zinc/87/45/48/555874548.db2.gz QKKIEHVZSRNHOH-JOCHJYFZSA-N 1 0 461.581 4.934 50 0 JJAARO O=C(N[C@H]1CCCc2ccccc21)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)[nH]c1=O ZINC000011983025 555877141 /nfs/dbraw/zinc/87/71/41/555877141.db2.gz SYROCASWWADRBJ-MHZLTWQESA-N 1 0 455.602 4.637 50 0 JJAARO CCn1nc(C)c(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c1C ZINC000011999212 555881909 /nfs/dbraw/zinc/88/19/09/555881909.db2.gz ZIKXBVLCWHNNRD-RPBOFIJWSA-N 1 0 478.662 4.615 50 0 JJAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012004666 555883516 /nfs/dbraw/zinc/88/35/16/555883516.db2.gz NNSGTUSDURZEGU-QFIPXVFZSA-N 1 0 459.512 4.582 50 0 JJAARO OC1(c2cccnc2)CC[NH+](Cc2ccc3c(c2)CN(Cc2cccc(C(F)(F)F)c2)CCO3)CC1 ZINC000012024520 555885647 /nfs/dbraw/zinc/88/56/47/555885647.db2.gz MQNZEQNNBNPFIM-UHFFFAOYSA-N 1 0 497.561 4.979 50 0 JJAARO CCCCN(C)C(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000012036110 555889192 /nfs/dbraw/zinc/88/91/92/555889192.db2.gz CIZIGGXXQOFIOO-FQEVSTJZSA-N 1 0 452.595 4.952 50 0 JJAARO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cc(OC)c1 ZINC000012036571 555889511 /nfs/dbraw/zinc/88/95/11/555889511.db2.gz YZWCLRSYCYVLOJ-SANMLTNESA-N 1 0 462.634 4.934 50 0 JJAARO COc1cc(Cl)c(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1OC ZINC000012042482 555894845 /nfs/dbraw/zinc/89/48/45/555894845.db2.gz JCFNZRFRUDXPHJ-SFHVURJKSA-N 1 0 477.074 4.715 50 0 JJAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000022241820 555895444 /nfs/dbraw/zinc/89/54/44/555895444.db2.gz SEHNSXIUNSMKQM-UHFFFAOYSA-N 1 0 457.618 4.799 50 0 JJAARO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@@H]45)cc3n2)cc1 ZINC000015319782 555897647 /nfs/dbraw/zinc/89/76/47/555897647.db2.gz PVOVSLQURVPQML-UTKZUKDTSA-N 1 0 488.510 4.845 50 0 JJAARO COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015404756 555904196 /nfs/dbraw/zinc/90/41/96/555904196.db2.gz KNQAZSXAJPAFRF-XMMPIXPASA-N 1 0 473.573 4.904 50 0 JJAARO CCOc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3ccc(OC)c(Cl)c3)CC2)ccc1OC ZINC000012129081 555910939 /nfs/dbraw/zinc/91/09/39/555910939.db2.gz SPIKRYZWSCQMHO-LJQANCHMSA-N 1 0 458.986 4.997 50 0 JJAARO CC[NH+](CC)CCn1c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)nc2ccccc21 ZINC000022284900 555917627 /nfs/dbraw/zinc/91/76/27/555917627.db2.gz HOAPQNAIXRWEOF-UHFFFAOYSA-N 1 0 461.566 4.814 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc(Br)s1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140884 555920137 /nfs/dbraw/zinc/92/01/37/555920137.db2.gz BYTYKICBZCIQKI-UHFFFAOYSA-N 1 0 496.452 4.880 50 0 JJAARO C[NH+](C)CCCN(C(=O)CCOc1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012140952 555920486 /nfs/dbraw/zinc/92/04/86/555920486.db2.gz YSAOXNVJEFKPLE-UHFFFAOYSA-N 1 0 462.413 4.813 50 0 JJAARO CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1 ZINC000012150642 555922826 /nfs/dbraw/zinc/92/28/26/555922826.db2.gz LEYVXOBTINIDMF-UHFFFAOYSA-N 1 0 459.512 4.670 50 0 JJAARO COc1ccc(OC)c(C[NH+]2CCC3(C[C@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)c1 ZINC000012166268 555933162 /nfs/dbraw/zinc/93/31/62/555933162.db2.gz QNWUCMVBWGQJNV-NRFANRHFSA-N 1 0 462.512 4.641 50 0 JJAARO C/C=C(\C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)CC1 ZINC000012190094 555937092 /nfs/dbraw/zinc/93/70/92/555937092.db2.gz GHDOGYYEDYETRS-IJUHEHPCSA-N 1 0 457.496 4.590 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1CCC[NH+]1CCCC1 ZINC000015678259 555943349 /nfs/dbraw/zinc/94/33/49/555943349.db2.gz HYJNOFPRCPQRNA-MUUNZHRXSA-N 1 0 480.653 4.678 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000012243042 555946084 /nfs/dbraw/zinc/94/60/84/555946084.db2.gz AQALEWWHKPNVBW-QFIPXVFZSA-N 1 0 454.596 4.520 50 0 JJAARO CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000015679794 555946829 /nfs/dbraw/zinc/94/68/29/555946829.db2.gz ZUODIRCUKHCYNR-UHFFFAOYSA-N 1 0 468.564 4.672 50 0 JJAARO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000015681282 555950279 /nfs/dbraw/zinc/95/02/79/555950279.db2.gz KLMRUHLWKWNOIV-UHFFFAOYSA-N 1 0 467.617 4.656 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(F)c1 ZINC000022756077 555954106 /nfs/dbraw/zinc/95/41/06/555954106.db2.gz BOXFQUZAJTZFPR-IBGZPJMESA-N 1 0 472.914 4.528 50 0 JJAARO Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CC[NH2+]CC3)C[C@@H]2C)c1 ZINC000015722079 555956607 /nfs/dbraw/zinc/95/66/07/555956607.db2.gz PUMCTTUBOKUHEK-FQEVSTJZSA-N 1 0 478.040 4.652 50 0 JJAARO O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000012374924 555961843 /nfs/dbraw/zinc/96/18/43/555961843.db2.gz DGAPBPNCAPQCNK-UHFFFAOYSA-N 1 0 499.537 4.735 50 0 JJAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3 ZINC000012377172 555965346 /nfs/dbraw/zinc/96/53/46/555965346.db2.gz MEMMJGXLTRSCSG-DYESRHJHSA-N 1 0 484.522 4.935 50 0 JJAARO CN1CC[NH+]([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2cccs2)CC1 ZINC000022917282 555971034 /nfs/dbraw/zinc/97/10/34/555971034.db2.gz UQBPAFAPWZUKAA-IBGZPJMESA-N 1 0 476.675 4.704 50 0 JJAARO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C[C@H](C)O1 ZINC000012436521 555979795 /nfs/dbraw/zinc/97/97/95/555979795.db2.gz JYYUZJCGIJKDKE-JKIFEVAISA-N 1 0 496.243 4.790 50 0 JJAARO CC[NH+]1CCN(CCOc2ccc3c(c2)oc(C)c(-c2ccc(Br)cc2)c3=O)CC1 ZINC000022933414 555985893 /nfs/dbraw/zinc/98/58/93/555985893.db2.gz FTAYDRSQJIYXIZ-UHFFFAOYSA-N 1 0 471.395 4.547 50 0 JJAARO CCOC(=O)c1ccccc1NC(=O)c1cnn(-c2cccc(Cl)c2C)c1C1CC[NH2+]CC1 ZINC000015772718 555992006 /nfs/dbraw/zinc/99/20/06/555992006.db2.gz CPMQKPBPNPEFPJ-UHFFFAOYSA-N 1 0 466.969 4.730 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773996 555992361 /nfs/dbraw/zinc/99/23/61/555992361.db2.gz MDODVCQVEZXONF-LJAQVGFWSA-N 1 0 481.640 4.719 50 0 JJAARO COc1ccc(-c2nc(CSCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(C)o2)cc1OC ZINC000015879172 556051483 /nfs/dbraw/zinc/05/14/83/556051483.db2.gz ALOPWXGTCHNKJX-UHFFFAOYSA-N 1 0 495.645 4.681 50 0 JJAARO Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)c3)n2)o1 ZINC000023428097 556054669 /nfs/dbraw/zinc/05/46/69/556054669.db2.gz WRVAEKFZRUPZTP-SFHVURJKSA-N 1 0 464.614 4.523 50 0 JJAARO CCOC(=O)c1c(NC(=O)[C@@H](NCCC[NH+](CC)CC)c2ccccc2)sc2c1CCCC2 ZINC000012565744 556063336 /nfs/dbraw/zinc/06/33/36/556063336.db2.gz IAHUYHWZBMQYTM-QHCPKHFHSA-N 1 0 471.667 4.805 50 0 JJAARO CCOC(=O)c1nn(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)c2c1Cc1ccccc1-2 ZINC000023448611 556064176 /nfs/dbraw/zinc/06/41/76/556064176.db2.gz OEQXWZJBTWTPKW-FQEVSTJZSA-N 1 0 488.632 4.861 50 0 JJAARO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc1I ZINC000015946351 556082816 /nfs/dbraw/zinc/08/28/16/556082816.db2.gz UFLVCKIGSJEZAU-QGZVFWFLSA-N 1 0 483.375 4.557 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(OC)cc4)cc2)N3)C1 ZINC000015947418 556085549 /nfs/dbraw/zinc/08/55/49/556085549.db2.gz VCNQZWSXROPYAL-QFIPXVFZSA-N 1 0 463.559 4.783 50 0 JJAARO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736635 556105768 /nfs/dbraw/zinc/10/57/68/556105768.db2.gz HJTHFUNSTIPAKL-GTNSWQLSSA-N 1 0 460.283 4.950 50 0 JJAARO C[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000012736631 556105811 /nfs/dbraw/zinc/10/58/11/556105811.db2.gz HJTHFUNSTIPAKL-APPDUMDISA-N 1 0 460.283 4.950 50 0 JJAARO O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000024929207 556164438 /nfs/dbraw/zinc/16/44/38/556164438.db2.gz FVTYPZAFOQXJGZ-IBGZPJMESA-N 1 0 499.061 4.793 50 0 JJAARO CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1Cl ZINC000013003647 556195968 /nfs/dbraw/zinc/19/59/68/556195968.db2.gz BWXMRRYYOLROTN-UHFFFAOYSA-N 1 0 498.476 4.813 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017041123 556207788 /nfs/dbraw/zinc/20/77/88/556207788.db2.gz IPFONIWPBSZRIE-GDLZYMKVSA-N 1 0 480.612 4.526 50 0 JJAARO COc1cc(C[NH2+][C@H](C)c2ccccn2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000025358971 556210496 /nfs/dbraw/zinc/21/04/96/556210496.db2.gz KBXRCKQYGRZMIM-MRXNPFEDSA-N 1 0 459.468 4.977 50 0 JJAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCCCC2)cc1 ZINC000027580477 556300154 /nfs/dbraw/zinc/30/01/54/556300154.db2.gz PRFABDABBIKQGD-JOCHJYFZSA-N 1 0 461.400 4.570 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)cc2C)CC1 ZINC000013114481 556319418 /nfs/dbraw/zinc/31/94/18/556319418.db2.gz KZBACOTVDVRNEL-MHZLTWQESA-N 1 0 469.585 4.843 50 0 JJAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cc(=O)c2cc(Br)ccc2o1 ZINC000028289894 556327972 /nfs/dbraw/zinc/32/79/72/556327972.db2.gz GFXNKJCWYWMZNJ-QGZVFWFLSA-N 1 0 475.408 4.964 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccc(C(C)(C)C)cc1 ZINC000028289674 556328010 /nfs/dbraw/zinc/32/80/10/556328010.db2.gz SBCJYQHFFGBGAZ-IBGZPJMESA-N 1 0 471.395 4.886 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OCc4csc(C)n4)c3)c(C)c2)CC1 ZINC000029376473 556351327 /nfs/dbraw/zinc/35/13/27/556351327.db2.gz URLJAQDYUNRXED-UHFFFAOYSA-N 1 0 450.608 4.733 50 0 JJAARO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1 ZINC000013129814 556354042 /nfs/dbraw/zinc/35/40/42/556354042.db2.gz DXRJINNRJBOBIZ-HXUWFJFHSA-N 1 0 453.892 4.641 50 0 JJAARO CC1(C)Cc2c3c(ncn4nc(CSc5nc6ccccc6o5)nc34)sc2C(C)(C)[NH2+]1 ZINC000019593628 556355724 /nfs/dbraw/zinc/35/57/24/556355724.db2.gz VBNNSGOGAFSHQJ-UHFFFAOYSA-N 1 0 450.593 4.932 50 0 JJAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CC[NH+](C5CCCCC5)CC4)cc3)n2)cc1 ZINC000032579141 556446426 /nfs/dbraw/zinc/44/64/26/556446426.db2.gz MQZUAIQPTYXLPA-UHFFFAOYSA-N 1 0 460.578 4.568 50 0 JJAARO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCC2)cc1 ZINC000032622390 556452031 /nfs/dbraw/zinc/45/20/31/556452031.db2.gz TXQDHJKMFAYTMZ-NRFANRHFSA-N 1 0 454.368 4.979 50 0 JJAARO CCCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000032623556 556453367 /nfs/dbraw/zinc/45/33/67/556453367.db2.gz LQQGDUBGYXSMEX-JOCHJYFZSA-N 1 0 454.954 4.732 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c(C)c2)CC1 ZINC000032719534 556474296 /nfs/dbraw/zinc/47/42/96/556474296.db2.gz FZFDSTFXLWTNHB-HHHXNRCGSA-N 1 0 469.585 4.843 50 0 JJAARO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1 ZINC000008680399 562950854 /nfs/dbraw/zinc/95/08/54/562950854.db2.gz ZHPGEAXFYDMERE-UHFFFAOYSA-N 1 0 485.588 4.531 50 0 JJAARO C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000052509385 563204743 /nfs/dbraw/zinc/20/47/43/563204743.db2.gz ITTRLTNMFYIYPA-UHFFFAOYSA-N 1 0 494.983 4.551 50 0 in-vivo JJAARO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000058150018 569602184 /nfs/dbraw/zinc/60/21/84/569602184.db2.gz YUFWOTTZFBTBLM-UHFFFAOYSA-N 1 0 454.571 4.694 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983603 569606843 /nfs/dbraw/zinc/60/68/43/569606843.db2.gz LWFAJMMKHIQTSJ-HAFIMRKLSA-N 1 0 453.970 4.706 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983606 569606873 /nfs/dbraw/zinc/60/68/73/569606873.db2.gz LWFAJMMKHIQTSJ-BDFKGGEMSA-N 1 0 453.970 4.706 50 0 JJAARO C[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2)C1CCCCC1 ZINC000032984016 569607336 /nfs/dbraw/zinc/60/73/36/569607336.db2.gz KCPLDUFWNNVCPD-HAHDFKILSA-N 1 0 453.970 4.706 50 0 JJAARO CCOc1ccccc1Oc1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000059834433 569607818 /nfs/dbraw/zinc/60/78/18/569607818.db2.gz NHVMNAUTTFYEIT-UHFFFAOYSA-N 1 0 460.578 4.736 50 0 JJAARO C[C@@H](CCNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)[NH+]1CCCCCC1 ZINC000032995243 569610103 /nfs/dbraw/zinc/61/01/03/569610103.db2.gz WFEZQOPAPWCOJL-KRWDZBQOSA-N 1 0 478.062 4.537 50 0 JJAARO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000062587396 569611974 /nfs/dbraw/zinc/61/19/74/569611974.db2.gz NGZZRTPCQBKUAP-UHFFFAOYSA-N 1 0 499.633 4.736 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(Cn4c5ccccc5nc(C)c4=O)cc3)CC2)cc1 ZINC000033005905 569614575 /nfs/dbraw/zinc/61/45/75/569614575.db2.gz CQKKDUMSBUCPNM-UHFFFAOYSA-N 1 0 494.639 4.704 50 0 JJAARO COc1ccc(-c2nc3sc(N4CC[NH+](C5CCCCC5)CC4)nn3c2NC2CCCC2)cc1O ZINC000064746100 569625198 /nfs/dbraw/zinc/62/51/98/569625198.db2.gz BJNOFNZTPNXUEO-UHFFFAOYSA-N 1 0 496.681 4.981 50 0 JJAARO COc1ccccc1CCNC(=O)c1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000034684877 569644916 /nfs/dbraw/zinc/64/49/16/569644916.db2.gz COKMKMRQDUTLIL-UHFFFAOYSA-N 1 0 457.618 4.607 50 0 JJAARO COc1cccc(N2CC[NH+](C[C@H]3CN(C(=O)c4cccs4)C[C@@H]3c3cccc(F)c3)CC2)c1 ZINC000034698422 569647823 /nfs/dbraw/zinc/64/78/23/569647823.db2.gz XTJTWXAKSUYQSS-SQJMNOBHSA-N 1 0 479.621 4.574 50 0 JJAARO O=S(=O)(c1ccccc1)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C[NH+]2CCCCC2)C1 ZINC000034698685 569647869 /nfs/dbraw/zinc/64/78/69/569647869.db2.gz GUBZITOIJVFHPC-UGKGYDQZSA-N 1 0 452.542 4.596 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711150 569650738 /nfs/dbraw/zinc/65/07/38/569650738.db2.gz KVXBYQGFDCZYPW-FGZHOGPDSA-N 1 0 464.512 4.616 50 0 JJAARO Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000034725111 569652682 /nfs/dbraw/zinc/65/26/82/569652682.db2.gz NDPWWEYXZWTMKW-UHFFFAOYSA-N 1 0 480.678 4.562 50 0 JJAARO Cc1ccc(C(=O)NC[C@H]2CCCO2)c(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000034725674 569652793 /nfs/dbraw/zinc/65/27/93/569652793.db2.gz XYUJXYMBLDOAMJ-OAQYLSRUSA-N 1 0 461.528 4.697 50 0 JJAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cc(C)c(C)o3)CC2)cc1OC ZINC000034729895 569653304 /nfs/dbraw/zinc/65/33/04/569653304.db2.gz FVJUUYBROQNCCP-UHFFFAOYSA-N 1 0 491.632 4.969 50 0 JJAARO Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)NCCN3CC[NH+](C)CC3)o2)cc1 ZINC000065036846 569653612 /nfs/dbraw/zinc/65/36/12/569653612.db2.gz WAVXZPZOSMZOIV-UHFFFAOYSA-N 1 0 475.637 4.601 50 0 JJAARO CC(C)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000034761385 569657766 /nfs/dbraw/zinc/65/77/66/569657766.db2.gz RMVREOYNAPAVDM-JCMHNJIXSA-N 1 0 484.021 4.743 50 0 JJAARO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034830028 569663684 /nfs/dbraw/zinc/66/36/84/569663684.db2.gz SOJLYDRIXLJTLE-NDEPHWFRSA-N 1 0 487.669 4.633 50 0 JJAARO CCCCCC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830324 569663964 /nfs/dbraw/zinc/66/39/64/569663964.db2.gz KHSPAIOCCREAAE-RLWLMLJZSA-N 1 0 467.679 4.644 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc(C)cc3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831230 569664164 /nfs/dbraw/zinc/66/41/64/569664164.db2.gz IDAHRWFOQVEBGR-UHFFFAOYSA-N 1 0 459.638 4.682 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)NC(C)(C)C ZINC000034832190 569664446 /nfs/dbraw/zinc/66/44/46/569664446.db2.gz JGENHXCFJGWARU-IBGZPJMESA-N 1 0 472.653 4.570 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)Cc1ccccc1 ZINC000034832056 569664464 /nfs/dbraw/zinc/66/44/64/569664464.db2.gz XNPTUEGDABWFAR-JOCHJYFZSA-N 1 0 491.655 4.832 50 0 JJAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1cccs1 ZINC000034834632 569664806 /nfs/dbraw/zinc/66/48/06/569664806.db2.gz HVPJANIGCYPKDH-UHFFFAOYSA-N 1 0 465.667 4.683 50 0 JJAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)COc1ccccc1 ZINC000034834974 569664877 /nfs/dbraw/zinc/66/48/77/569664877.db2.gz RJRHLSRVMKDTIC-QHCPKHFHSA-N 1 0 489.664 4.529 50 0 JJAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)NC1CCCCC1 ZINC000034835240 569664971 /nfs/dbraw/zinc/66/49/71/569664971.db2.gz MPXIRWCDXTXQGR-JOCHJYFZSA-N 1 0 480.701 4.965 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)C1CCCCC1 ZINC000034835494 569665132 /nfs/dbraw/zinc/66/51/32/569665132.db2.gz PSNVJDMRZNYECG-UHFFFAOYSA-N 1 0 469.649 4.781 50 0 JJAARO CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](CC)CC2)c1CN(CC)Cc1ccsc1 ZINC000034836361 569665249 /nfs/dbraw/zinc/66/52/49/569665249.db2.gz IMIRMFHQFXFVHF-UHFFFAOYSA-N 1 0 455.647 4.799 50 0 JJAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(CCOC)Cc1ccccc1Cl ZINC000034836992 569666285 /nfs/dbraw/zinc/66/62/85/569666285.db2.gz RQVVWPLIXYKKGF-UHFFFAOYSA-N 1 0 496.099 4.879 50 0 JJAARO CCCCCc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCCCC4)CC3)CC2)cc1 ZINC000034912189 569671574 /nfs/dbraw/zinc/67/15/74/569671574.db2.gz SBZINVATAXWDLL-UHFFFAOYSA-N 1 0 453.671 4.748 50 0 JJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000034912447 569671774 /nfs/dbraw/zinc/67/17/74/569671774.db2.gz WWIZJTKDBKFKNB-UHFFFAOYSA-N 1 0 488.459 4.969 50 0 JJAARO C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3cccc(OCc4cccc(F)c4)c3)CC2)C[C@H](C)O1 ZINC000065606735 569676253 /nfs/dbraw/zinc/67/62/53/569676253.db2.gz QIQAHTDQJPACTQ-BGYRXZFFSA-N 1 0 455.574 4.758 50 0 JJAARO CN1C[C@]2(CC[C@@H]3[C@H]4CC=C5CC6(CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO6)OC12CC[NH+](C)CC2 ZINC000035361527 569682154 /nfs/dbraw/zinc/68/21/54/569682154.db2.gz YMCDKPBEFRXSQH-DSKHAUODSA-N 1 0 470.698 4.815 50 0 biogenic JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397193 569687941 /nfs/dbraw/zinc/68/79/41/569687941.db2.gz FYVXAHGUCVOVFA-UHFFFAOYSA-N 1 0 489.414 4.583 50 0 JJAARO Cc1nnc(SCc2c3ccccc3oc2C(=O)NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000068812512 569692170 /nfs/dbraw/zinc/69/21/70/569692170.db2.gz FRVIGYOLVZVBAT-UHFFFAOYSA-N 1 0 488.704 4.976 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000072280448 569701719 /nfs/dbraw/zinc/70/17/19/569701719.db2.gz KAYSHVRBJJADMY-RUZDIDTESA-N 1 0 492.019 4.584 50 0 JJAARO CCN1CCN(C(=O)C2CC[NH+](Cc3cc4ccccc4n3Cc3cccc(Cl)c3)CC2)CC1 ZINC000035561571 569704493 /nfs/dbraw/zinc/70/44/93/569704493.db2.gz HLHMAMIYULDFQM-UHFFFAOYSA-N 1 0 479.068 4.719 50 0 JJAARO C[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562084 569704630 /nfs/dbraw/zinc/70/46/30/569704630.db2.gz ZWEOJWZXYRSMEE-LJQANCHMSA-N 1 0 481.040 4.558 50 0 JJAARO CC[N@H+](CCCNC(=O)C1CCN(c2ccnc(-c3cccc(C)c3)n2)CC1)Cc1ccccc1 ZINC000085649118 569712179 /nfs/dbraw/zinc/71/21/79/569712179.db2.gz GDFQIAXTRPVCJU-UHFFFAOYSA-N 1 0 471.649 4.697 50 0 JJAARO Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2cccs2)o1 ZINC000035809328 569712366 /nfs/dbraw/zinc/71/23/66/569712366.db2.gz IACOGTWVPYUIIC-UHFFFAOYSA-N 1 0 493.673 4.849 50 0 JJAARO CC[NH+]1CCN(c2c(C)c(C(=O)N[C@H](C)c3ccccc3)n(Cc3ccc(F)cc3)c2C)CC1 ZINC000035835083 569713304 /nfs/dbraw/zinc/71/33/04/569713304.db2.gz VQRPFEZJBDWZMV-OAQYLSRUSA-N 1 0 462.613 4.925 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)C2 ZINC000035871761 569718939 /nfs/dbraw/zinc/71/89/39/569718939.db2.gz MERTWDHXFPMKRY-IYKJZBSOSA-N 1 0 473.592 4.575 50 0 JJAARO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)c1 ZINC000035871984 569719022 /nfs/dbraw/zinc/71/90/22/569719022.db2.gz YPEURFYYLXTQCU-ISKFKSNPSA-N 1 0 473.539 4.958 50 0 JJAARO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000035925696 569729071 /nfs/dbraw/zinc/72/90/71/569729071.db2.gz BIXZWZICVMRFIB-UHFFFAOYSA-N 1 0 458.585 4.865 50 0 JJAARO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4ccccn4)CC3)n2)cc1 ZINC000035927818 569730730 /nfs/dbraw/zinc/73/07/30/569730730.db2.gz TXNJNNPHGYMZPK-UHFFFAOYSA-N 1 0 489.627 4.822 50 0 JJAARO CC[C@@H](NC(=O)Cc1ccccc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccccc1 ZINC000036048333 569755934 /nfs/dbraw/zinc/75/59/34/569755934.db2.gz UULIMZKPEUSURA-IRPSRAIASA-N 1 0 458.602 4.941 50 0 JJAARO CCCC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036313800 569761188 /nfs/dbraw/zinc/76/11/88/569761188.db2.gz WKONWJWEWNAHPJ-JOCHJYFZSA-N 1 0 467.610 4.888 50 0 JJAARO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000036313962 569761702 /nfs/dbraw/zinc/76/17/02/569761702.db2.gz MZRPBXXRJOLCOJ-DEOSSOPVSA-N 1 0 481.637 4.814 50 0 JJAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1cccc(Cl)c1 ZINC000036316560 569763302 /nfs/dbraw/zinc/76/33/02/569763302.db2.gz BXJCZISSAUOVJH-UHFFFAOYSA-N 1 0 451.014 4.589 50 0 JJAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000036340152 569763566 /nfs/dbraw/zinc/76/35/66/569763566.db2.gz GSHGTYFPTCOJEC-SANMLTNESA-N 1 0 488.676 4.649 50 0 JJAARO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000036343213 569766323 /nfs/dbraw/zinc/76/63/23/569766323.db2.gz NKCGNOWARORXHG-DEOSSOPVSA-N 1 0 453.558 4.785 50 0 JJAARO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000036344228 569766867 /nfs/dbraw/zinc/76/68/67/569766867.db2.gz PNKCHSXWLUQKDV-HXOBKFHXSA-N 1 0 455.986 4.909 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346103 569769004 /nfs/dbraw/zinc/76/90/04/569769004.db2.gz QGJMAYSCTSWGFY-JOCHJYFZSA-N 1 0 453.558 4.722 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036346713 569770539 /nfs/dbraw/zinc/77/05/39/569770539.db2.gz DJYICQZOZCXBFD-JOCHJYFZSA-N 1 0 459.537 4.859 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)COCC ZINC000036346671 569770559 /nfs/dbraw/zinc/77/05/59/569770559.db2.gz QKTSHMOZZUXPFN-QFIPXVFZSA-N 1 0 459.537 4.861 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)COCC ZINC000036346766 569770872 /nfs/dbraw/zinc/77/08/72/569770872.db2.gz FGXFKHKIMRDNLO-JOCHJYFZSA-N 1 0 459.537 4.861 50 0 JJAARO CCCCC[NH2+]Cc1cc(Br)c(OCC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000036611743 569777710 /nfs/dbraw/zinc/77/77/10/569777710.db2.gz YKHYMOMQWUDNBT-UHFFFAOYSA-N 1 0 465.388 4.764 50 0 JJAARO COc1ccc(-c2cc(C(F)F)nc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1OC ZINC000036613708 569778141 /nfs/dbraw/zinc/77/81/41/569778141.db2.gz RUSNWZXPTHDMAZ-UHFFFAOYSA-N 1 0 454.521 4.729 50 0 JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CC[N@@H+]1CCCC[C@@H]1C)C3=O ZINC000037006512 569780991 /nfs/dbraw/zinc/78/09/91/569780991.db2.gz DFZWUBQPEXQPLL-LGGPFLRQSA-N 1 0 494.680 4.578 50 0 JJAARO O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1cccc(CC(=O)NCC[NH+]2CCCC2)c1 ZINC000037600632 569796862 /nfs/dbraw/zinc/79/68/62/569796862.db2.gz YTASUPQXFSWWKF-WUKNDPDISA-N 1 0 467.613 4.688 50 0 JJAARO CCc1cc([C@H](c2ccc3c(c2)OCO3)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546556 569803287 /nfs/dbraw/zinc/80/32/87/569803287.db2.gz DJAWPJLXGJPUOQ-QHCPKHFHSA-N 1 0 467.591 4.611 50 0 JJAARO O=C(C[NH2+]C1(c2ccc(Br)cc2)CCOCC1)Nc1ccccc1C(F)(F)F ZINC000040155685 569820802 /nfs/dbraw/zinc/82/08/02/569820802.db2.gz BLIBEFKXDBYVOS-UHFFFAOYSA-N 1 0 457.290 4.702 50 0 JJAARO COc1ccccc1[C@@H](CNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl)[NH+]1CCCCC1 ZINC000040156819 569821367 /nfs/dbraw/zinc/82/13/67/569821367.db2.gz FXBWHUOKDDFMGR-OAQYLSRUSA-N 1 0 470.976 4.939 50 0 JJAARO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000040157902 569821836 /nfs/dbraw/zinc/82/18/36/569821836.db2.gz VMRBFEVPGQPSCR-LPHOPBHVSA-N 1 0 461.400 4.764 50 0 JJAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983083 569847990 /nfs/dbraw/zinc/84/79/90/569847990.db2.gz ZTJDULXERPKFLT-WOJBJXKFSA-N 1 0 451.394 4.775 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000104983367 569848288 /nfs/dbraw/zinc/84/82/88/569848288.db2.gz XNFRTBQDIRKQFD-AZGAKELHSA-N 1 0 478.564 4.578 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104984505 569848558 /nfs/dbraw/zinc/84/85/58/569848558.db2.gz QHKWLNBGJNTFPS-FCHUYYIVSA-N 1 0 468.491 4.626 50 0 JJAARO CC(C)[C@H]([NH2+]CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000049574720 569848839 /nfs/dbraw/zinc/84/88/39/569848839.db2.gz QLIVVOVTXFWNCE-IGKIAQTJSA-N 1 0 486.678 4.830 50 0 JJAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](CCC(C)C)C[C@H](C)O)c(C)c1 ZINC000105004054 569849625 /nfs/dbraw/zinc/84/96/25/569849625.db2.gz XHBHCFTYTJAZIQ-GMAHTHKFSA-N 1 0 458.668 4.599 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000105061784 569852701 /nfs/dbraw/zinc/85/27/01/569852701.db2.gz VSGIDOHNUYLSLK-AMGIVPHBSA-N 1 0 487.669 4.767 50 0 JJAARO O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000106184156 569853870 /nfs/dbraw/zinc/85/38/70/569853870.db2.gz JGZJPFRDENZGEL-RRPNLBNLSA-N 1 0 455.602 4.615 50 0 JJAARO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCCC3)C[C@@H]12 ZINC000169678707 569869146 /nfs/dbraw/zinc/86/91/46/569869146.db2.gz ILWGUXWWMDHOTC-GMAHTHKFSA-N 1 0 461.528 4.610 50 0 JJAARO CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)CC ZINC000169680262 569870383 /nfs/dbraw/zinc/87/03/83/569870383.db2.gz DBNWJYYACMNNQO-LEDOBFOHSA-N 1 0 462.631 4.511 50 0 JJAARO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169681927 569870937 /nfs/dbraw/zinc/87/09/37/569870937.db2.gz BFKXPQQAJYTDHD-UPVQGACJSA-N 1 0 475.530 4.766 50 0 JJAARO CCOC(=O)c1c2cc(O)c(Br)cc2n(-c2ccccc2)c1CNCC[NH+](CC)CC ZINC000208014413 569874885 /nfs/dbraw/zinc/87/48/85/569874885.db2.gz DPYLWGPHBPOKQL-UHFFFAOYSA-N 1 0 488.426 4.707 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@H](C(=O)NCc1ccccc1)C2 ZINC000230128859 570045211 /nfs/dbraw/zinc/04/52/11/570045211.db2.gz ZEFCGJSJTKYJJU-VPUSJEBWSA-N 1 0 476.020 4.528 50 0 JJAARO COc1ccc2c(c1)N1CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1[C@@H](C(=O)NCc1ccccc1)C2 ZINC000230128853 570045276 /nfs/dbraw/zinc/04/52/76/570045276.db2.gz ZEFCGJSJTKYJJU-BDYUSTAISA-N 1 0 476.020 4.528 50 0 JJAARO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN(c3ccc(C(F)(F)F)cn3)C[C@H]2C)CC1 ZINC000240122400 570052927 /nfs/dbraw/zinc/05/29/27/570052927.db2.gz VYJZTUUHWKPPHK-LJQANCHMSA-N 1 0 460.544 4.533 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245279492 570061526 /nfs/dbraw/zinc/06/15/26/570061526.db2.gz GGBVMSNYIDJUPB-XZOQPEGZSA-N 1 0 497.611 4.785 50 0 JJAARO CC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)CC(C)C ZINC000245327085 570065133 /nfs/dbraw/zinc/06/51/33/570065133.db2.gz ISENYQZDMULMJQ-DENIHFKCSA-N 1 0 465.059 4.635 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)nc3ccccc32)cc1 ZINC000247922762 570071247 /nfs/dbraw/zinc/07/12/47/570071247.db2.gz YGFQKQVSLJASEJ-RUZDIDTESA-N 1 0 482.628 4.664 50 0 JJAARO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988554 570072260 /nfs/dbraw/zinc/07/22/60/570072260.db2.gz JTMQYPCKIRZJKZ-KRWDZBQOSA-N 1 0 455.400 4.525 50 0 JJAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 ZINC000248026018 570073003 /nfs/dbraw/zinc/07/30/03/570073003.db2.gz WGUNSGZUWRTLRF-NRFANRHFSA-N 1 0 480.056 4.831 50 0 JJAARO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4ccc(Cl)cc4)N4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248079626 570073563 /nfs/dbraw/zinc/07/35/63/570073563.db2.gz CMIBTSDRLYJTPQ-ZYQDXHPFSA-N 1 0 483.955 4.803 50 0 JJAARO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248268450 570077259 /nfs/dbraw/zinc/07/72/59/570077259.db2.gz YQYIWBRRLBETBL-GOSISDBHSA-N 1 0 469.427 4.916 50 0 JJAARO Clc1ccc(Cn2nc(C[NH2+]CCOc3ccccn3)c(-c3ccccc3)n2)cc1Cl ZINC000261491703 570169790 /nfs/dbraw/zinc/16/97/90/570169790.db2.gz DRISJIZGIIEEEX-UHFFFAOYSA-N 1 0 454.361 4.864 50 0 JJAARO COc1ccc2cc(CN(CC[NH+](C)C)C(=O)c3cncs3)c(-c3cccs3)nc2c1 ZINC000299765129 570175067 /nfs/dbraw/zinc/17/50/67/570175067.db2.gz WOLYJGKCDLDUNO-UHFFFAOYSA-N 1 0 452.605 4.632 50 0 JJAARO COc1ccc(C[C@@H](C)[NH+]2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3Cc2ccccc2)cc1 ZINC000299777970 570176118 /nfs/dbraw/zinc/17/61/18/570176118.db2.gz OLFUERRCTZIHHC-HSZRJFAPSA-N 1 0 498.627 4.520 50 0 JJAARO O=C1N(Cc2ccccc2)C(=O)C2(CC[NH+](CCc3ccccc3)CC2)N1CCc1ccccc1 ZINC000299780994 570176505 /nfs/dbraw/zinc/17/65/05/570176505.db2.gz CXBFAEFBOWPNBR-UHFFFAOYSA-N 1 0 467.613 4.771 50 0 JJAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]C[C@@H](c3ccc(F)cc3)N3CCCC3)CC2)cc1 ZINC000299795150 570177166 /nfs/dbraw/zinc/17/71/66/570177166.db2.gz LIHWZAIWKJSWQE-NDEPHWFRSA-N 1 0 478.656 4.894 50 0 JJAARO CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)[C@@H]2c2cccnc2)cc1 ZINC000001432110 194120030 /nfs/dbraw/zinc/12/00/30/194120030.db2.gz UZYFIOITHWOHCI-VWLOTQADSA-N 1 0 458.949 4.568 50 0 JJAARO CC[NH+](CC)CCOC(=O)c1oc2c(cc(Br)c(OC)c2Br)c1C ZINC000002008646 194156276 /nfs/dbraw/zinc/15/62/76/194156276.db2.gz WBZNPGMWRPBCQZ-UHFFFAOYSA-N 1 0 463.166 4.773 50 0 JJAARO O[C@]1(c2ccc(OC(F)F)cc2)CN2CCCCCC2=[N+]1c1ccc(Br)cc1 ZINC000003213942 194240098 /nfs/dbraw/zinc/24/00/98/194240098.db2.gz NMPUEKZHXNNGOE-NRFANRHFSA-N 1 0 452.319 4.701 50 0 JJAARO CCOC(=O)c1c(NC(=O)[C@H](C)[NH2+]Cc2ccc(C)cc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000003293938 194268759 /nfs/dbraw/zinc/26/87/59/194268759.db2.gz CZIIJHSFKZWQFW-FQEVSTJZSA-N 1 0 491.657 4.908 50 0 JJAARO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000003821115 194361858 /nfs/dbraw/zinc/36/18/58/194361858.db2.gz ODZUETXEDAFLSP-UHFFFAOYSA-N 1 0 497.614 4.989 50 0 JJAARO COc1ccccc1CNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000003960244 194367694 /nfs/dbraw/zinc/36/76/94/194367694.db2.gz ZWEPAXFZVYRHCT-UHFFFAOYSA-N 1 0 453.970 4.840 50 0 JJAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4C)oc3C)CC2)cc1OC ZINC000004035584 194371624 /nfs/dbraw/zinc/37/16/24/194371624.db2.gz COAXYFCHSALIKC-UHFFFAOYSA-N 1 0 477.605 4.547 50 0 JJAARO Cc1ccc(-c2nnc(Cl)c3ccccc32)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004482265 194390907 /nfs/dbraw/zinc/39/09/07/194390907.db2.gz XLFGCLQSJVHREB-UHFFFAOYSA-N 1 0 473.042 4.846 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000004757266 194394818 /nfs/dbraw/zinc/39/48/18/194394818.db2.gz YVYMPKBXSAUQME-RSXGOPAZSA-N 1 0 469.601 4.557 50 0 JJAARO Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc12 ZINC000009305267 194676984 /nfs/dbraw/zinc/67/69/84/194676984.db2.gz INJYPYZLNYCRKR-UHFFFAOYSA-N 1 0 464.537 4.963 50 0 JJAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433703 194780014 /nfs/dbraw/zinc/78/00/14/194780014.db2.gz RRKXINANZRDBNY-LOSJGSFVSA-N 1 0 465.663 4.964 50 0 JJAARO CC(C)[NH+](CCn1c(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)nc2ccccc2c1=O)C(C)C ZINC000012608783 195053002 /nfs/dbraw/zinc/05/30/02/195053002.db2.gz CVLRFYQDIRPMBE-HXUWFJFHSA-N 1 0 495.693 4.701 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1 ZINC000012676700 195082605 /nfs/dbraw/zinc/08/26/05/195082605.db2.gz YEBRVGPNNSGRIZ-UHFFFAOYSA-N 1 0 450.608 4.505 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCc3ccc(F)cc3)c(=O)cc21 ZINC000012658186 195078562 /nfs/dbraw/zinc/07/85/62/195078562.db2.gz HLFKXTSKJNTLAE-NRFANRHFSA-N 1 0 464.537 4.698 50 0 biogenic JJAARO CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000012757526 195109091 /nfs/dbraw/zinc/10/90/91/195109091.db2.gz BTLGIICYJQKIDM-UHFFFAOYSA-N 1 0 492.689 4.801 50 0 JJAARO COc1cccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)[NH+]2CCCC2)c1 ZINC000012807353 195142285 /nfs/dbraw/zinc/14/22/85/195142285.db2.gz BYIGIVOUTMVPLL-XZOQPEGZSA-N 1 0 492.447 4.710 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000012812750 195145314 /nfs/dbraw/zinc/14/53/14/195145314.db2.gz LHRMHAUVXDSDBH-SANMLTNESA-N 1 0 462.594 4.884 50 0 JJAARO COc1ccccc1[C@H](CNC(=O)COc1ccc(C2SCCCS2)cc1)[NH+]1CCCC1 ZINC000012820359 195149166 /nfs/dbraw/zinc/14/91/66/195149166.db2.gz NUIBUIUTTYPYHC-QFIPXVFZSA-N 1 0 472.676 4.896 50 0 JJAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020678179 195203085 /nfs/dbraw/zinc/20/30/85/195203085.db2.gz PKNHUCDDSMHDDL-UHFFFAOYSA-N 1 0 497.643 4.700 50 0 JJAARO C[N@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)CCc1ccccc1 ZINC000020728592 195208950 /nfs/dbraw/zinc/20/89/50/195208950.db2.gz YLCXMCZIONKLSV-NCELDCMTSA-N 1 0 457.599 4.676 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@@H+]5CCCC[C@H]35)CO4)c2=O)cc1 ZINC000020761369 195217835 /nfs/dbraw/zinc/21/78/35/195217835.db2.gz XPTWAYCLCYQFRO-NBGIEHNGSA-N 1 0 460.574 4.885 50 0 biogenic JJAARO COc1ccc(OC)c(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CO4)c1 ZINC000020761072 195217886 /nfs/dbraw/zinc/21/78/86/195217886.db2.gz RFHPIVVDFZNQKA-NBGIEHNGSA-N 1 0 490.600 4.894 50 0 biogenic JJAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCC[NH+]1CCCCC1)C3=O ZINC000020903212 195242876 /nfs/dbraw/zinc/24/28/76/195242876.db2.gz XJZRVAPPCXTCLO-GDLZYMKVSA-N 1 0 494.680 4.579 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903415 195243345 /nfs/dbraw/zinc/24/33/45/195243345.db2.gz CZLFGPGOHKLNOZ-MNNSJKJDSA-N 1 0 478.681 4.959 50 0 JJAARO CC[C@@H](C)[N@H+](CCNC(=O)c1ccc(NC(=O)C2=C(C)OCCS2)cc1)Cc1cccs1 ZINC000020919614 195247047 /nfs/dbraw/zinc/24/70/47/195247047.db2.gz XBLMAVRBTWSZMV-QGZVFWFLSA-N 1 0 473.664 4.712 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000020861818 195233535 /nfs/dbraw/zinc/23/35/35/195233535.db2.gz SKVKAMZWQCZCPT-RUZDIDTESA-N 1 0 473.665 4.518 50 0 JJAARO COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(C)c(Cl)c3)c2C2CC[NH2+]CC2)c1 ZINC000020941029 195255657 /nfs/dbraw/zinc/25/56/57/195255657.db2.gz XXMOHWFEVVDYKL-UHFFFAOYSA-N 1 0 454.958 4.571 50 0 JJAARO COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CC[NH2+]CC2)cc1Cl ZINC000020941357 195255673 /nfs/dbraw/zinc/25/56/73/195255673.db2.gz RPLONMZWWFZWKF-UHFFFAOYSA-N 1 0 468.985 4.879 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000020943338 195256345 /nfs/dbraw/zinc/25/63/45/195256345.db2.gz IMCNUUHQSPFLRR-UHFFFAOYSA-N 1 0 453.590 4.740 50 0 JJAARO O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000020936753 195253082 /nfs/dbraw/zinc/25/30/82/195253082.db2.gz LFZUXPCXYMYYCL-UHFFFAOYSA-N 1 0 484.431 4.609 50 0 JJAARO Cc1ccc(C[N@@H+]2CC[C@H](CNS(=O)(=O)c3cc4[nH]c5c(c4cc3C)C(=O)CC(C)(C)C5)C2)cc1 ZINC000020990103 195262194 /nfs/dbraw/zinc/26/21/94/195262194.db2.gz CABXBAYZBALCFC-OAQYLSRUSA-N 1 0 493.673 4.740 50 0 JJAARO O=C(CC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cc(-c2ccccc2)n[nH]1 ZINC000020994624 195263445 /nfs/dbraw/zinc/26/34/45/195263445.db2.gz CDDJAIOACBTRMX-HHHXNRCGSA-N 1 0 452.558 4.719 50 0 JJAARO Cc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)cc3ccccc32)cc1 ZINC000021116168 195278461 /nfs/dbraw/zinc/27/84/61/195278461.db2.gz LTUFOQRJEGFLRG-UHFFFAOYSA-N 1 0 487.644 4.576 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021364817 195299893 /nfs/dbraw/zinc/29/98/93/195299893.db2.gz ZELVVVJQCZCSFK-NDEPHWFRSA-N 1 0 482.669 4.924 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526010 195304641 /nfs/dbraw/zinc/30/46/41/195304641.db2.gz ZXQHCCHVALDCJX-AREMUKBSSA-N 1 0 472.699 4.878 50 0 JJAARO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CC[NH+](CC)CC)C3=O)s1 ZINC000021526022 195304948 /nfs/dbraw/zinc/30/49/48/195304948.db2.gz NJOKKZLYXOFOEK-SANMLTNESA-N 1 0 472.699 4.661 50 0 JJAARO O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021530377 195308530 /nfs/dbraw/zinc/30/85/30/195308530.db2.gz KZIFZRRTJGMGSN-MHZLTWQESA-N 1 0 471.576 4.694 50 0 JJAARO O=C(C[C@H](c1cccs1)N1Cc2ccccc2C1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000021530498 195308624 /nfs/dbraw/zinc/30/86/24/195308624.db2.gz ICQFAIZFNIOJPK-XMMPIXPASA-N 1 0 459.615 4.616 50 0 JJAARO CC1CCC(NC(=O)[C@@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000021808715 195323903 /nfs/dbraw/zinc/32/39/03/195323903.db2.gz AOHCRGBTPUFLDL-DNGGPVNVSA-N 1 0 484.710 4.877 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916281 195332327 /nfs/dbraw/zinc/33/23/27/195332327.db2.gz JIPVBZIIPNJSSZ-QFIPXVFZSA-N 1 0 462.638 4.985 50 0 JJAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934203 195335983 /nfs/dbraw/zinc/33/59/83/195335983.db2.gz BJXWMTTYCOSDFA-UHFFFAOYSA-N 1 0 450.586 4.981 50 0 JJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000021934645 195336031 /nfs/dbraw/zinc/33/60/31/195336031.db2.gz APWQTQPBRYJYKD-UHFFFAOYSA-N 1 0 479.628 4.856 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccco1 ZINC000058022961 195363039 /nfs/dbraw/zinc/36/30/39/195363039.db2.gz IYLQZWBYKXAPLK-UFSNDUKISA-N 1 0 467.566 4.685 50 0 JJAARO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000058157155 195367499 /nfs/dbraw/zinc/36/74/99/195367499.db2.gz CZVOSTMSIOBOLH-UHFFFAOYSA-N 1 0 456.306 4.600 50 0 JJAARO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000058160794 195368927 /nfs/dbraw/zinc/36/89/27/195368927.db2.gz UTUGWPSKTQMAEX-WOJBJXKFSA-N 1 0 465.619 4.590 50 0 JJAARO O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058170277 195370665 /nfs/dbraw/zinc/37/06/65/195370665.db2.gz LPLZMMSQRQAFMR-UHFFFAOYSA-N 1 0 469.614 4.709 50 0 JJAARO CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000058217465 195373819 /nfs/dbraw/zinc/37/38/19/195373819.db2.gz JVZRARCVOJHXPK-UMTXDNHDSA-N 1 0 465.638 4.586 50 0 JJAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)C1 ZINC000059057620 195387104 /nfs/dbraw/zinc/38/71/04/195387104.db2.gz MDATUSGUSNMDKP-SZPZYZBQSA-N 1 0 479.690 4.809 50 0 JJAARO Cc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)n2)cc1 ZINC000062733102 195430299 /nfs/dbraw/zinc/43/02/99/195430299.db2.gz NCNYDEKKWMBOPX-UHFFFAOYSA-N 1 0 481.600 4.939 50 0 JJAARO COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000096280768 130026337 /nfs/dbraw/zinc/02/63/37/130026337.db2.gz YDBBBZRQRFMRDR-UHFFFAOYSA-N 1 0 477.580 4.856 50 0 JJAARO Cc1cc(-c2cc(S(=O)(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)c(C)s2)n[nH]1 ZINC000096341466 130073606 /nfs/dbraw/zinc/07/36/06/130073606.db2.gz RTNCLPZZUQSFFM-UHFFFAOYSA-N 1 0 479.071 4.599 50 0 JJAARO C/C(=C\c1ccco1)C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000014881614 518449524 /nfs/dbraw/zinc/44/95/24/518449524.db2.gz UYEQPNQQJGQRQV-MSMNXAATSA-N 1 0 475.637 4.967 50 0 JJAARO CC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccc4c3OCO4)CC2)[C@H]1OCc1ccccc1 ZINC000014992240 519691142 /nfs/dbraw/zinc/69/11/42/519691142.db2.gz QHFXYLAQJNCYDF-PXJZQJOASA-N 1 0 484.596 4.725 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302321 520155773 /nfs/dbraw/zinc/15/57/73/520155773.db2.gz QWGHOGGOZYVWJD-HSZRJFAPSA-N 1 0 465.594 4.591 50 0 JJAARO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)[C@@H](C)C(C)(C)O ZINC000036310214 520317648 /nfs/dbraw/zinc/31/76/48/520317648.db2.gz DPLQSDFGFXYKHN-CVDCTZTESA-N 1 0 458.668 4.858 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002890285 520603677 /nfs/dbraw/zinc/60/36/77/520603677.db2.gz ZDDVNPDYMJGXMP-JOCHJYFZSA-N 1 0 454.954 4.732 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000002890267 520604439 /nfs/dbraw/zinc/60/44/39/520604439.db2.gz DZCQRCNWEWXRIL-OAQYLSRUSA-N 1 0 487.369 4.972 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000021664244 520616879 /nfs/dbraw/zinc/61/68/79/520616879.db2.gz NMBNMUPRIDGNEY-FQEVSTJZSA-N 1 0 484.710 4.763 50 0 JJAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014748466 520665356 /nfs/dbraw/zinc/66/53/56/520665356.db2.gz QHSAMCZRJGZYMH-VQTJNVASSA-N 1 0 464.528 4.844 50 0 JJAARO CCOc1ccc(C[NH+]2CCC(O)(c3ccc4oc(C(=O)N5C[C@@H](C)O[C@@H](C)C5)cc4c3)CC2)cc1 ZINC000012451866 520969663 /nfs/dbraw/zinc/96/96/63/520969663.db2.gz DWAPSAWAJXQGNP-OYRHEFFESA-N 1 0 492.616 4.565 50 0 JJAARO CC1CCN(C(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000012279359 520979397 /nfs/dbraw/zinc/97/93/97/520979397.db2.gz LJRWWHHTGBCPJR-OAQYLSRUSA-N 1 0 464.606 4.952 50 0 JJAARO CCOc1ccc2nc(N3CCC([NH2+][C@@H](Cn4cccn4)c4ccccc4)CC3)nc(C)c2c1 ZINC000014991049 521302680 /nfs/dbraw/zinc/30/26/80/521302680.db2.gz RERGNXPJWAUYQV-SANMLTNESA-N 1 0 456.594 4.533 50 0 JJAARO CCCCn1c(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)nc2cc(S(N)(=O)=O)ccc21 ZINC000014670844 521362792 /nfs/dbraw/zinc/36/27/92/521362792.db2.gz YIIDDVLBOQKUGD-UHFFFAOYSA-N 1 0 472.630 4.958 50 0 JJAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012436736 521368293 /nfs/dbraw/zinc/36/82/93/521368293.db2.gz HGSPRICKSAOJTM-UHFFFAOYSA-N 1 0 463.578 4.637 50 0 JJAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+]([C@H](C)CCc1c[nH]c3ccccc13)CC2 ZINC000014742603 521524259 /nfs/dbraw/zinc/52/42/59/521524259.db2.gz FKUACUUGCNHQGV-OAQYLSRUSA-N 1 0 484.644 4.775 50 0 JJAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014745209 521524483 /nfs/dbraw/zinc/52/44/83/521524483.db2.gz BDEWOEYINIDKIE-UHFFFAOYSA-N 1 0 469.585 4.733 50 0 JJAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014755571 521525612 /nfs/dbraw/zinc/52/56/12/521525612.db2.gz UAFFUYZYJHIVTE-UHFFFAOYSA-N 1 0 472.589 4.593 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036309144 521535743 /nfs/dbraw/zinc/53/57/43/521535743.db2.gz LWOWHYDKQFPAKV-IGKIAQTJSA-N 1 0 492.685 4.877 50 0 JJAARO CCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)COCC ZINC000036303953 521679007 /nfs/dbraw/zinc/67/90/07/521679007.db2.gz QNWSTFRYOKRMNB-QFIPXVFZSA-N 1 0 453.583 4.591 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3cccs3)c(C)nn2-c2ccccc2)CC1 ZINC000034814893 521696543 /nfs/dbraw/zinc/69/65/43/521696543.db2.gz SOAPQVINOSBWGL-UHFFFAOYSA-N 1 0 465.667 4.683 50 0 JJAARO CN(C)c1ccc(C2=[NH+]O[C@@H](CN(Cc3cccc(Cl)c3)C[C@H](O)COc3ccccc3)C2)cc1 ZINC000036146723 522159170 /nfs/dbraw/zinc/15/91/70/522159170.db2.gz RABCUAMOFGKPAM-AHKZPQOWSA-N 1 0 494.035 4.841 50 0 JJAARO COc1cc(CN(Cc2ccncc2)C(=O)[C@H]2CCCC[N@@H+]2C)ccc1OC1Cc2ccccc2C1 ZINC000012248053 522362816 /nfs/dbraw/zinc/36/28/16/522362816.db2.gz WBRFOKOTDJENMR-HHHXNRCGSA-N 1 0 485.628 4.650 50 0 JJAARO C[N@H+](CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021808495 522822952 /nfs/dbraw/zinc/82/29/52/522822952.db2.gz JBBVXPOYANLXAO-SANMLTNESA-N 1 0 470.683 4.631 50 0 JJAARO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@H]4CCC[N@@H+]5CCCC[C@H]45)c3n2)cc1 ZINC000012370989 523107157 /nfs/dbraw/zinc/10/71/57/523107157.db2.gz UHJMVOIXJUEBBJ-DYESRHJHSA-N 1 0 470.520 4.764 50 0 JJAARO COc1ccc(-c2coc3c(ccc4c3CN(C[C@@H]3CCC[N@@H+]5CCCC[C@@H]35)CO4)c2=O)cc1OC ZINC000043746985 523156256 /nfs/dbraw/zinc/15/62/56/523156256.db2.gz LCHPQVANSHXVPE-RDPSFJRHSA-N 1 0 490.600 4.894 50 0 JJAARO COc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000022619308 523175944 /nfs/dbraw/zinc/17/59/44/523175944.db2.gz CHAMZLYRJOXHJB-OAQYLSRUSA-N 1 0 486.041 4.613 50 0 JJAARO C[N@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cc3ncccn3n2)cc1 ZINC000012279620 523448664 /nfs/dbraw/zinc/44/86/64/523448664.db2.gz HNKFHUHXOFICNZ-QFIPXVFZSA-N 1 0 489.645 4.887 50 0 JJAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)cc2)cn1 ZINC000012213619 523517238 /nfs/dbraw/zinc/51/72/38/523517238.db2.gz ABZROJCKSHVYHV-FMIVXFBMSA-N 1 0 479.024 4.789 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036305760 523736110 /nfs/dbraw/zinc/73/61/10/523736110.db2.gz IVHVOVONTCXTFE-QFIPXVFZSA-N 1 0 497.636 4.512 50 0 JJAARO COCCN1C(=O)N(Cc2ccccc2)C2(CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000014742391 523801379 /nfs/dbraw/zinc/80/13/79/523801379.db2.gz GOUFKAXCQLPTAX-UHFFFAOYSA-N 1 0 497.639 4.764 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)C2)s1 ZINC000033078450 523849447 /nfs/dbraw/zinc/84/94/47/523849447.db2.gz NOMIJWNFGSMMOM-QHCPKHFHSA-N 1 0 491.705 4.807 50 0 JJAARO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)C2)s1 ZINC000033078454 523849965 /nfs/dbraw/zinc/84/99/65/523849965.db2.gz FFFQIHQMVXOLIV-QHCPKHFHSA-N 1 0 491.705 4.807 50 0 JJAARO CCc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)c(C)o2)cc1 ZINC000004435404 523859713 /nfs/dbraw/zinc/85/97/13/523859713.db2.gz KXPJBGWZIZEBLM-UHFFFAOYSA-N 1 0 491.632 4.801 50 0 JJAARO CN(C(=O)c1cccs1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000012279833 523951131 /nfs/dbraw/zinc/95/11/31/523951131.db2.gz ICBUBCNMSQKIKB-SANMLTNESA-N 1 0 496.648 4.854 50 0 JJAARO CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2cccc(OCCO)c2)CC1 ZINC000014987736 523955585 /nfs/dbraw/zinc/95/55/85/523955585.db2.gz GMUKFTJMNIHTKQ-MHZLTWQESA-N 1 0 496.648 4.854 50 0 JJAARO COc1ccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)cc1 ZINC000012247664 523974095 /nfs/dbraw/zinc/97/40/95/523974095.db2.gz XALZZBVSBDDOQS-QFIPXVFZSA-N 1 0 457.618 4.987 50 0 JJAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 ZINC000008597496 524046325 /nfs/dbraw/zinc/04/63/25/524046325.db2.gz CABSECSNLLWIAD-UHFFFAOYSA-N 1 0 453.970 4.840 50 0 JJAARO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=S)Nc2ccc(Cl)cc2C)CC1 ZINC000016393234 524217159 /nfs/dbraw/zinc/21/71/59/524217159.db2.gz CTUGGRYFGXQGET-UHFFFAOYSA-N 1 0 467.466 4.809 50 0 JJAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000020384906 524264147 /nfs/dbraw/zinc/26/41/47/524264147.db2.gz ZWKOWSDZHLSEGL-OALUTQOASA-N 1 0 495.693 4.598 50 0 JJAARO COc1ccccc1/C=C/C[NH+]1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccn(C)n2)CC1 ZINC000014879092 524315416 /nfs/dbraw/zinc/31/54/16/524315416.db2.gz XGOAGTMEOSHUEH-RGPNDZKTSA-N 1 0 472.633 4.537 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305838 524694466 /nfs/dbraw/zinc/69/44/66/524694466.db2.gz SNZFXKRWAAJFDT-HSZRJFAPSA-N 1 0 479.621 4.886 50 0 JJAARO Cc1cccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036306509 524786384 /nfs/dbraw/zinc/78/63/84/524786384.db2.gz XWOOFBOABZCMQQ-AZGAKELHSA-N 1 0 493.648 4.955 50 0 JJAARO C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)ccc2N1C(=O)C1CCC1 ZINC000021871158 524981777 /nfs/dbraw/zinc/98/17/77/524981777.db2.gz QHGHXYCKFXMNRO-IBGZPJMESA-N 1 0 467.635 4.551 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@@H](O)COC(C)C)C(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306089 524988663 /nfs/dbraw/zinc/98/86/63/524988663.db2.gz OLQSORCLUWDPCG-JOCHJYFZSA-N 1 0 467.610 4.884 50 0 JJAARO COc1ccc(Oc2c(C[N@H+](C[C@H](O)COC(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304607 524990458 /nfs/dbraw/zinc/99/04/58/524990458.db2.gz XENPGDFKKDCFEM-DEOSSOPVSA-N 1 0 479.621 4.980 50 0 JJAARO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCC(Cc3ccccc3)CC2)c(=O)n1Cc1ccccn1 ZINC000022698032 525325225 /nfs/dbraw/zinc/32/52/25/525325225.db2.gz LRCIECWFTKWZAN-LJAQVGFWSA-N 1 0 480.612 4.745 50 0 JJAARO Cc1ccccc1Oc1nccnc1N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000033288249 525325803 /nfs/dbraw/zinc/32/58/03/525325803.db2.gz GZDRORSEKHLWHS-UHFFFAOYSA-N 1 0 485.632 4.575 50 0 JJAARO Cc1ccccc1[C@@H]([NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1)c1ccncc1 ZINC000012247422 525372676 /nfs/dbraw/zinc/37/26/76/525372676.db2.gz PSDQRVYVACBYQW-NDEPHWFRSA-N 1 0 478.600 4.780 50 0 JJAARO Cc1c(C[NH+]2CCC([C@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cnn1C ZINC000014986770 525705785 /nfs/dbraw/zinc/70/57/85/525705785.db2.gz KFYOOYCRSNXWMU-QHCPKHFHSA-N 1 0 455.002 4.570 50 0 JJAARO Cc1c(C[NH+]2CCC([C@@H](Cc3ccccc3Cl)N(C)C(=O)c3ccco3)CC2)cnn1C ZINC000014986771 525706755 /nfs/dbraw/zinc/70/67/55/525706755.db2.gz KFYOOYCRSNXWMU-HSZRJFAPSA-N 1 0 455.002 4.570 50 0 JJAARO Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033173451 525731993 /nfs/dbraw/zinc/73/19/93/525731993.db2.gz YLBMATORKHTQDO-UHFFFAOYSA-N 1 0 479.524 4.612 50 0 JJAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(Cc2cn(C)nc2C)C3)s1 ZINC000014994222 525741229 /nfs/dbraw/zinc/74/12/29/525741229.db2.gz CMBILEFVNDMYDC-NRFANRHFSA-N 1 0 480.678 4.881 50 0 JJAARO COc1cccc(-n2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000014987317 525749169 /nfs/dbraw/zinc/74/91/69/525749169.db2.gz NKDNMDFSXIIGPD-QFIPXVFZSA-N 1 0 470.664 4.988 50 0 JJAARO Cc1ccc(-c2noc(CC[N@@H+](Cc3ccccc3)C[C@@H](O)COCc3ccco3)n2)cc1Cl ZINC000036147720 525877430 /nfs/dbraw/zinc/87/74/30/525877430.db2.gz DDSLTBJUGPAIFX-JOCHJYFZSA-N 1 0 481.980 4.914 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4ccsc4)CC3)C2=O)c1 ZINC000014531665 525928910 /nfs/dbraw/zinc/92/89/10/525928910.db2.gz PWDALDIXPJBJNB-UHFFFAOYSA-N 1 0 455.624 4.602 50 0 JJAARO COc1cccc(C[NH+]2CCC([C@]3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)c1 ZINC000014888999 525934484 /nfs/dbraw/zinc/93/44/84/525934484.db2.gz JATDHFXNTMUPED-NDEPHWFRSA-N 1 0 479.596 4.522 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)NCC[C@@H]3CCC[N@H+]3C)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000014971279 525964383 /nfs/dbraw/zinc/96/43/83/525964383.db2.gz BUXPMKPVWJTEHG-FQEVSTJZSA-N 1 0 490.608 4.719 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2C2CC2)nc1-c1cccs1 ZINC000014992790 525964616 /nfs/dbraw/zinc/96/46/16/525964616.db2.gz XXGDYLHSJZWPQD-UHFFFAOYSA-N 1 0 498.656 4.971 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)NCC[C@H]3CCC[N@H+]3C)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000014971275 525965277 /nfs/dbraw/zinc/96/52/77/525965277.db2.gz BUXPMKPVWJTEHG-HXUWFJFHSA-N 1 0 490.608 4.719 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022698015 525981238 /nfs/dbraw/zinc/98/12/38/525981238.db2.gz ZSYWOYFWXBWNRI-GDLZYMKVSA-N 1 0 498.602 4.665 50 0 JJAARO C[C@H](Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3)C(=O)Nc1cccc(F)c1 ZINC000016796275 526004222 /nfs/dbraw/zinc/00/42/22/526004222.db2.gz MILWQLASCUUGAH-HNNXBMFYSA-N 1 0 488.654 4.547 50 0 JJAARO Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C4N=NC(=S)N4CCC[NH+](C)C)cc3N2)cc1C ZINC000022716234 526035776 /nfs/dbraw/zinc/03/57/76/526035776.db2.gz ZZHVYIVXHBKVEK-SJLPKXTDSA-N 1 0 479.576 4.659 50 0 JJAARO Cc1cc(-c2csc(S(=O)(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2)on1 ZINC000033290266 526049956 /nfs/dbraw/zinc/04/99/56/526049956.db2.gz IJHJLCVRKOFPCG-UHFFFAOYSA-N 1 0 466.028 4.555 50 0 JJAARO CSc1ccc2cc(C[NH2+]CCc3cccc(Cl)c3)c(N3CCN(C(C)=O)CC3)nc2c1 ZINC000014974214 526081651 /nfs/dbraw/zinc/08/16/51/526081651.db2.gz OAHKHHMYCKVHBC-UHFFFAOYSA-N 1 0 469.054 4.611 50 0 JJAARO Cc1ccc(C(=O)Nc2ccc(N3CCC([NH2+]Cc4cnn(-c5ccccc5)n4)CC3)cc2)c(C)c1 ZINC000014975041 526221119 /nfs/dbraw/zinc/22/11/19/526221119.db2.gz MQLCAJJFXXMCNV-UHFFFAOYSA-N 1 0 480.616 4.895 50 0 JJAARO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022573328 526283916 /nfs/dbraw/zinc/28/39/16/526283916.db2.gz NKGKYRZXXMKOJS-QRUZDJRHSA-N 1 0 466.588 4.811 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146613 526285096 /nfs/dbraw/zinc/28/50/96/526285096.db2.gz PVTOUNJWNJSZKA-LADGPHEKSA-N 1 0 472.944 4.645 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145959 526285598 /nfs/dbraw/zinc/28/55/98/526285598.db2.gz GPYJUVQIMRCONY-IZZNHLLZSA-N 1 0 464.993 4.913 50 0 JJAARO O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000008616593 526286823 /nfs/dbraw/zinc/28/68/23/526286823.db2.gz OKZSJXYQJTVLKR-KRWDZBQOSA-N 1 0 496.858 4.664 50 0 JJAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146531 526287930 /nfs/dbraw/zinc/28/79/30/526287930.db2.gz AGJKXWSYWWOTJH-LADGPHEKSA-N 1 0 454.954 4.506 50 0 JJAARO O=C(CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1)NCC[NH+]1CCCCCC1 ZINC000033115983 526366097 /nfs/dbraw/zinc/36/60/97/526366097.db2.gz OKGVSGSGHGFVNO-UHFFFAOYSA-N 1 0 488.632 4.729 50 0 JJAARO O=C(OCC(F)(F)F)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000020404825 526417484 /nfs/dbraw/zinc/41/74/84/526417484.db2.gz YJSWRSMFVGHWHY-UHFFFAOYSA-N 1 0 455.480 4.712 50 0 JJAARO O=C([C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1)N1CCCC1 ZINC000014746440 526506123 /nfs/dbraw/zinc/50/61/23/526506123.db2.gz BUBRDRYGLBHWLU-FCHUYYIVSA-N 1 0 460.540 4.887 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000065006592 526567997 /nfs/dbraw/zinc/56/79/97/526567997.db2.gz OYSFJWNSADZRMG-FQEVSTJZSA-N 1 0 482.694 4.517 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@@H](C)C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000065006596 526568653 /nfs/dbraw/zinc/56/86/53/526568653.db2.gz DXOQBAVLLUCLPD-OAQYLSRUSA-N 1 0 496.721 4.907 50 0 JJAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)O1)c1ccco1 ZINC000012244145 526588079 /nfs/dbraw/zinc/58/80/79/526588079.db2.gz RPBPKYOQCSUASV-RUZDIDTESA-N 1 0 460.574 4.802 50 0 JJAARO O=C(C[N@H+](C[C@@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309071 526697298 /nfs/dbraw/zinc/69/72/98/526697298.db2.gz DJZUXWJSBLCUER-IZZNHLLZSA-N 1 0 476.642 4.699 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000014880403 526700428 /nfs/dbraw/zinc/70/04/28/526700428.db2.gz UPWOVARTUDUYPJ-UHFFFAOYSA-N 1 0 482.584 4.585 50 0 JJAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]Cc3csc(Cc4ccccc4)n3)CC2)cc1 ZINC000012247038 526768234 /nfs/dbraw/zinc/76/82/34/526768234.db2.gz FFNWUNGRHJILSU-UHFFFAOYSA-N 1 0 497.668 4.818 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(C(F)(F)F)c2)N1CC1(c2ccccc2)CCOCC1 ZINC000012244935 526993652 /nfs/dbraw/zinc/99/36/52/526993652.db2.gz VBSTUKQSXGCMGU-HSZRJFAPSA-N 1 0 460.540 4.925 50 0 JJAARO O=C1N(CCCc2cccnc2)C(=O)C2(CC[NH+](Cc3ccsc3)CC2)N1Cc1ccccc1 ZINC000014741564 527037484 /nfs/dbraw/zinc/03/74/84/527037484.db2.gz FNFYIAPHHFIKAZ-UHFFFAOYSA-N 1 0 474.630 4.575 50 0 JJAARO Cc1nc([C@H](C)NC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)c(C)s1 ZINC000012429967 527062836 /nfs/dbraw/zinc/06/28/36/527062836.db2.gz DMFQYRQSXUSKBA-KRWDZBQOSA-N 1 0 450.608 4.689 50 0 JJAARO O=C1c2cccc(N3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)c2C(=O)N1Cc1ccccc1Cl ZINC000014984318 527125290 /nfs/dbraw/zinc/12/52/90/527125290.db2.gz UDFDZGRZLNYEFH-HSZRJFAPSA-N 1 0 486.015 4.816 50 0 JJAARO Cc1nc2cccnc2n1-c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000033249839 527181344 /nfs/dbraw/zinc/18/13/44/527181344.db2.gz JPBQQSMXRDVENV-UHFFFAOYSA-N 1 0 459.981 4.777 50 0 JJAARO O=C(Cc1ccc(N2CCC([NH2+]Cc3scnc3-c3ccccc3)CC2)cc1)NCc1ccccn1 ZINC000014988227 527235961 /nfs/dbraw/zinc/23/59/61/527235961.db2.gz KMFZNYLXJMVRGD-UHFFFAOYSA-N 1 0 497.668 4.823 50 0 JJAARO O=C(Nc1cccc(N2CCC([N@@H+]3CCOc4ccc(Cl)cc4C3)CC2)c1)c1ccncc1 ZINC000014887540 527357114 /nfs/dbraw/zinc/35/71/14/527357114.db2.gz CYBZDXBRSKKSNO-UHFFFAOYSA-N 1 0 462.981 4.851 50 0 JJAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1CCCN(c2nc3cc(Cl)ccc3[nH]2)C1 ZINC000033269082 527610668 /nfs/dbraw/zinc/61/06/68/527610668.db2.gz ROTRGESUNJSSSW-FQEVSTJZSA-N 1 0 484.019 4.600 50 0 JJAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCCCC1)C1CC1 ZINC000036249830 527658829 /nfs/dbraw/zinc/65/88/29/527658829.db2.gz PZUGPPBJVZHGGH-RUZDIDTESA-N 1 0 461.606 4.874 50 0 JJAARO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000002095600 554040258 /nfs/dbraw/zinc/04/02/58/554040258.db2.gz ULDVIANUJMKCJH-SQGPQFPESA-N 1 0 482.411 4.743 50 0 biogenic JJAARO O=C(c1cccc(COCC(F)(F)C(F)F)c1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000002760284 554331089 /nfs/dbraw/zinc/33/10/89/554331089.db2.gz MXAGGIQQRSIXMJ-UHFFFAOYSA-N 1 0 468.535 4.686 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002890462 554409158 /nfs/dbraw/zinc/40/91/58/554409158.db2.gz ODJWCHBRRCMKEH-NRFANRHFSA-N 1 0 469.379 4.833 50 0 JJAARO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000006287890 554527398 /nfs/dbraw/zinc/52/73/98/554527398.db2.gz YHXHNXXREGRZMK-UHFFFAOYSA-N 1 0 465.981 4.932 50 0 JJAARO COc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Br ZINC000006297083 554528823 /nfs/dbraw/zinc/52/88/23/554528823.db2.gz KFZCQXTVVIURMQ-UHFFFAOYSA-N 1 0 462.413 4.570 50 0 JJAARO CCOc1cc(C[NH2+]C2CCCC2)cc(Br)c1OCC(=O)Nc1ccccc1OC ZINC000008437938 554588768 /nfs/dbraw/zinc/58/87/68/554588768.db2.gz RHVNWCJZZZGLLI-UHFFFAOYSA-N 1 0 477.399 4.906 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000008750014 554652297 /nfs/dbraw/zinc/65/22/97/554652297.db2.gz XAUUWXYNGGXBRA-UHFFFAOYSA-N 1 0 462.903 4.939 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)n1 ZINC000008779970 554677380 /nfs/dbraw/zinc/67/73/80/554677380.db2.gz YBEVJXKTFPXSJC-WOEFOLRQSA-N 1 0 482.660 4.679 50 0 JJAARO CCCC[N@H+](CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)Cc1ccccc1 ZINC000008801955 554687257 /nfs/dbraw/zinc/68/72/57/554687257.db2.gz SRPVWRHEABPUGE-UHFFFAOYSA-N 1 0 466.651 4.555 50 0 JJAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](CCOc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)C1 ZINC000008878071 554773820 /nfs/dbraw/zinc/77/38/20/554773820.db2.gz AWYIGLQVLDWNAP-QUCCMNQESA-N 1 0 488.971 4.773 50 0 biogenic JJAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)ccc1OC(=O)c1ccco1 ZINC000008922844 554819793 /nfs/dbraw/zinc/81/97/93/554819793.db2.gz BINPNHHHWSYYLX-OAQYLSRUSA-N 1 0 467.547 4.764 50 0 JJAARO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000008965294 554839426 /nfs/dbraw/zinc/83/94/26/554839426.db2.gz LYINVIBUBBIBIG-HHHXNRCGSA-N 1 0 497.643 4.536 50 0 JJAARO C[C@@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009050148 554871686 /nfs/dbraw/zinc/87/16/86/554871686.db2.gz VOLSNRPWHYFOJQ-HXUWFJFHSA-N 1 0 485.584 4.610 50 0 JJAARO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cc2)SCCO1 ZINC000009115287 554902120 /nfs/dbraw/zinc/90/21/20/554902120.db2.gz PULZCBAQUPDXKQ-UHFFFAOYSA-N 1 0 493.673 4.695 50 0 JJAARO CC[N@H+](CCCNC(=O)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000009115663 554902604 /nfs/dbraw/zinc/90/26/04/554902604.db2.gz AXZIOPLMSWBUII-HKBQPEDESA-N 1 0 459.011 4.883 50 0 JJAARO Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009132359 554931568 /nfs/dbraw/zinc/93/15/68/554931568.db2.gz CUTXVWNJLZGDBB-JOCHJYFZSA-N 1 0 474.630 4.514 50 0 JJAARO CC[N@@H+]1CCc2c(CNC(=O)Nc3cc(Cl)ccc3C(=O)OC)c(-n3cccc3)sc2C1 ZINC000009151123 554937068 /nfs/dbraw/zinc/93/70/68/554937068.db2.gz QSDALLWCFVMYOO-UHFFFAOYSA-N 1 0 472.998 4.679 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1ccc(Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000009151305 554938203 /nfs/dbraw/zinc/93/82/03/554938203.db2.gz ZYGNWOPCYIHCQW-UHFFFAOYSA-N 1 0 491.636 4.983 50 0 JJAARO C[NH+](C)CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2c(F)cccc2Cl)cc1 ZINC000009151361 554938367 /nfs/dbraw/zinc/93/83/67/554938367.db2.gz YQMMZEIFDAJELZ-UHFFFAOYSA-N 1 0 498.027 4.856 50 0 JJAARO CC[N@H+](CCCNC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O)Cc1ccccc1 ZINC000009151500 554938954 /nfs/dbraw/zinc/93/89/54/554938954.db2.gz UEDNBBJETMAUMQ-UHFFFAOYSA-N 1 0 478.980 4.516 50 0 JJAARO C[NH+](C)CCCN(C(=O)c1ccc(Br)s1)c1nc2c(cc(F)cc2F)s1 ZINC000009151943 554939260 /nfs/dbraw/zinc/93/92/60/554939260.db2.gz XWWDBPKBHDFEDJ-UHFFFAOYSA-N 1 0 460.369 4.997 50 0 JJAARO Brc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CC[NH2+]CC2)s1 ZINC000009209691 554978831 /nfs/dbraw/zinc/97/88/31/554978831.db2.gz JTLDGTMWTTYYFO-CQSZACIVSA-N 1 0 483.229 4.896 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227835 555001008 /nfs/dbraw/zinc/00/10/08/555001008.db2.gz CKPRCYHFDFEVOD-HSZRJFAPSA-N 1 0 495.668 4.509 50 0 JJAARO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 ZINC000009345236 555110963 /nfs/dbraw/zinc/11/09/63/555110963.db2.gz LPVGFJHDJXLRJL-JWQCQUIFSA-N 1 0 450.498 4.586 50 0 JJAARO CC[NH+](CC)CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000009358973 555123095 /nfs/dbraw/zinc/12/30/95/555123095.db2.gz XDXHKFHNXZOTLT-QFIPXVFZSA-N 1 0 458.400 4.867 50 0 JJAARO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009377055 555138307 /nfs/dbraw/zinc/13/83/07/555138307.db2.gz WAADQPQMVJXNCU-XMMPIXPASA-N 1 0 476.042 4.584 50 0 JJAARO Cc1c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000009405742 555165046 /nfs/dbraw/zinc/16/50/46/555165046.db2.gz WQEPKQCTJMLFBQ-UHFFFAOYSA-N 1 0 450.608 4.587 50 0 JJAARO CC[C@@H](C)[N@H+](CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)Cc1ccco1 ZINC000009405707 555165129 /nfs/dbraw/zinc/16/51/29/555165129.db2.gz ZEBWYIPWEMOMJO-QGZVFWFLSA-N 1 0 470.639 4.506 50 0 JJAARO COc1ccc(C[N@@H+]2CCCN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)CC2)cc1 ZINC000009415093 555182426 /nfs/dbraw/zinc/18/24/26/555182426.db2.gz NKXOTKALBWASPI-UHFFFAOYSA-N 1 0 471.630 4.963 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433058 555202767 /nfs/dbraw/zinc/20/27/67/555202767.db2.gz MQPFAXFHUBINJK-BJKOFHAPSA-N 1 0 455.668 4.923 50 0 JJAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009435769 555207404 /nfs/dbraw/zinc/20/74/04/555207404.db2.gz LIUNURVBBJIKTO-SFHVURJKSA-N 1 0 463.578 4.635 50 0 JJAARO C[C@H](NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009515115 555306160 /nfs/dbraw/zinc/30/61/60/555306160.db2.gz NHYBCEPMYJONRA-FQEVSTJZSA-N 1 0 457.574 4.587 50 0 JJAARO CCOc1cc(C[NH2+]CCCN2CCOCC2)cc(Br)c1OCc1ccccc1Cl ZINC000013153143 555359405 /nfs/dbraw/zinc/35/94/05/555359405.db2.gz NWPWWINMTQWHBL-UHFFFAOYSA-N 1 0 497.861 4.892 50 0 JJAARO C[NH+](C)[C@@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000009562774 555364225 /nfs/dbraw/zinc/36/42/25/555364225.db2.gz WXSMUTURGSUPMK-FTJBHMTQSA-N 1 0 489.019 4.582 50 0 JJAARO 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 555424799 /nfs/dbraw/zinc/42/47/99/555424799.db2.gz OKTCAOHXJYGKFK-ONVZUXLVSA-N 1 0 480.697 4.506 50 0 JJAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2nc(-c3ccccc3)no2)c1 ZINC000019838230 555507591 /nfs/dbraw/zinc/50/75/91/555507591.db2.gz CWNSHSGRVBUZSD-UHFFFAOYSA-N 1 0 451.530 4.930 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000019838056 555507649 /nfs/dbraw/zinc/50/76/49/555507649.db2.gz WJCGFSDGOHFXAT-INIZCTEOSA-N 1 0 488.510 4.706 50 0 JJAARO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cc(OC)c(O)c(OC)c4)CC3)ccc21 ZINC000019889979 555529172 /nfs/dbraw/zinc/52/91/72/555529172.db2.gz JKKFBAUOTAGHQL-UHFFFAOYSA-N 1 0 459.590 4.855 50 0 JJAARO Cc1nc2nc(SCC(=O)NCCC[NH+](CC(C)C)CC(C)C)nn2c(C)c1Cc1ccccc1 ZINC000009841336 555544371 /nfs/dbraw/zinc/54/43/71/555544371.db2.gz PEMLUGWVOPFHOJ-UHFFFAOYSA-N 1 0 496.725 4.544 50 0 JJAARO Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)c12 ZINC000013641896 555547822 /nfs/dbraw/zinc/54/78/22/555547822.db2.gz KNCICZDGEAKOQH-UHFFFAOYSA-N 1 0 474.580 4.920 50 0 JJAARO CCCC[N@H+](CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1 ZINC000009847817 555549726 /nfs/dbraw/zinc/54/97/26/555549726.db2.gz YOXYHEXIZZPKAW-UHFFFAOYSA-N 1 0 494.705 4.901 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)sc2c1 ZINC000009848149 555550241 /nfs/dbraw/zinc/55/02/41/555550241.db2.gz SRRCTFTUYDBELA-IBGZPJMESA-N 1 0 458.672 4.682 50 0 JJAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000009848332 555550522 /nfs/dbraw/zinc/55/05/22/555550522.db2.gz DFVHFVUFBFFLRG-JOCHJYFZSA-N 1 0 462.663 4.910 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000009849575 555551713 /nfs/dbraw/zinc/55/17/13/555551713.db2.gz BCTKBKADHCLDFI-UHFFFAOYSA-N 1 0 487.619 4.966 50 0 JJAARO Cc1ccccc1Cc1c(C)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000019991314 555576612 /nfs/dbraw/zinc/57/66/12/555576612.db2.gz CDQDAKFZYITOOL-UHFFFAOYSA-N 1 0 464.613 4.889 50 0 JJAARO CCOc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729642 555602470 /nfs/dbraw/zinc/60/24/70/555602470.db2.gz PILSHGIYSUFYAF-UHFFFAOYSA-N 1 0 454.534 4.667 50 0 JJAARO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020115203 555653021 /nfs/dbraw/zinc/65/30/21/555653021.db2.gz XCQALVXTGMWSAC-DEOSSOPVSA-N 1 0 496.652 4.587 50 0 JJAARO COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)cc2)c1 ZINC000010281834 555672577 /nfs/dbraw/zinc/67/25/77/555672577.db2.gz CZGXEDSMLFHUEY-UHFFFAOYSA-N 1 0 487.600 4.629 50 0 JJAARO Cc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([N@H+](C)Cc2nc(-c3ccccc3)no2)C4)cc1 ZINC000020168003 555678398 /nfs/dbraw/zinc/67/83/98/555678398.db2.gz XILYDYODFDPVJW-NRFANRHFSA-N 1 0 497.624 4.854 50 0 JJAARO CC1CC[NH+]([C@@H](CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c2cccs2)CC1 ZINC000014071829 555679272 /nfs/dbraw/zinc/67/92/72/555679272.db2.gz NXULPIUWGDSERP-FQEVSTJZSA-N 1 0 480.600 4.968 50 0 JJAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccccc3F)Sc3ccccc32)C1 ZINC000020181219 555687969 /nfs/dbraw/zinc/68/79/69/555687969.db2.gz HBISQAVZEBSZAE-UZXDDYOISA-N 1 0 467.610 4.544 50 0 JJAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020181504 555688663 /nfs/dbraw/zinc/68/86/63/555688663.db2.gz MKYFVEHNUALTMY-VZMFNRANSA-N 1 0 489.563 4.786 50 0 JJAARO CC(C)[C@H]([NH2+]CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000014142368 555707861 /nfs/dbraw/zinc/70/78/61/555707861.db2.gz MGKSZIRKOMDPND-VWLOTQADSA-N 1 0 465.619 4.760 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000020241111 555736534 /nfs/dbraw/zinc/73/65/34/555736534.db2.gz WVTXSMZTLWVHPL-FQEVSTJZSA-N 1 0 475.655 4.671 50 0 JJAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000014230504 555737044 /nfs/dbraw/zinc/73/70/44/555737044.db2.gz KYVKQGUQUUCNEZ-UHFFFAOYSA-N 1 0 491.657 4.562 50 0 JJAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000020279911 555750878 /nfs/dbraw/zinc/75/08/78/555750878.db2.gz SQQRLJFKCKODBQ-UHFFFAOYSA-N 1 0 497.087 4.731 50 0 JJAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCN(c3ccccc3OC)CC1)c(C)n2Cc1ccccc1 ZINC000020328779 555774445 /nfs/dbraw/zinc/77/44/45/555774445.db2.gz NHTFXEHXFZTWHK-NDEPHWFRSA-N 1 0 485.628 4.871 50 0 JJAARO CC(C)C[C@H](C(=O)NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)N1Cc2ccccc2C1=O ZINC000020531412 555799011 /nfs/dbraw/zinc/79/90/11/555799011.db2.gz AIHRZVKQVYKQNF-RUZDIDTESA-N 1 0 468.041 4.739 50 0 JJAARO C[C@H]([NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1)c1ccccc1 ZINC000011785880 555818656 /nfs/dbraw/zinc/81/86/56/555818656.db2.gz PSSZGCVKWDDZLH-FQEVSTJZSA-N 1 0 457.574 4.665 50 0 JJAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000014531805 555819322 /nfs/dbraw/zinc/81/93/22/555819322.db2.gz NUDYEAJGXFKKQD-FQEVSTJZSA-N 1 0 463.651 4.690 50 0 JJAARO CC[N@H+](CCCNC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1)Cc1ccccc1 ZINC000020565096 555819564 /nfs/dbraw/zinc/81/95/64/555819564.db2.gz OIBJLWVKAGSBRX-UHFFFAOYSA-N 1 0 489.645 4.868 50 0 JJAARO COc1cccc2c1OCCC[N@@H+]([C@H]1CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC1)C2 ZINC000011786392 555819663 /nfs/dbraw/zinc/81/96/63/555819663.db2.gz AZQRILXNSULZIQ-NRFANRHFSA-N 1 0 462.512 4.880 50 0 JJAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+]([C@H](C)CCc1ccccc1)CC2 ZINC000014532215 555819989 /nfs/dbraw/zinc/81/99/89/555819989.db2.gz WOQPVMFVVNPIRN-XMMPIXPASA-N 1 0 476.665 4.790 50 0 JJAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NCc2cccc3ccccc32)C1 ZINC000014535754 555824699 /nfs/dbraw/zinc/82/46/99/555824699.db2.gz ISFCJFNUDYPCSH-XZOQPEGZSA-N 1 0 461.581 4.828 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@@H](C)CC(C)C)CC2 ZINC000014537433 555827122 /nfs/dbraw/zinc/82/71/22/555827122.db2.gz KKYHGJZGCFZAHX-QFIPXVFZSA-N 1 0 465.638 4.910 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](CC3CCCCC3)CC2)N1CCc1ccccc1 ZINC000014537704 555827381 /nfs/dbraw/zinc/82/73/81/555827381.db2.gz LGUWARDWQQFHED-UHFFFAOYSA-N 1 0 460.622 4.503 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4ccc(OC)c(C)c4)CC3)C2=O)c1 ZINC000014538482 555828003 /nfs/dbraw/zinc/82/80/03/555828003.db2.gz RRQVETHNYNQVMN-UHFFFAOYSA-N 1 0 493.648 4.857 50 0 JJAARO O=C1N(Cc2cccnc2)C(=O)C2(CC[NH+](Cc3cc4ccccc4[nH]3)CC2)N1CCc1ccccc1 ZINC000014539570 555829335 /nfs/dbraw/zinc/82/93/35/555829335.db2.gz RQAAFXZTJJJBEN-UHFFFAOYSA-N 1 0 493.611 4.605 50 0 JJAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2CCC(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC(C)(C)C1 ZINC000011847318 555834791 /nfs/dbraw/zinc/83/47/91/555834791.db2.gz QNYKNOXEGLLUAM-QDSKXPNFSA-N 1 0 492.660 4.740 50 0 JJAARO Cc1csc(C[N@@H+](C)[C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)n1 ZINC000015000995 555845824 /nfs/dbraw/zinc/84/58/24/555845824.db2.gz GHJPJWRZVONYTF-GOSISDBHSA-N 1 0 468.623 4.594 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)C4)cs1 ZINC000015002352 555847544 /nfs/dbraw/zinc/84/75/44/555847544.db2.gz XSOBRMXMUVHVQM-SJCJKPOMSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1ccc([C@@H](C)CC[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000015006638 555851217 /nfs/dbraw/zinc/85/12/17/555851217.db2.gz FCKUEOGLBRZELJ-LVXARBLLSA-N 1 0 462.638 4.911 50 0 JJAARO COc1cc(/C=C/C[N@@H+]2CCC[C@H](c3nc(SC[C@@H]4CCCO4)ncc3C)C2)ccc1O ZINC000015008641 555852512 /nfs/dbraw/zinc/85/25/12/555852512.db2.gz LLNZFEFBTAHAOJ-TWTZQDPRSA-N 1 0 455.624 4.663 50 0 JJAARO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccc(C(F)(F)F)c3)C2)c(F)c1 ZINC000015008200 555852599 /nfs/dbraw/zinc/85/25/99/555852599.db2.gz OQYBVCKTOFTJOK-GCJKJVERSA-N 1 0 450.476 4.866 50 0 JJAARO COC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000011909125 555856363 /nfs/dbraw/zinc/85/63/63/555856363.db2.gz DAQSHRMTSUMRCV-XUZZJYLKSA-N 1 0 487.040 4.559 50 0 JJAARO c1ccc(Cn2c(SC[C@@H]3CCCO3)nnc2C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000011910360 555857693 /nfs/dbraw/zinc/85/76/93/555857693.db2.gz GTLJUZLOPCPVOM-QHCPKHFHSA-N 1 0 492.645 4.706 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2cccc(F)c2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000011910569 555858088 /nfs/dbraw/zinc/85/80/88/555858088.db2.gz IWGUKMHXTCWQAQ-RPWUZVMVSA-N 1 0 450.579 4.921 50 0 JJAARO Cc1cc(C)cc(C(=O)N[C@@H](CC(C)C)c2nnc3n2CC[N@@H+](Cc2ccsc2)CC3)c1 ZINC000011910902 555858717 /nfs/dbraw/zinc/85/87/17/555858717.db2.gz PEPWKEQWILDPTJ-QFIPXVFZSA-N 1 0 451.640 4.532 50 0 JJAARO O[C@@H](CO[C@H]1CCCc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022039053 555865625 /nfs/dbraw/zinc/86/56/25/555865625.db2.gz DIFYWVGMEXSQHY-PXJZQJOASA-N 1 0 456.630 4.849 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2cccc(F)c2F)C4)cs1 ZINC000015068509 555868211 /nfs/dbraw/zinc/86/82/11/555868211.db2.gz BKOOYECFSSWCEX-SWLSCSKDSA-N 1 0 472.586 4.758 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2cccc(F)c2F)C4)cs1 ZINC000015068505 555868481 /nfs/dbraw/zinc/86/84/81/555868481.db2.gz BKOOYECFSSWCEX-WFASDCNBSA-N 1 0 472.586 4.758 50 0 JJAARO O=C(Cc1cccc(Cl)c1)Nc1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1 ZINC000015070791 555870108 /nfs/dbraw/zinc/87/01/08/555870108.db2.gz TYSATXDVDXDXCN-UHFFFAOYSA-N 1 0 464.997 4.554 50 0 JJAARO C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000015071539 555871039 /nfs/dbraw/zinc/87/10/39/555871039.db2.gz QGADNIRAWRSIOO-LJAQVGFWSA-N 1 0 479.628 4.863 50 0 JJAARO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c(NC(=O)C2CCCC2)cc1OC ZINC000015080992 555872588 /nfs/dbraw/zinc/87/25/88/555872588.db2.gz RQOFIKDBWUAXBS-JOCHJYFZSA-N 1 0 468.594 4.621 50 0 JJAARO O=C(c1ccco1)N1CCN(CCOc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000011996971 555878762 /nfs/dbraw/zinc/87/87/62/555878762.db2.gz HCHGWOVPGYUBSG-UHFFFAOYSA-N 1 0 487.644 4.571 50 0 JJAARO CO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1cccc3nccnc13)CC2 ZINC000012034567 555888283 /nfs/dbraw/zinc/88/82/83/555888283.db2.gz ACRSXOYFCWVGQX-IHLOFXLRSA-N 1 0 492.623 4.592 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041581 555894113 /nfs/dbraw/zinc/89/41/13/555894113.db2.gz HBOIQOVVUZHOSH-AREMUKBSSA-N 1 0 469.589 4.724 50 0 JJAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1)c1ccc(C(F)(F)F)cc1 ZINC000012053316 555896979 /nfs/dbraw/zinc/89/69/79/555896979.db2.gz WOIRYUPGLJLPNQ-HXUWFJFHSA-N 1 0 450.476 4.788 50 0 JJAARO COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)OC[C@@H]4CCC[N@@H+]5CCCC[C@@H]45)c3n2)cc1 ZINC000015318871 555896990 /nfs/dbraw/zinc/89/69/90/555896990.db2.gz UHJMVOIXJUEBBJ-UWJYYQICSA-N 1 0 470.520 4.764 50 0 JJAARO COc1ccc(F)c(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1 ZINC000012074362 555902189 /nfs/dbraw/zinc/90/21/89/555902189.db2.gz HOPDUETVDUAJNS-UHFFFAOYSA-N 1 0 450.558 4.829 50 0 JJAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccc(CC(=O)NCCc3cccc(F)c3)cc2)CC1 ZINC000012097281 555904770 /nfs/dbraw/zinc/90/47/70/555904770.db2.gz IVGCLBWLLANCQT-QFIPXVFZSA-N 1 0 483.672 4.615 50 0 JJAARO CN(C(=O)c1ccco1)[C@H](Cc1ccc(F)cc1F)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000012131085 555911864 /nfs/dbraw/zinc/91/18/64/555911864.db2.gz UIFCZIOZDCQNCB-HSZRJFAPSA-N 1 0 482.527 4.882 50 0 JJAARO CC(C)[C@@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000012133578 555912351 /nfs/dbraw/zinc/91/23/51/555912351.db2.gz BPADUQXFWFOEIS-HHHXNRCGSA-N 1 0 498.631 4.824 50 0 JJAARO c1cc(C[NH+]2CCC(c3nnc(SCCc4ccccc4)n3C[C@H]3CCCO3)CC2)co1 ZINC000012148846 555920768 /nfs/dbraw/zinc/92/07/68/555920768.db2.gz DYQKFAXVVBKDSY-HSZRJFAPSA-N 1 0 452.624 4.765 50 0 JJAARO C/C=C(\C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)CC1 ZINC000012149223 555921114 /nfs/dbraw/zinc/92/11/14/555921114.db2.gz TXRCTIRBSXXBAE-IJUHEHPCSA-N 1 0 457.496 4.590 50 0 JJAARO COc1ccccc1C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)c1cccs1)[C@@H]2OC ZINC000012155928 555928384 /nfs/dbraw/zinc/92/83/84/555928384.db2.gz IYSIDJNXWDBVPS-RPBOFIJWSA-N 1 0 462.615 4.790 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1ccsc1)Sc1ccccc1-2 ZINC000012162772 555931332 /nfs/dbraw/zinc/93/13/32/555931332.db2.gz CBMZHJDZUYEJHJ-CYFREDJKSA-N 1 0 479.671 4.811 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3noc4c3CSc3ccccc3-4)C[C@@H]2C)c1 ZINC000015674053 555932889 /nfs/dbraw/zinc/93/28/89/555932889.db2.gz BGLZYGCKTBUZDJ-IBGZPJMESA-N 1 0 462.619 4.586 50 0 JJAARO C[N@H+](CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1)C1CCCCC1 ZINC000015675681 555934145 /nfs/dbraw/zinc/93/41/45/555934145.db2.gz FYIFQUDRPCFCIL-NDEPHWFRSA-N 1 0 482.669 4.942 50 0 JJAARO COc1ccc(C[NH+]2CCC(c3nnc(SC[C@H]4CCCO4)n3-c3cccc(OC)c3)CC2)cc1 ZINC000012190831 555938243 /nfs/dbraw/zinc/93/82/43/555938243.db2.gz UTAYTLAKQOISHS-RUZDIDTESA-N 1 0 494.661 4.935 50 0 JJAARO Cc1ccc(-c2nc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)c3n2CCCCC3)cc1 ZINC000015677722 555941537 /nfs/dbraw/zinc/94/15/37/555941537.db2.gz GRVCMIOYPUOCPU-UHFFFAOYSA-N 1 0 471.649 4.527 50 0 JJAARO COc1cc(C[NH2+]C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)cc(OC)c1 ZINC000012247822 555946923 /nfs/dbraw/zinc/94/69/23/555946923.db2.gz NLITVGPEEIZQAI-OAQYLSRUSA-N 1 0 473.617 4.953 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCC3CC[NH+](CCc4ccc(F)cc4)CC3)c21 ZINC000015727471 555966663 /nfs/dbraw/zinc/96/66/63/555966663.db2.gz LUCGVXBPKCWBCO-UHFFFAOYSA-N 1 0 454.546 4.522 50 0 JJAARO COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000012378183 555967043 /nfs/dbraw/zinc/96/70/43/555967043.db2.gz QKOYUTRHELCKRA-UHFFFAOYSA-N 1 0 457.415 4.770 50 0 JJAARO CN1CC[NH+]([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c2cccs2)CC1 ZINC000022917287 555970989 /nfs/dbraw/zinc/97/09/89/555970989.db2.gz UQBPAFAPWZUKAA-LJQANCHMSA-N 1 0 476.675 4.704 50 0 JJAARO Cc1ccc(-n2nnn(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2=S)c(C)c1 ZINC000022917995 555971918 /nfs/dbraw/zinc/97/19/18/555971918.db2.gz JQUWTLWNGXIUEB-UHFFFAOYSA-N 1 0 470.646 4.780 50 0 JJAARO CCC[NH+]1CCN(Cn2nc(-c3ccccc3OC)n(-c3ccc(Cl)cc3)c2=S)CC1 ZINC000022918464 555972366 /nfs/dbraw/zinc/97/23/66/555972366.db2.gz YHWGSIJCGKTCNO-UHFFFAOYSA-N 1 0 458.031 4.717 50 0 JJAARO O[C@@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Oc1cccc(C(F)(F)F)c1 ZINC000022925037 555977282 /nfs/dbraw/zinc/97/72/82/555977282.db2.gz GNESXQMYZWVQKE-XMMPIXPASA-N 1 0 456.508 4.810 50 0 JJAARO O=C(c1ccc(F)cc1)N1CCCC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022925049 555977445 /nfs/dbraw/zinc/97/74/45/555977445.db2.gz WGEJWSOSHNTBRB-HHHXNRCGSA-N 1 0 485.603 4.754 50 0 JJAARO CC[NH+]1CCN(CCNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)CC1 ZINC000022936584 555989437 /nfs/dbraw/zinc/98/94/37/555989437.db2.gz KMHLRGJFACORGM-UHFFFAOYSA-N 1 0 478.662 4.618 50 0 JJAARO COc1ccc(CN2CC[NH+](CCCOc3cc(C)ccc3C(C)C)CC2)c(OC)c1OC ZINC000022942793 555993152 /nfs/dbraw/zinc/99/31/52/555993152.db2.gz UMUJOMVSRDSRDI-UHFFFAOYSA-N 1 0 456.627 4.731 50 0 JJAARO Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nnc1-c1cccnc1 ZINC000012534855 556007326 /nfs/dbraw/zinc/00/73/26/556007326.db2.gz KVQDQJPWLSYLTB-UHFFFAOYSA-N 1 0 484.629 4.964 50 0 JJAARO O=C(C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000015856079 556024220 /nfs/dbraw/zinc/02/42/20/556024220.db2.gz XHZFXENDNYKYAC-UHFFFAOYSA-N 1 0 483.656 4.822 50 0 JJAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2ccccc2Cl)CC1 ZINC000023159262 556026630 /nfs/dbraw/zinc/02/66/30/556026630.db2.gz PQIMYGPYSUGXOG-UHFFFAOYSA-N 1 0 481.999 4.589 50 0 JJAARO C[N@H+](Cc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCCC1 ZINC000012548753 556027659 /nfs/dbraw/zinc/02/76/59/556027659.db2.gz XKCYQWJDIIRZNP-UHFFFAOYSA-N 1 0 498.693 4.676 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OCc2cscn2)c(OC)c1)c1cccc(OC)c1 ZINC000023182570 556029119 /nfs/dbraw/zinc/02/91/19/556029119.db2.gz WHIQFANVBROPCX-JOCHJYFZSA-N 1 0 469.607 4.552 50 0 JJAARO O=C(Nc1cccc(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)c1)c1ccccc1Cl ZINC000023257803 556036752 /nfs/dbraw/zinc/03/67/52/556036752.db2.gz UOJFUQMKAYQJQV-JOCHJYFZSA-N 1 0 456.011 4.817 50 0 JJAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023333127 556043423 /nfs/dbraw/zinc/04/34/23/556043423.db2.gz ZDLUJJMVZWHAIW-XMMPIXPASA-N 1 0 457.622 4.948 50 0 JJAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012561460 556054690 /nfs/dbraw/zinc/05/46/90/556054690.db2.gz YWMUATORDANKFM-HSZRJFAPSA-N 1 0 487.427 4.988 50 0 JJAARO COc1ccc(-n2c(CCC(=O)N3CC[NH+](CC(C)C)CC3)cc3c2-c2ccccc2CC3)cc1 ZINC000023444095 556061743 /nfs/dbraw/zinc/06/17/43/556061743.db2.gz WFYOYDVVOPJSMP-UHFFFAOYSA-N 1 0 471.645 4.984 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCC[NH+]4[C@@H](C)CCC[C@@H]4C)C3)sc2c1 ZINC000015943779 556079828 /nfs/dbraw/zinc/07/98/28/556079828.db2.gz BCLKQHHNVNWSIB-UFYCRDLUSA-N 1 0 458.672 4.681 50 0 JJAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccs4)c(OC)c2)N3)C1 ZINC000015947162 556084694 /nfs/dbraw/zinc/08/46/94/556084694.db2.gz UBQIRKHVANBIFP-FQEVSTJZSA-N 1 0 469.588 4.844 50 0 JJAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)CC1 ZINC000012758604 556108565 /nfs/dbraw/zinc/10/85/65/556108565.db2.gz CSDGRPQGFGEHTN-KRWDZBQOSA-N 1 0 484.691 4.510 50 0 JJAARO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c1 ZINC000012932684 556148780 /nfs/dbraw/zinc/14/87/80/556148780.db2.gz PEFBEEUTZQVFCX-XMSQKQJNSA-N 1 0 465.619 4.857 50 0 JJAARO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000024910055 556162849 /nfs/dbraw/zinc/16/28/49/556162849.db2.gz OBJNEZXLEXHLGZ-UHFFFAOYSA-N 1 0 460.626 4.842 50 0 JJAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012993055 556185162 /nfs/dbraw/zinc/18/51/62/556185162.db2.gz DWTDESRUKJMXCR-IBGZPJMESA-N 1 0 471.557 4.760 50 0 JJAARO Cc1cc(C(=O)NCC[C@H]2CCC[N@H+]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149106 556188789 /nfs/dbraw/zinc/18/87/89/556188789.db2.gz JZRCYJJNOYTVAW-OAQYLSRUSA-N 1 0 457.553 4.749 50 0 JJAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000017041110 556207602 /nfs/dbraw/zinc/20/76/02/556207602.db2.gz SYUBXJXJHWHKJD-GDLZYMKVSA-N 1 0 480.612 4.526 50 0 JJAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017041140 556207648 /nfs/dbraw/zinc/20/76/48/556207648.db2.gz UGBRRGHZQGITGH-LJAQVGFWSA-N 1 0 480.612 4.526 50 0 JJAARO CC1(C)CC(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC(C)(C)[NH2+]1 ZINC000013027354 556220435 /nfs/dbraw/zinc/22/04/35/556220435.db2.gz VGEOOAWYRYOMKB-UHFFFAOYSA-N 1 0 477.527 4.762 50 0 JJAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3OC)ccc21 ZINC000026121576 556249441 /nfs/dbraw/zinc/24/94/41/556249441.db2.gz DVPXLTOBUJCURN-UHFFFAOYSA-N 1 0 450.583 4.704 50 0 JJAARO COc1cccc([C@@H](CNC(=O)c2cccnc2SCc2c(C)noc2C)[NH+]2CCCC2)c1 ZINC000027343575 556276534 /nfs/dbraw/zinc/27/65/34/556276534.db2.gz WQMVHYXACWVYGT-HSZRJFAPSA-N 1 0 466.607 4.554 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1)c1ccccc1 ZINC000018019206 556276787 /nfs/dbraw/zinc/27/67/87/556276787.db2.gz XBBDQLDCDUFHHA-RUZDIDTESA-N 1 0 465.619 4.609 50 0 JJAARO Cc1c(Nc2ccc(C[NH2+]C3CCN(Cc4ccccc4)CC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000013112537 556314058 /nfs/dbraw/zinc/31/40/58/556314058.db2.gz XWZZSBQYEVHVGW-UHFFFAOYSA-N 1 0 481.644 4.982 50 0 JJAARO CC1CC[NH+]([C@H](CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)c2cccs2)CC1 ZINC000013119737 556331856 /nfs/dbraw/zinc/33/18/56/556331856.db2.gz VKAKRTOJYJSEGZ-JOCHJYFZSA-N 1 0 454.640 4.581 50 0 JJAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000013119740 556331860 /nfs/dbraw/zinc/33/18/60/556331860.db2.gz FPWDNHOTXIIOOJ-QHCPKHFHSA-N 1 0 455.002 4.537 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)[NH+]2CCCC2)cc1 ZINC000013130171 556355085 /nfs/dbraw/zinc/35/50/85/556355085.db2.gz QUJDAVAAUNDBTJ-AREMUKBSSA-N 1 0 467.573 4.510 50 0 JJAARO COc1ccc([C@@H](CNC(=O)CSc2nnc(C)n2C2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000029770409 556357199 /nfs/dbraw/zinc/35/71/99/556357199.db2.gz XTZKJKPAGZCQRT-HSZRJFAPSA-N 1 0 471.671 4.536 50 0 JJAARO C[C@H]([NH2+]C[C@H](c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1)C(=O)N1CCOCC1 ZINC000019623107 556357906 /nfs/dbraw/zinc/35/79/06/556357906.db2.gz PVSGVBDLYFHFGB-OFVILXPXSA-N 1 0 453.586 4.804 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000032622754 556452807 /nfs/dbraw/zinc/45/28/07/556452807.db2.gz GCOYRTRCUBRMCR-AREMUKBSSA-N 1 0 468.553 4.869 50 0 JJAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)c1C ZINC000032810896 556501846 /nfs/dbraw/zinc/50/18/46/556501846.db2.gz HCOYULUEMWDJMC-NRFANRHFSA-N 1 0 458.606 4.840 50 0 JJAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(C)nc3scc(-c4cccs4)c32)CC1 ZINC000032927021 556544397 /nfs/dbraw/zinc/54/43/97/556544397.db2.gz JKBJNLCRFIDEKR-UHFFFAOYSA-N 1 0 471.696 4.793 50 0 JJAARO CC[NH+](CC)CCCn1c(SCC(=O)Nc2cccc(SC)c2)nc2ccccc2c1=O ZINC000032945145 556559951 /nfs/dbraw/zinc/55/99/51/556559951.db2.gz UJHJWMPMLUIZDD-UHFFFAOYSA-N 1 0 470.664 4.581 50 0 JJAARO CCCC(=O)Nc1nc2ccc(CC(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cc2s1 ZINC000032959748 556576314 /nfs/dbraw/zinc/57/63/14/556576314.db2.gz CXCDDVYAIWVQGY-UHFFFAOYSA-N 1 0 478.662 4.914 50 0 JJAARO CC[C@@H](NC(=O)Nc1ccc(OC)c(OC)c1)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000008590205 562942564 /nfs/dbraw/zinc/94/25/64/562942564.db2.gz WYVNWVLNIMVDCG-GOSISDBHSA-N 1 0 454.596 4.817 50 0 JJAARO Cc1cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(=O)n1Cc1ccco1 ZINC000008617144 562948183 /nfs/dbraw/zinc/94/81/83/562948183.db2.gz IXNZTVAYBUWDPR-MHZLTWQESA-N 1 0 473.548 4.554 50 0 aggregator JJAARO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061880687 563209683 /nfs/dbraw/zinc/20/96/83/563209683.db2.gz OPAGWTVJTNEONK-MRXNPFEDSA-N 1 0 484.449 4.766 50 0 JJAARO CCNC(=O)COc1ccc(-c2cccs2)cc1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055036079 569590499 /nfs/dbraw/zinc/59/04/99/569590499.db2.gz LJONZBVTZSMQHD-UHFFFAOYSA-N 1 0 463.647 4.869 50 0 JJAARO COC(=O)c1ccccc1NC(=O)c1c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)sc2c1CCC2 ZINC000055505522 569591983 /nfs/dbraw/zinc/59/19/83/569591983.db2.gz LWCYEDGSFOEPEM-INIZCTEOSA-N 1 0 477.586 4.565 50 0 JJAARO Clc1ccc(-c2nnn3c2nc(N2CC[NH+](Cc4ccccc4)CC2)c2ccccc23)cc1 ZINC000056968684 569593796 /nfs/dbraw/zinc/59/37/96/569593796.db2.gz ZTXCZIJNBOIFCS-UHFFFAOYSA-N 1 0 454.965 4.920 50 0 JJAARO Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000057264313 569594942 /nfs/dbraw/zinc/59/49/42/569594942.db2.gz FMJZIRBITPGMGU-UHFFFAOYSA-N 1 0 474.008 4.844 50 0 JJAARO COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1CN1CCN(c2ccccc2F)CC1 ZINC000057256204 569595006 /nfs/dbraw/zinc/59/50/06/569595006.db2.gz YLRMWGSKFXWGGQ-MUUNZHRXSA-N 1 0 470.592 4.873 50 0 biogenic JJAARO O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057273637 569595253 /nfs/dbraw/zinc/59/52/53/569595253.db2.gz DZDBMLLAHYUOAG-UHFFFAOYSA-N 1 0 473.602 4.692 50 0 JJAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000057383647 569599491 /nfs/dbraw/zinc/59/94/91/569599491.db2.gz LKDUTCIPMHJZIB-OAHLLOKOSA-N 1 0 451.910 4.610 50 0 JJAARO C[C@@H]([NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccc2ccccc2c1 ZINC000057383301 569599531 /nfs/dbraw/zinc/59/95/31/569599531.db2.gz ASQQMFOBDAGJHN-QGZVFWFLSA-N 1 0 472.010 4.567 50 0 JJAARO COc1ccc([C@@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)[NH+](C)C)cc1 ZINC000008724728 569599872 /nfs/dbraw/zinc/59/98/72/569599872.db2.gz PSGXBOAVFUMEFE-RUZDIDTESA-N 1 0 470.573 4.589 50 0 JJAARO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000008727149 569601160 /nfs/dbraw/zinc/60/11/60/569601160.db2.gz YRKWIUHEKZSVPM-JOCHJYFZSA-N 1 0 463.603 4.886 50 0 JJAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)C1 ZINC000032983900 569607110 /nfs/dbraw/zinc/60/71/10/569607110.db2.gz WVEWSNRGMSPVDB-XYLCRUHJSA-N 1 0 453.970 4.564 50 0 JJAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)C1 ZINC000032983899 569607213 /nfs/dbraw/zinc/60/72/13/569607213.db2.gz WVEWSNRGMSPVDB-XMSCMFJESA-N 1 0 453.970 4.564 50 0 JJAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)C1 ZINC000032984011 569607306 /nfs/dbraw/zinc/60/73/06/569607306.db2.gz SJJHYCBGDPWWDB-PGECNJAHSA-N 1 0 453.970 4.564 50 0 JJAARO O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000060365671 569608928 /nfs/dbraw/zinc/60/89/28/569608928.db2.gz SQKZTHXKPALHFI-UHFFFAOYSA-N 1 0 468.523 4.646 50 0 JJAARO Clc1cccc(N2CC[NH+](CCNc3nc4ccccc4c4nc(-c5ccccc5)nn43)CC2)c1 ZINC000063494558 569615281 /nfs/dbraw/zinc/61/52/81/569615281.db2.gz IJTJIJOCPXPCOU-UHFFFAOYSA-N 1 0 484.007 4.832 50 0 JJAARO Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+](C)C2CCCCC2)C3=O)o1 ZINC000033331901 569624355 /nfs/dbraw/zinc/62/43/55/569624355.db2.gz LHIOUXQAHQYODN-NDEPHWFRSA-N 1 0 482.669 4.861 50 0 JJAARO Cc1ccc(C[N@H+]2CCN(C(=S)NCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC23CCCCC3)cc1 ZINC000033738272 569632979 /nfs/dbraw/zinc/63/29/79/569632979.db2.gz HTTKUAUQGQVBGE-SONWIMMPSA-N 1 0 484.754 4.631 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000064817005 569634074 /nfs/dbraw/zinc/63/40/74/569634074.db2.gz WNALQLLDKHAXBT-UHFFFAOYSA-N 1 0 481.666 4.837 50 0 JJAARO O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1)NCC[NH+]1CCCCC1 ZINC000034679847 569642761 /nfs/dbraw/zinc/64/27/61/569642761.db2.gz IIZUTXUIMKSQSO-UHFFFAOYSA-N 1 0 473.592 4.817 50 0 JJAARO Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC[NH+]3CCCCC3)cc2)c1 ZINC000034680063 569642987 /nfs/dbraw/zinc/64/29/87/569642987.db2.gz BUDHLXFOWOVMPW-UHFFFAOYSA-N 1 0 459.590 4.580 50 0 JJAARO Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000034680086 569642991 /nfs/dbraw/zinc/64/29/91/569642991.db2.gz DYTUAUBBLZURKQ-UHFFFAOYSA-N 1 0 455.602 4.597 50 0 JJAARO Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000034680039 569643002 /nfs/dbraw/zinc/64/30/02/569643002.db2.gz CVTYWKRHAZFIQT-UHFFFAOYSA-N 1 0 461.631 4.658 50 0 JJAARO O=C(c1cccc(F)c1)N1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698336 569647604 /nfs/dbraw/zinc/64/76/04/569647604.db2.gz JYKCHTNRKOSKJQ-AJTFRIOCSA-N 1 0 479.546 4.782 50 0 JJAARO O=C(c1ccc(F)cc1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000034698307 569647624 /nfs/dbraw/zinc/64/76/24/569647624.db2.gz IRHZXGMRPWLBJW-AMGIVPHBSA-N 1 0 479.546 4.782 50 0 JJAARO COc1ccc(CC(=O)N2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034698019 569647628 /nfs/dbraw/zinc/64/76/28/569647628.db2.gz OXULMEOYRDHALJ-URXFXBBRSA-N 1 0 460.540 4.985 50 0 JJAARO COc1cc(-c2nc(C(=O)NCC[NH+](C)C)cs2)ccc1OCc1ccccc1C(F)(F)F ZINC000034712594 569651135 /nfs/dbraw/zinc/65/11/35/569651135.db2.gz IYYMJYWBDBTXNW-UHFFFAOYSA-N 1 0 479.524 4.708 50 0 JJAARO CC(C)[NH+]1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)COc4ccccc4)cc32)CC1 ZINC000034790574 569660145 /nfs/dbraw/zinc/66/01/45/569660145.db2.gz PCZLUUNJYLTAPZ-UHFFFAOYSA-N 1 0 470.573 4.914 50 0 JJAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034830046 569663555 /nfs/dbraw/zinc/66/35/55/569663555.db2.gz VUNJPARLAWPHDZ-HHHXNRCGSA-N 1 0 479.690 4.727 50 0 JJAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000034830238 569663610 /nfs/dbraw/zinc/66/36/10/569663610.db2.gz ZHSNHDKMAJVTCV-HHHXNRCGSA-N 1 0 481.706 4.891 50 0 JJAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)CC(C)(C)C ZINC000034830531 569663992 /nfs/dbraw/zinc/66/39/92/569663992.db2.gz DKEHJRCHZHMYBD-SIBVEZHUSA-N 1 0 485.669 4.720 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)NC3CCCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831377 569664124 /nfs/dbraw/zinc/66/41/24/569664124.db2.gz BUTFVLYAGRNSFU-UHFFFAOYSA-N 1 0 498.691 4.962 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)Nc1cccc(F)c1 ZINC000034831361 569664171 /nfs/dbraw/zinc/66/41/71/569664171.db2.gz MTYRYXSKLKRBHR-UHFFFAOYSA-N 1 0 482.579 4.655 50 0 JJAARO CC[NH+]1CCN(c2c(CN(C(=O)CCc3ccccc3)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831235 569664195 /nfs/dbraw/zinc/66/41/95/569664195.db2.gz WRIYCCYRCJTGFE-UHFFFAOYSA-N 1 0 473.665 4.692 50 0 JJAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)CC(C)C ZINC000034835461 569665136 /nfs/dbraw/zinc/66/51/36/569665136.db2.gz FQNZPEHFELWVNQ-UHFFFAOYSA-N 1 0 471.665 4.889 50 0 JJAARO CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1CN(CCOC)Cc1ccc(C)cc1C ZINC000034837005 569666463 /nfs/dbraw/zinc/66/64/63/569666463.db2.gz QUAVYWBHQYFPAF-UHFFFAOYSA-N 1 0 489.708 4.842 50 0 JJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000034912454 569671763 /nfs/dbraw/zinc/67/17/63/569671763.db2.gz ZBPQGKWWSHGEKG-UHFFFAOYSA-N 1 0 469.629 4.815 50 0 JJAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034925623 569673020 /nfs/dbraw/zinc/67/30/20/569673020.db2.gz YLTSIGBAKSDRNV-DHLKQENFSA-N 1 0 489.582 4.671 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(F)cc1)=N2 ZINC000035372711 569683346 /nfs/dbraw/zinc/68/33/46/569683346.db2.gz BQDFYYKMHLDREG-UHFFFAOYSA-N 1 0 462.953 4.613 50 0 JJAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(F)cc2)cc1 ZINC000035372656 569683138 /nfs/dbraw/zinc/68/31/38/569683138.db2.gz WVWHNFSXBFFJEH-UHFFFAOYSA-N 1 0 452.599 4.773 50 0 JJAARO COc1ccc(-c2noc(CCCC(=O)NCc3ccccc3C[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000069950505 569694149 /nfs/dbraw/zinc/69/41/49/569694149.db2.gz RGUDFONAJKRXSE-HXUWFJFHSA-N 1 0 462.594 4.759 50 0 JJAARO Cc1cccc(Cn2c(C[NH+]3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)cc3ccccc32)c1 ZINC000035451484 569696877 /nfs/dbraw/zinc/69/68/77/569696877.db2.gz GJGBQSHTVXNIPL-UHFFFAOYSA-N 1 0 487.644 4.576 50 0 JJAARO Cc1nc(-c2ccc(C)cc2)sc1C(=O)N1CCC([C@H](C)C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000035454695 569697561 /nfs/dbraw/zinc/69/75/61/569697561.db2.gz CPNFGMBSSJTKMM-FQEVSTJZSA-N 1 0 482.694 4.517 50 0 JJAARO C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562048 569704500 /nfs/dbraw/zinc/70/45/00/569704500.db2.gz AICUGIQNWTVJJE-LJQANCHMSA-N 1 0 485.072 4.787 50 0 JJAARO C[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562083 569704686 /nfs/dbraw/zinc/70/46/86/569704686.db2.gz ZWEOJWZXYRSMEE-IBGZPJMESA-N 1 0 481.040 4.558 50 0 JJAARO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCCC2 ZINC000085877440 569716023 /nfs/dbraw/zinc/71/60/23/569716023.db2.gz QYOCZGINUVALFF-HDYLNDSGSA-N 1 0 465.682 4.966 50 0 biogenic JJAARO CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871435 569718703 /nfs/dbraw/zinc/71/87/03/569718703.db2.gz QSOSOQCWOHHERG-POCHDABASA-N 1 0 463.519 4.622 50 0 JJAARO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871430 569718766 /nfs/dbraw/zinc/71/87/66/569718766.db2.gz OLEFIVVIZBOOFM-ISKFKSNPSA-N 1 0 487.497 4.617 50 0 JJAARO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871983 569719077 /nfs/dbraw/zinc/71/90/77/569719077.db2.gz NLHFZAPXSSZYHM-LADGPHEKSA-N 1 0 475.530 4.766 50 0 JJAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[NH2+][C@H](CO)Cc1ccccc1 ZINC000095473729 569724018 /nfs/dbraw/zinc/72/40/18/569724018.db2.gz WUQJPSSCORMYMZ-NRFANRHFSA-N 1 0 454.526 4.911 50 0 JJAARO CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1 ZINC000095925528 569730217 /nfs/dbraw/zinc/73/02/17/569730217.db2.gz ORZRFZQWLAPMJN-UHFFFAOYSA-N 1 0 489.689 4.745 50 0 JJAARO Nc1cc(N)[nH+]c(SCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)n1 ZINC000097663986 569745721 /nfs/dbraw/zinc/74/57/21/569745721.db2.gz ICQZVIZKOBZAHP-SRDUOIJHSA-N 1 0 470.602 4.556 50 0 JJAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000100142077 569753628 /nfs/dbraw/zinc/75/36/28/569753628.db2.gz HWDYDQTYTJZSIX-DEOSSOPVSA-N 1 0 493.529 4.745 50 0 JJAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(C)Cc1ccccc1)CC1CC1 ZINC000036249903 569758057 /nfs/dbraw/zinc/75/80/57/569758057.db2.gz WKQZHYLVQJTJJC-RUZDIDTESA-N 1 0 491.632 4.894 50 0 JJAARO COCCC[N@@H+](Cc1c(-c2ccccc2)noc1N(C)C1CCCCC1)C[C@@H](O)COC(C)C ZINC000036249924 569758164 /nfs/dbraw/zinc/75/81/64/569758164.db2.gz RCEFHVSDNNWHHE-XMMPIXPASA-N 1 0 473.658 4.735 50 0 JJAARO C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCCCC1)C(=O)c1cccc(F)c1 ZINC000036312671 569760228 /nfs/dbraw/zinc/76/02/28/569760228.db2.gz DWKIMMRFFBSDBE-UHFFFAOYSA-N 1 0 450.558 4.675 50 0 JJAARO CCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COCC ZINC000036316159 569762136 /nfs/dbraw/zinc/76/21/36/569762136.db2.gz AQQHIFKNUKJYAQ-HXUWFJFHSA-N 1 0 459.537 4.767 50 0 JJAARO Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c1 ZINC000036340565 569764011 /nfs/dbraw/zinc/76/40/11/569764011.db2.gz LKZHZYWSHJWIJF-HHHXNRCGSA-N 1 0 488.676 4.507 50 0 JJAARO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342036 569765214 /nfs/dbraw/zinc/76/52/14/569765214.db2.gz JEPNHJWGMWYHGQ-HSZRJFAPSA-N 1 0 455.574 4.968 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346647 569770412 /nfs/dbraw/zinc/77/04/12/569770412.db2.gz FCNXEOXGCVEIPT-JOCHJYFZSA-N 1 0 459.537 4.859 50 0 JJAARO CC(C)[NH+]1CCN(c2nc3nn(-c4ccccc4Cl)c(N)c3c(-c3cccc(Cl)c3)n2)CC1 ZINC000037359467 569783916 /nfs/dbraw/zinc/78/39/16/569783916.db2.gz XNCLYLOXNWINGY-UHFFFAOYSA-N 1 0 482.419 4.902 50 0 JJAARO Nc1c2c(nn1Cc1ccccc1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037375619 569784228 /nfs/dbraw/zinc/78/42/28/569784228.db2.gz DCKMJZZSDSRETA-UHFFFAOYSA-N 1 0 479.991 4.814 50 0 JJAARO Cn1nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037377573 569784465 /nfs/dbraw/zinc/78/44/65/569784465.db2.gz GOWJBTZZCKUFCY-UHFFFAOYSA-N 1 0 483.620 4.860 50 0 JJAARO CCCc1nc2c(c(C)nn2-c2ccc(F)cc2)c(N2CCC[N@H+](Cc3cccs3)CC2)n1 ZINC000037379723 569784874 /nfs/dbraw/zinc/78/48/74/569784874.db2.gz YZYUWKSWEFHUPT-UHFFFAOYSA-N 1 0 464.614 4.989 50 0 JJAARO Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC[NH+]1CCCC1 ZINC000037547141 569794462 /nfs/dbraw/zinc/79/44/62/569794462.db2.gz JUMILQZFGBEDLE-UHFFFAOYSA-N 1 0 472.511 4.535 50 0 JJAARO COc1ccc(OC)c(C[NH+]2CCC(c3nc(C)ccc3C(=O)N3CCC(C)CC3)CC2)c1 ZINC000037554386 569794572 /nfs/dbraw/zinc/79/45/72/569794572.db2.gz JFTNCUABBTXBNJ-UHFFFAOYSA-N 1 0 451.611 4.659 50 0 JJAARO Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc(CC(=O)NCC[NH+]3CCCC3)c2)cc1 ZINC000037600390 569796868 /nfs/dbraw/zinc/79/68/68/569796868.db2.gz NIXPPBVBZDMZBJ-UHFFFAOYSA-N 1 0 455.602 4.597 50 0 JJAARO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037588156 569796870 /nfs/dbraw/zinc/79/68/70/569796870.db2.gz ILLMXQFZDXYASG-UHFFFAOYSA-N 1 0 485.005 4.929 50 0 JJAARO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cc3ccc(F)cc3nc2-c2ccccc2C)n(C)n1 ZINC000102179890 569810827 /nfs/dbraw/zinc/81/08/27/569810827.db2.gz XWSMTKTZPOZXCG-UHFFFAOYSA-N 1 0 459.569 4.595 50 0 JJAARO COc1ccc(-c2csc(C3=C(N)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC3=O)n2)cc1OC ZINC000102720946 569817369 /nfs/dbraw/zinc/81/73/69/569817369.db2.gz PORJSJSWKDURSL-UHFFFAOYSA-N 1 0 456.612 4.698 50 0 JJAARO CC(C)([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Br)cc1 ZINC000040149544 569819232 /nfs/dbraw/zinc/81/92/32/569819232.db2.gz YBERKYIJIPYYNY-UHFFFAOYSA-N 1 0 482.304 4.512 50 0 JJAARO Cc1cc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)ccc1Br ZINC000040155686 569820889 /nfs/dbraw/zinc/82/08/89/569820889.db2.gz JVWCBXBKOFKWGQ-UHFFFAOYSA-N 1 0 482.216 4.754 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355780 569823993 /nfs/dbraw/zinc/82/39/93/569823993.db2.gz GTLIGFISDVTFMA-CYBMUJFWSA-N 1 0 455.411 4.697 50 0 JJAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355928 569824149 /nfs/dbraw/zinc/82/41/49/569824149.db2.gz NFYAXBZUFVGYEU-UHFFFAOYSA-N 1 0 476.524 4.618 50 0 JJAARO COc1ccccc1-c1nn2c(nc(C[N@@H+](Cc3ccc(F)cc3)CC(C)C)cc2=O)s1 ZINC000046032220 569842974 /nfs/dbraw/zinc/84/29/74/569842974.db2.gz OYFJOWPDNPKQRC-UHFFFAOYSA-N 1 0 452.555 4.624 50 0 JJAARO CC[C@H]1C[N@H+](CCC(=O)N[C@H](c2ccncc2)c2ccccc2C)Cc2cc(OC)ccc2O1 ZINC000104452781 569845722 /nfs/dbraw/zinc/84/57/22/569845722.db2.gz GQKLYLYPZABQGU-NEKDWFFYSA-N 1 0 459.590 4.668 50 0 JJAARO C[C@H]1CCc2c(sc3nc(C[N@H+](C[C@@H](O)COCc4ccccc4)C4CCCCC4)[nH]c(=O)c23)C1 ZINC000104988396 569848761 /nfs/dbraw/zinc/84/87/61/569848761.db2.gz XMOWRIKPWSDFRI-SIKLNZKXSA-N 1 0 495.689 4.822 50 0 JJAARO CC(C)[C@@H]([NH2+]CC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1)c1ccc(C2CCCCC2)cc1 ZINC000049574723 569848911 /nfs/dbraw/zinc/84/89/11/569848911.db2.gz QLIVVOVTXFWNCE-RPLLCQBOSA-N 1 0 486.678 4.830 50 0 JJAARO CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000105001275 569848928 /nfs/dbraw/zinc/84/89/28/569848928.db2.gz UJQVRBFYZCWNHZ-NOZRDPDXSA-N 1 0 497.611 4.745 50 0 JJAARO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@@H](O)COCc3ccccc3)C2)cc1 ZINC000169677621 569868792 /nfs/dbraw/zinc/86/87/92/569868792.db2.gz YKBSAKYVPVDQGO-VPUSJEBWSA-N 1 0 495.019 4.922 50 0 JJAARO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169677756 569868929 /nfs/dbraw/zinc/86/89/29/569868929.db2.gz FGZPFPWWKCLIKZ-QPPBQGQZSA-N 1 0 475.530 4.766 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000169679584 569869889 /nfs/dbraw/zinc/86/98/89/569869889.db2.gz FPSPMIXGABTZRW-JYFHCDHNSA-N 1 0 478.658 4.569 50 0 JJAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000169681579 569870782 /nfs/dbraw/zinc/87/07/82/569870782.db2.gz LWOWHYDKQFPAKV-RPLLCQBOSA-N 1 0 492.685 4.877 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000230076702 570044583 /nfs/dbraw/zinc/04/45/83/570044583.db2.gz MQPFAXFHUBINJK-RPWUZVMVSA-N 1 0 455.668 4.923 50 0 JJAARO O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230079593 570044577 /nfs/dbraw/zinc/04/45/77/570044577.db2.gz QJLGNTINFPMPTL-RBUKOAKNSA-N 1 0 455.649 4.745 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228586 570055718 /nfs/dbraw/zinc/05/57/18/570055718.db2.gz UVCLAYHRSLJRSQ-FUFSCUOVSA-N 1 0 478.681 4.959 50 0 JJAARO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000245238092 570057366 /nfs/dbraw/zinc/05/73/66/570057366.db2.gz RDHGANXPSWXRPB-RTBURBONSA-N 1 0 473.061 4.690 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000245240542 570058163 /nfs/dbraw/zinc/05/81/63/570058163.db2.gz PZKXVMUUWQJJGR-AOWXIACESA-N 1 0 482.669 4.798 50 0 JJAARO CCc1cc(N2CCCC[C@H]2C)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 ZINC000245326161 570064653 /nfs/dbraw/zinc/06/46/53/570064653.db2.gz DLNUMKMDWDISPD-XMSQKQJNSA-N 1 0 454.640 4.619 50 0 JJAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](CCC(C)C)C[C@H](C)O)c(C)c1 ZINC000245330122 570066613 /nfs/dbraw/zinc/06/66/13/570066613.db2.gz XHBHCFTYTJAZIQ-JTHBVZDNSA-N 1 0 458.668 4.599 50 0 JJAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000245330435 570066736 /nfs/dbraw/zinc/06/67/36/570066736.db2.gz YNUDKDOMOIZYGL-VXKWHMMOSA-N 1 0 467.683 4.615 50 0 JJAARO O=C(COc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NC[C@H]1CCCO1 ZINC000247744113 570069222 /nfs/dbraw/zinc/06/92/22/570069222.db2.gz QAGZJFUVNPAQSD-GGXMVOPNSA-N 1 0 456.586 4.508 50 0 JJAARO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4C(C)C)C3)CC2)c(C)c1 ZINC000247991826 570072288 /nfs/dbraw/zinc/07/22/88/570072288.db2.gz KTWXQZDGZBJLQW-DEOSSOPVSA-N 1 0 473.665 4.795 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc(F)cc3)=NO2)c1 ZINC000248047128 570073219 /nfs/dbraw/zinc/07/32/19/570073219.db2.gz XNFRTBQDIRKQFD-AOYPEHQESA-N 1 0 478.564 4.578 50 0 JJAARO Cc1ccc(Cn2nc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000261492602 570170066 /nfs/dbraw/zinc/17/00/66/570170066.db2.gz PJSLAPKGHCMWDT-UHFFFAOYSA-N 1 0 496.644 4.550 50 0 JJAARO O=C(Cc1ccc(N2CCC([N@@H+]3CCOc4ccccc4C3)CC2)cc1)NCCc1cccc(F)c1 ZINC000299761922 570174652 /nfs/dbraw/zinc/17/46/52/570174652.db2.gz BTZQJBRVZAAHRP-UHFFFAOYSA-N 1 0 487.619 4.591 50 0 JJAARO Cc1cc(=O)c(C(=O)N2CC[C@H]([NH+](C)C)C2)c2n1-c1ccccc1S[C@H](c1ccc(F)c(F)c1)C2 ZINC000299782084 570176531 /nfs/dbraw/zinc/17/65/31/570176531.db2.gz XXMSNVHGOYAGTN-BVZFJXPGSA-N 1 0 495.595 4.590 50 0 JJAARO c1c(-c2ccccc2)sc2nc(-c3cccnc3)nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c12 ZINC000015130068 721918242 /nfs/dbraw/zinc/91/82/42/721918242.db2.gz BSYRIHKTVOCJSV-OAQYLSRUSA-N 1 0 457.603 4.721 50 0 JJAARO O=S(=O)(c1ccccc1)N(C[C@H](O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000001888049 194152510 /nfs/dbraw/zinc/15/25/10/194152510.db2.gz JYEPVXUPCWRKDK-MUUNZHRXSA-N 1 0 486.637 4.945 50 0 JJAARO CC[NH+](CC)CCn1c(SCC(=O)Nc2ccccc2OC)nc2c3ccccc3sc2c1=O ZINC000002961774 194182040 /nfs/dbraw/zinc/18/20/40/194182040.db2.gz RXWOZSUUBJPZPT-UHFFFAOYSA-N 1 0 496.658 4.692 50 0 JJAARO C[NH+](C)CCCNC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)NC(=O)c1ccccc1 ZINC000003014697 194206954 /nfs/dbraw/zinc/20/69/54/194206954.db2.gz CELHVNGSELGNMX-XLNRJJMWSA-N 1 0 496.405 4.548 50 0 JJAARO C[NH+](C)CCNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 ZINC000003227221 194244465 /nfs/dbraw/zinc/24/44/65/194244465.db2.gz MRMQVTXYZHPKGM-UHFFFAOYSA-N 1 0 473.646 4.545 50 0 JJAARO C[NH+](C)[C@H](CN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21)c1cccs1 ZINC000003419144 194318237 /nfs/dbraw/zinc/31/82/37/194318237.db2.gz ZLUJSLQRWXAJBX-JCZXDDDQSA-N 1 0 451.979 4.822 50 0 JJAARO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CCc3ccccc3)sc3c2CCC3)cc1 ZINC000003462294 194330804 /nfs/dbraw/zinc/33/08/04/194330804.db2.gz YHKZRYIZURGMRP-UHFFFAOYSA-N 1 0 463.603 4.659 50 0 JJAARO CC[N@H+](CCCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)Cc1cccc(C)c1 ZINC000003645933 194348517 /nfs/dbraw/zinc/34/85/17/194348517.db2.gz BXDHIUJYXYNZKE-UHFFFAOYSA-N 1 0 477.678 4.630 50 0 JJAARO O=C(CC[NH2+]Cc1ccccn1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000004121877 194380086 /nfs/dbraw/zinc/38/00/86/194380086.db2.gz HJTAMRODPYFHPV-UHFFFAOYSA-N 1 0 499.434 4.765 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004757265 194394866 /nfs/dbraw/zinc/39/48/66/194394866.db2.gz YVYMPKBXSAUQME-AZGAKELHSA-N 1 0 469.601 4.557 50 0 JJAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000009377057 194723608 /nfs/dbraw/zinc/72/36/08/194723608.db2.gz PNEAYPFFWBGROO-HXOBKFHXSA-N 1 0 476.042 4.583 50 0 JJAARO Cc1noc(C)c1COc1ccc(CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000009619712 194825789 /nfs/dbraw/zinc/82/57/89/194825789.db2.gz SIMJHIHMYQTKGC-UHFFFAOYSA-N 1 0 467.997 4.847 50 0 JJAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009640900 194845420 /nfs/dbraw/zinc/84/54/20/194845420.db2.gz VPFLDCXWJAICMR-UHFFFAOYSA-N 1 0 451.574 4.519 50 0 JJAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000009942492 195030024 /nfs/dbraw/zinc/03/00/24/195030024.db2.gz HJUPIOARYYZZLB-UHFFFAOYSA-N 1 0 450.583 4.848 50 0 JJAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)c(Br)s3)c(C)c2)CC1 ZINC000012607068 195052212 /nfs/dbraw/zinc/05/22/12/195052212.db2.gz UZJSOCMQETZANK-UHFFFAOYSA-N 1 0 487.261 4.976 50 0 JJAARO O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012608512 195052815 /nfs/dbraw/zinc/05/28/15/195052815.db2.gz XKBOSIFPUWCHBK-RUZDIDTESA-N 1 0 483.641 4.980 50 0 JJAARO Cc1c(Cl)cccc1NC(=O)CNC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000012643984 195073005 /nfs/dbraw/zinc/07/30/05/195073005.db2.gz JNVSLEDOXRDXEY-UHFFFAOYSA-N 1 0 457.018 4.580 50 0 JJAARO CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000012690674 195088104 /nfs/dbraw/zinc/08/81/04/195088104.db2.gz ZRXHRDOEJOVGHM-UHFFFAOYSA-N 1 0 498.048 4.691 50 0 JJAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N[C@@H](C)CCc3ccco3)c(=O)cc21 ZINC000012658477 195078858 /nfs/dbraw/zinc/07/88/58/195078858.db2.gz YJTLNOGAEPUTRY-JTSKRJEESA-N 1 0 478.589 4.973 50 0 biogenic JJAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccc(C3CCCCC3)cc2)C(C)C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000012797814 195137302 /nfs/dbraw/zinc/13/73/02/195137302.db2.gz ODLXTEFVUCMDTB-OZXSUGGESA-N 1 0 486.682 4.524 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000012814617 195146307 /nfs/dbraw/zinc/14/63/07/195146307.db2.gz QTNXUSLBRAGBNV-UHFFFAOYSA-N 1 0 458.606 4.772 50 0 JJAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1 ZINC000012816455 195147018 /nfs/dbraw/zinc/14/70/18/195147018.db2.gz FXWBMPWYBLSHPF-UHFFFAOYSA-N 1 0 483.609 4.707 50 0 JJAARO O=C(CCc1nc(-c2ccco2)no1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012896590 195175539 /nfs/dbraw/zinc/17/55/39/195175539.db2.gz AINXURNTGUGJIT-UHFFFAOYSA-N 1 0 456.546 4.841 50 0 JJAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000020734098 195211758 /nfs/dbraw/zinc/21/17/58/195211758.db2.gz KQEHRABQPQLMIM-YEUFIRJSSA-N 1 0 479.646 4.878 50 0 JJAARO COc1cccc(-c2cc3ccc4c(c3oc2=O)CN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CO4)c1 ZINC000020762188 195218659 /nfs/dbraw/zinc/21/86/59/195218659.db2.gz XQWCWYBHNSIZOT-SQJMNOBHSA-N 1 0 460.574 4.885 50 0 biogenic JJAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CC[NH+]1CCCCCC1)C3=O ZINC000020903217 195242817 /nfs/dbraw/zinc/24/28/17/195242817.db2.gz PJOJPGXFCCOAAO-LJAQVGFWSA-N 1 0 494.680 4.579 50 0 JJAARO C[C@]1(C(=O)NC2CCCCCCC2)Cn2c(cc3ccccc32)C(=O)N1CCC[NH+]1CCCCC1 ZINC000020903405 195243448 /nfs/dbraw/zinc/24/34/48/195243448.db2.gz VPIYATFSZOEBMA-GDLZYMKVSA-N 1 0 478.681 4.961 50 0 JJAARO Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020938382 195253969 /nfs/dbraw/zinc/25/39/69/195253969.db2.gz MHWTVFGHCZZLMG-UHFFFAOYSA-N 1 0 471.605 4.613 50 0 JJAARO Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000020939499 195254616 /nfs/dbraw/zinc/25/46/16/195254616.db2.gz HZCLIQREIPIZFM-UHFFFAOYSA-N 1 0 481.666 4.839 50 0 JJAARO C[NH+](C)CCN(Cc1ccco1)C(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1 ZINC000020942430 195256025 /nfs/dbraw/zinc/25/60/25/195256025.db2.gz UOHSDBZRXGOJEK-VAWYXSNFSA-N 1 0 463.559 4.943 50 0 JJAARO C[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)cc2F)C1 ZINC000020927258 195249382 /nfs/dbraw/zinc/24/93/82/195249382.db2.gz RBIGYPQKBFDESK-UHFFFAOYSA-N 1 0 463.376 4.750 50 0 JJAARO CC(C)N1C[C@H]([NH2+]Cc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000020995793 195264490 /nfs/dbraw/zinc/26/44/90/195264490.db2.gz CZWZYEDHDUYQIZ-IAPPQJPRSA-N 1 0 459.609 4.793 50 0 JJAARO CCN(Cc1ccccc1)C(=O)CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000020999502 195265388 /nfs/dbraw/zinc/26/53/88/195265388.db2.gz HOSPRNNZXVJUBN-AHKZPQOWSA-N 1 0 484.084 4.692 50 0 JJAARO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCCCC2)cc1 ZINC000021351905 195296581 /nfs/dbraw/zinc/29/65/81/195296581.db2.gz JWLCGPOJLBZTIN-HSZRJFAPSA-N 1 0 461.562 4.768 50 0 JJAARO Cc1ccc2[nH]c(C(=O)N3CC[NH+](C4CCCCC4)CC3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021362048 195299158 /nfs/dbraw/zinc/29/91/58/195299158.db2.gz VIJLDPFWYUTZIC-UHFFFAOYSA-N 1 0 462.569 4.958 50 0 JJAARO Cc1cccc(N2CC[NH+](C[C@H](O)COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C ZINC000021475833 195302550 /nfs/dbraw/zinc/30/25/50/195302550.db2.gz ULBMFCHDEDWOIV-IBGZPJMESA-N 1 0 476.461 4.903 50 0 JJAARO CCC[NH+](CCC)CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526698 195305069 /nfs/dbraw/zinc/30/50/69/195305069.db2.gz CUUHTHGXDBPGKF-HHHXNRCGSA-N 1 0 470.658 4.800 50 0 JJAARO O=C(NCC[NH+]1CCCC1)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000021528312 195306511 /nfs/dbraw/zinc/30/65/11/195306511.db2.gz DVTHMABCPNVKLV-UHFFFAOYSA-N 1 0 471.630 4.598 50 0 JJAARO CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c3C)cc1OCC ZINC000021913955 195331701 /nfs/dbraw/zinc/33/17/01/195331701.db2.gz PQQAZTGWCSEKOS-IBGZPJMESA-N 1 0 493.652 4.805 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3cc(-c4cccnc4)nc4ccccc43)C[C@@H]2C)c1 ZINC000021934654 195335903 /nfs/dbraw/zinc/33/59/03/195335903.db2.gz DNAOJOAECSRQIU-QHCPKHFHSA-N 1 0 479.628 4.936 50 0 JJAARO CCOc1cc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc(OCC)c1OCC ZINC000058153584 195367150 /nfs/dbraw/zinc/36/71/50/195367150.db2.gz ZQTGWOZQDUCCAI-UHFFFAOYSA-N 1 0 458.624 4.726 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCCCCC[NH+](C)C)cc1OC ZINC000058162645 195369549 /nfs/dbraw/zinc/36/95/49/195369549.db2.gz DQIKNHADKJHFCI-UHFFFAOYSA-N 1 0 464.610 4.798 50 0 JJAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000058164046 195369684 /nfs/dbraw/zinc/36/96/84/195369684.db2.gz XDWXIVQLGCZPEC-SFHVURJKSA-N 1 0 472.010 4.845 50 0 JJAARO O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000058172359 195371235 /nfs/dbraw/zinc/37/12/35/195371235.db2.gz UMFXCAPUFABDLH-UHFFFAOYSA-N 1 0 465.601 4.766 50 0 JJAARO O=c1c(Cl)c(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cnn1-c1ccccc1 ZINC000059394441 195398566 /nfs/dbraw/zinc/39/85/66/195398566.db2.gz HBDOIMFIFFAQPO-UHFFFAOYSA-N 1 0 462.903 4.981 50 0 JJAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)c1 ZINC000059410743 195399137 /nfs/dbraw/zinc/39/91/37/195399137.db2.gz UJIPMGQYUYGSPA-NHCUHLMSSA-N 1 0 477.678 4.727 50 0 JJAARO COc1ccc(C[NH+]2CCC(NC(=O)c3sc(C)nc3-c3ccccc3)CC2)cc1OC ZINC000096232508 130001033 /nfs/dbraw/zinc/00/10/33/130001033.db2.gz MYWLVUVFCXTPNL-UHFFFAOYSA-N 1 0 451.592 4.530 50 0 JJAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc2ccccc21 ZINC000096316576 130059198 /nfs/dbraw/zinc/05/91/98/130059198.db2.gz UVSZNZCOBJRENH-NDEPHWFRSA-N 1 0 475.592 4.879 50 0 JJAARO O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000096402992 130079239 /nfs/dbraw/zinc/07/92/39/130079239.db2.gz DTYNPUUAJNLONK-KMAVEXBHSA-N 1 0 467.573 4.884 50 0 JJAARO C1=C/COCc2cc(ccc2OCC[NH+]2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1 ZINC000043153645 518573289 /nfs/dbraw/zinc/57/32/89/518573289.db2.gz HWXVIOGONBBTBY-ONEGZZNKSA-N 1 0 472.589 4.965 50 0 investigational JJAARO CC(C)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCCC1)C[C@H](O)COCc1ccccc1 ZINC000036149170 519717877 /nfs/dbraw/zinc/71/78/77/519717877.db2.gz DNCFBJSHZFZPON-VWLOTQADSA-N 1 0 463.622 4.978 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036304475 520095248 /nfs/dbraw/zinc/09/52/48/520095248.db2.gz JFDGWYCSRWECLC-REWPJTCUSA-N 1 0 467.610 4.980 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C1CCCCC1 ZINC000036206528 520095766 /nfs/dbraw/zinc/09/57/66/520095766.db2.gz ZWOWJMJGLNUWEZ-FQEVSTJZSA-N 1 0 469.651 4.801 50 0 JJAARO CC1(C)CC(=O)c2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)n(-c3cccc(Cl)c3)c2C1 ZINC000012402461 520274314 /nfs/dbraw/zinc/27/43/14/520274314.db2.gz DRBJFCSYLVMRTM-UHFFFAOYSA-N 1 0 484.040 4.685 50 0 JJAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1 ZINC000012300136 520458457 /nfs/dbraw/zinc/45/84/57/520458457.db2.gz KTGZHRDPAICOAJ-UHFFFAOYSA-N 1 0 451.542 4.830 50 0 JJAARO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2ccc(O)cc2OC)CC1 ZINC000012469343 520466051 /nfs/dbraw/zinc/46/60/51/520466051.db2.gz BFAWKUUSBGQTGH-UHFFFAOYSA-N 1 0 451.485 4.808 50 0 JJAARO CCO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1cccc(OC)c1)CC2 ZINC000014967180 520588073 /nfs/dbraw/zinc/58/80/73/520588073.db2.gz ANMYYFWGINDWDP-FTJBHMTQSA-N 1 0 460.574 4.712 50 0 JJAARO CC[NH+](CC)CCCN1CC(=O)N2[C@@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000002095794 520605265 /nfs/dbraw/zinc/60/52/65/520605265.db2.gz CYRJFSLVTWAUNE-WNJJXGMVSA-N 1 0 486.660 4.708 50 0 biogenic JJAARO CC[NH+](CC)CCCNC(=O)[C@H](C)C1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000065006940 520617801 /nfs/dbraw/zinc/61/78/01/520617801.db2.gz HYDKOJNZKKWIIE-GOSISDBHSA-N 1 0 488.673 4.594 50 0 JJAARO CC[NH+](CC)CCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033115995 520617834 /nfs/dbraw/zinc/61/78/34/520617834.db2.gz SCMKKIGOEIIXPL-OAQYLSRUSA-N 1 0 490.648 4.831 50 0 JJAARO CC[NH+](CC)CCCNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000004118692 520620467 /nfs/dbraw/zinc/62/04/67/520620467.db2.gz ZXLHCFCSJUDYQU-UHFFFAOYSA-N 1 0 459.925 4.592 50 0 JJAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F ZINC000022569241 520639460 /nfs/dbraw/zinc/63/94/60/520639460.db2.gz KNLQUAJWKRYFTQ-QZTJIDSGSA-N 1 0 461.586 4.525 50 0 JJAARO CC[NH+](CC)CCCN1C(=S)N=NC1c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F ZINC000022569234 520639824 /nfs/dbraw/zinc/63/98/24/520639824.db2.gz KNLQUAJWKRYFTQ-ZWKOTPCHSA-N 1 0 461.586 4.525 50 0 JJAARO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c1 ZINC000040116228 520684844 /nfs/dbraw/zinc/68/48/44/520684844.db2.gz PSHQXOVJQOYHLR-UHFFFAOYSA-N 1 0 465.623 4.509 50 0 JJAARO CC[N@H+](CCCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)Cc1ccccc1 ZINC000020508773 521023324 /nfs/dbraw/zinc/02/33/24/521023324.db2.gz RZHLWUASSMSXJC-UHFFFAOYSA-N 1 0 469.585 4.641 50 0 JJAARO CC1CC[NH+](Cc2ccc(NC(=O)c3nc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)cc2)CC1 ZINC000033088551 521025566 /nfs/dbraw/zinc/02/55/66/521025566.db2.gz XISBSJUCZRQIGR-UHFFFAOYSA-N 1 0 484.482 4.887 50 0 JJAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)NCCC4=CCCCC4)c4ccccc34)o2)CC1 ZINC000033129387 521028387 /nfs/dbraw/zinc/02/83/87/521028387.db2.gz YSQORQOLOSNGLU-UHFFFAOYSA-N 1 0 461.610 4.930 50 0 JJAARO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cc4ccccc4o3)CC2)[C@H]1OCCOC ZINC000012244473 521182687 /nfs/dbraw/zinc/18/26/87/521182687.db2.gz YYNYEIRLLXCBMU-SXOMAYOGSA-N 1 0 462.590 4.579 50 0 JJAARO CCOc1cccc(CC(=O)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)c1OCC ZINC000033084661 521328196 /nfs/dbraw/zinc/32/81/96/521328196.db2.gz BGVXDMCDUPDSQR-UHFFFAOYSA-N 1 0 476.621 4.664 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCC(C)CC3)cc21 ZINC000006144612 521394550 /nfs/dbraw/zinc/39/45/50/521394550.db2.gz RGZMWRAGGBERSC-QHCPKHFHSA-N 1 0 464.606 4.896 50 0 JJAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c21 ZINC000008596981 521402101 /nfs/dbraw/zinc/40/21/01/521402101.db2.gz OPYBWVAKCBJGEF-UHFFFAOYSA-N 1 0 486.016 4.602 50 0 JJAARO CCCc1ccc([C@@H]([NH2+]Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C(C)C)cc1 ZINC000024830157 521416532 /nfs/dbraw/zinc/41/65/32/521416532.db2.gz OGFGNXHBKNHLJK-MHZLTWQESA-N 1 0 498.693 4.517 50 0 JJAARO CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc2)n1 ZINC000022655255 521447182 /nfs/dbraw/zinc/44/71/82/521447182.db2.gz PLOUZUIYBVZJEL-UXHICEINSA-N 1 0 456.631 4.803 50 0 JJAARO CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014752845 521525547 /nfs/dbraw/zinc/52/55/47/521525547.db2.gz VHTRTNIRNTVVHE-UHFFFAOYSA-N 1 0 494.639 4.904 50 0 JJAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014755359 521526759 /nfs/dbraw/zinc/52/67/59/521526759.db2.gz YHSPLYHGTZHOPD-UHFFFAOYSA-N 1 0 453.586 4.626 50 0 JJAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000014748208 521527672 /nfs/dbraw/zinc/52/76/72/521527672.db2.gz XUINIWZZHJYKQS-UHFFFAOYSA-N 1 0 463.603 4.729 50 0 JJAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21 ZINC000046007470 521628962 /nfs/dbraw/zinc/62/89/62/521628962.db2.gz HORUWNLUKYOFKG-UHFFFAOYSA-N 1 0 480.609 4.956 50 0 JJAARO CCC[N@@H+](Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C[C@@H](O)COCC ZINC000036303388 521680263 /nfs/dbraw/zinc/68/02/63/521680263.db2.gz OZBRFWWTUKXIOF-JOCHJYFZSA-N 1 0 497.636 4.854 50 0 JJAARO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268833 521684179 /nfs/dbraw/zinc/68/41/79/521684179.db2.gz FTNBUSACRSYMPS-UHFFFAOYSA-N 1 0 479.602 4.861 50 0 JJAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cccc(Br)c4)ccc3n2)CC1 ZINC000033084651 521696739 /nfs/dbraw/zinc/69/67/39/521696739.db2.gz WNQRTDXNXBWAQG-UHFFFAOYSA-N 1 0 453.384 4.700 50 0 JJAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4ccco4)cc3)n2)CC1 ZINC000036065087 521696926 /nfs/dbraw/zinc/69/69/26/521696926.db2.gz RTONCQPULLGVEC-UHFFFAOYSA-N 1 0 493.677 4.731 50 0 JJAARO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@@H+](C1CCN(C(C)=O)CC1)C2 ZINC000014879782 521910301 /nfs/dbraw/zinc/91/03/01/521910301.db2.gz SRWMHCSPLTWYAW-UHFFFAOYSA-N 1 0 483.918 4.635 50 0 JJAARO C[N@H+](CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1)C1CCCCC1 ZINC000021864189 522744607 /nfs/dbraw/zinc/74/46/07/522744607.db2.gz BCGJPMQDBQEONH-NDEPHWFRSA-N 1 0 480.653 4.676 50 0 JJAARO C[N@H+](CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCC1)C1CCCCC1 ZINC000021808498 522821953 /nfs/dbraw/zinc/82/19/53/522821953.db2.gz JBBVXPOYANLXAO-AREMUKBSSA-N 1 0 470.683 4.631 50 0 JJAARO C[N@H+](CCNC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000033255190 522846202 /nfs/dbraw/zinc/84/62/02/522846202.db2.gz RPDMXVYCKDXYGJ-UHFFFAOYSA-N 1 0 474.605 4.581 50 0 JJAARO CN(CCc1ccccn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)ccc2o1 ZINC000012470798 522963086 /nfs/dbraw/zinc/96/30/86/522963086.db2.gz VLQKWWDXDZAOJN-UHFFFAOYSA-N 1 0 487.575 4.765 50 0 JJAARO COc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCCC3)cs2)cc1 ZINC000008726977 523195365 /nfs/dbraw/zinc/19/53/65/523195365.db2.gz RPYOTVJAZCSBJX-DEOSSOPVSA-N 1 0 465.619 4.713 50 0 JJAARO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000016599512 523242137 /nfs/dbraw/zinc/24/21/37/523242137.db2.gz PXYWVCVGPDXMSM-XMMPIXPASA-N 1 0 470.573 4.589 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014537355 523290834 /nfs/dbraw/zinc/29/08/34/523290834.db2.gz PNXKXDJCJSWNLY-UHFFFAOYSA-N 1 0 451.611 4.521 50 0 JJAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000034912449 523322755 /nfs/dbraw/zinc/32/27/55/523322755.db2.gz FGEUYBFJPVLISS-UHFFFAOYSA-N 1 0 475.677 4.959 50 0 JJAARO CN(Cc1cscn1)C(=O)c1cc2cc(C3(O)CC[NH+](Cc4ccc(F)cc4)CC3)ccc2o1 ZINC000014978216 523536475 /nfs/dbraw/zinc/53/64/75/523536475.db2.gz JHSRJFZPQKDTGP-UHFFFAOYSA-N 1 0 479.577 4.784 50 0 JJAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000014540798 523717904 /nfs/dbraw/zinc/71/79/04/523717904.db2.gz PMVOHHLLRMCKFX-UHFFFAOYSA-N 1 0 455.558 4.908 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COC(C)(C)C ZINC000036307459 523735066 /nfs/dbraw/zinc/73/50/66/523735066.db2.gz ZYFWGPVEVYITKH-QFIPXVFZSA-N 1 0 485.600 4.643 50 0 JJAARO CCc1cc2c(ncnc2N2CCC(C(=O)NCC3CC[NH+](Cc4ccccc4C)CC3)CC2)s1 ZINC000033078241 523848605 /nfs/dbraw/zinc/84/86/05/523848605.db2.gz KHXRKPOPYPOFAS-UHFFFAOYSA-N 1 0 491.705 4.807 50 0 JJAARO COc1ccc(C2=NO[C@H](C[N@@H+](Cc3cccc(Cl)c3)C[C@H](O)COCc3ccccc3)C2)cc1 ZINC000036146207 523881401 /nfs/dbraw/zinc/88/14/01/523881401.db2.gz YKBSAKYVPVDQGO-BDYUSTAISA-N 1 0 495.019 4.922 50 0 JJAARO C[NH+]1CCN(Cn2nc(CSc3nc4ccccc4s3)n(Cc3ccccc3)c2=S)CC1 ZINC000022922099 523913474 /nfs/dbraw/zinc/91/34/74/523913474.db2.gz NMDSYXIYFRCIID-UHFFFAOYSA-N 1 0 482.704 4.569 50 0 JJAARO COc1ccc(CCN2C(=O)N(C)C(=O)C23CC[NH+](Cc2ccc4c(c2)Cc2ccccc2-4)CC3)cc1 ZINC000014752043 523945462 /nfs/dbraw/zinc/94/54/62/523945462.db2.gz WXWBPCJSRVLNJD-UHFFFAOYSA-N 1 0 495.623 4.738 50 0 JJAARO CN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000012202525 523949843 /nfs/dbraw/zinc/94/98/43/523949843.db2.gz KHGILFYXTCKREI-MHZLTWQESA-N 1 0 455.602 4.612 50 0 JJAARO COc1ccc(CCNC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccc(Cl)c4)oc3C)C2)cc1OC ZINC000004099404 523967552 /nfs/dbraw/zinc/96/75/52/523967552.db2.gz XKASPWGJHVQHDB-NRFANRHFSA-N 1 0 498.023 4.892 50 0 JJAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](Cc4cc5ccccc5[nH]4)CC3)C2=O)cc1 ZINC000014741146 524019426 /nfs/dbraw/zinc/01/94/26/524019426.db2.gz VIZHSCCQHLRHSA-UHFFFAOYSA-N 1 0 474.605 4.632 50 0 JJAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c(F)c1 ZINC000014949061 524025942 /nfs/dbraw/zinc/02/59/42/524025942.db2.gz QTOQEMMBTJMGHH-UHFFFAOYSA-N 1 0 450.558 4.829 50 0 JJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3sc4ncccc4c3-n3cccc3)CC2)c1 ZINC000033059880 524125073 /nfs/dbraw/zinc/12/50/73/524125073.db2.gz SKSDJWXKRQKTEC-UHFFFAOYSA-N 1 0 473.646 4.646 50 0 JJAARO C[C@@H](C(=O)NCC[NH+]1CCCC1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407240 524187016 /nfs/dbraw/zinc/18/70/16/524187016.db2.gz LJWOBFQCDBDBKS-HNNXBMFYSA-N 1 0 463.384 4.846 50 0 JJAARO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008610913 524217395 /nfs/dbraw/zinc/21/73/95/524217395.db2.gz BBGONTZCRHBARF-UHFFFAOYSA-N 1 0 491.636 4.785 50 0 JJAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020384940 524264007 /nfs/dbraw/zinc/26/40/07/524264007.db2.gz OZCPLPBADQXTHF-UHFFFAOYSA-N 1 0 493.677 4.591 50 0 JJAARO C[C@H](CNC(=O)Cc1ccsc1)Oc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014982612 524389035 /nfs/dbraw/zinc/38/90/35/524389035.db2.gz UEKGJACVBQFIBV-HXUWFJFHSA-N 1 0 484.065 4.850 50 0 JJAARO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COC(C)C)C2CC2)c(-c2ccccc2)nn1C ZINC000036305827 524695412 /nfs/dbraw/zinc/69/54/12/524695412.db2.gz OSMJARFQOUIRQG-JOCHJYFZSA-N 1 0 465.594 4.638 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000033126136 524734750 /nfs/dbraw/zinc/73/47/50/524734750.db2.gz WKCBHYTXGUTOOH-HSZRJFAPSA-N 1 0 465.041 4.878 50 0 JJAARO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114943 524927239 /nfs/dbraw/zinc/92/72/39/524927239.db2.gz AQWYUQYBRCWWOR-HSZRJFAPSA-N 1 0 499.080 4.711 50 0 JJAARO Cc1cc(N2CCC(C(=O)NCC[C@H](C)[NH+]3CCCC3)CC2)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000033274958 525052967 /nfs/dbraw/zinc/05/29/67/525052967.db2.gz BWUWDZSJWRXDLH-FQEVSTJZSA-N 1 0 495.071 4.565 50 0 JJAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](O)Cc2ccccc2)C(C)C)cc1 ZINC000036309538 525441836 /nfs/dbraw/zinc/44/18/36/525441836.db2.gz KSMMBAGXRONPML-SQHAQQRYSA-N 1 0 492.685 4.875 50 0 JJAARO CSCCC[NH2+][C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000014980040 525481538 /nfs/dbraw/zinc/48/15/38/525481538.db2.gz CCBHGJIFOLWXLV-MRXNPFEDSA-N 1 0 467.582 4.725 50 0 JJAARO Cc1c(C(=O)N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000014994631 525571801 /nfs/dbraw/zinc/57/18/01/525571801.db2.gz MTQKULWDILWVFL-NRFANRHFSA-N 1 0 497.709 4.611 50 0 JJAARO Cc1c(C[NH+]2CCC([C@H](Cc3ccccc3F)N(C)C(=O)c3cccs3)CC2)cnn1C ZINC000012455718 525704856 /nfs/dbraw/zinc/70/48/56/525704856.db2.gz JFGYNGNWJLXUOU-QHCPKHFHSA-N 1 0 454.615 4.525 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000012246756 525748079 /nfs/dbraw/zinc/74/80/79/525748079.db2.gz OUBUDYXVHNVFHV-XMMPIXPASA-N 1 0 464.635 4.927 50 0 JJAARO COc1cccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CC[NH+](C(C)C)CC3)c1 ZINC000020436154 525795192 /nfs/dbraw/zinc/79/51/92/525795192.db2.gz OGINPTSNLLBCAB-UHFFFAOYSA-N 1 0 456.011 4.822 50 0 JJAARO Cc1ccsc1C[NH+]1CCC(O)(c2ccc3oc(C(=O)N(C)CCc4ccccn4)cc3c2)CC1 ZINC000012454813 525845666 /nfs/dbraw/zinc/84/56/66/525845666.db2.gz MMBFBZPBKTZRSU-UHFFFAOYSA-N 1 0 489.641 4.996 50 0 JJAARO COc1cccc(C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146337 525924111 /nfs/dbraw/zinc/92/41/11/525924111.db2.gz SJVYFFQUYBHHCH-AOYPEHQESA-N 1 0 464.993 4.947 50 0 JJAARO Cc1cnc(-n2ncc(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2C2CC2)nc1-c1cccs1 ZINC000014989590 525964307 /nfs/dbraw/zinc/96/43/07/525964307.db2.gz FOPIKYIOQXRADI-JOCHJYFZSA-N 1 0 498.656 4.971 50 0 JJAARO Cc1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c(C)n1-c1ccc(N2CCC(C)CC2)nc1 ZINC000033277387 526266384 /nfs/dbraw/zinc/26/63/84/526266384.db2.gz UHLQWLCRSBKXEF-UHFFFAOYSA-N 1 0 485.676 4.904 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145885 526285238 /nfs/dbraw/zinc/28/52/38/526285238.db2.gz XPYLENWWPXBGDT-UIOOFZCWSA-N 1 0 464.993 4.913 50 0 JJAARO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145958 526285865 /nfs/dbraw/zinc/28/58/65/526285865.db2.gz GPYJUVQIMRCONY-UIOOFZCWSA-N 1 0 464.993 4.913 50 0 JJAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]Cc3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000012247491 526358580 /nfs/dbraw/zinc/35/85/80/526358580.db2.gz OKSIXHWSFGSJDF-UHFFFAOYSA-N 1 0 458.610 4.749 50 0 JJAARO O=C(NCCc1ccccc1F)c1cc2cc(C3(O)CC[NH+](Cc4ccoc4)CC3)ccc2o1 ZINC000014988753 526431234 /nfs/dbraw/zinc/43/12/34/526431234.db2.gz IYROSVYOBGQVLB-UHFFFAOYSA-N 1 0 462.521 4.621 50 0 JJAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)O1)c1ccco1 ZINC000012244144 526503361 /nfs/dbraw/zinc/50/33/61/526503361.db2.gz RPBPKYOQCSUASV-VWLOTQADSA-N 1 0 460.574 4.802 50 0 JJAARO c1cncc(C[NH+]2CCC(c3nnc(SCC4CCCCC4)n3C[C@H]3CCCO3)CC2)c1 ZINC000014977440 526545844 /nfs/dbraw/zinc/54/58/44/526545844.db2.gz CACYGGZPZHIYPA-HSZRJFAPSA-N 1 0 455.672 4.904 50 0 JJAARO O=C(C[N@H+](C[C@H](O)c1ccccc1)CC1CC1)N1CCc2sccc2[C@@H]1COc1ccccc1 ZINC000036309072 526697895 /nfs/dbraw/zinc/69/78/95/526697895.db2.gz DJZUXWJSBLCUER-UIOOFZCWSA-N 1 0 476.642 4.699 50 0 JJAARO Cc1nc(C[N@@H+](C)[C@H]2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)cs1 ZINC000014978491 526846021 /nfs/dbraw/zinc/84/60/21/526846021.db2.gz AQEJIAGSHMLCEQ-IBGZPJMESA-N 1 0 462.644 4.552 50 0 JJAARO O=C(c1ccsc1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014973652 526862789 /nfs/dbraw/zinc/86/27/89/526862789.db2.gz CYYQKIOTTDSUPE-UHFFFAOYSA-N 1 0 462.615 4.964 50 0 JJAARO Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000046141475 526864098 /nfs/dbraw/zinc/86/40/98/526864098.db2.gz DHRBSUBDYDAKBS-UHFFFAOYSA-N 1 0 481.043 4.581 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](CCCc3ccccc3)CC2)N1Cc1ccccc1 ZINC000014533201 527039589 /nfs/dbraw/zinc/03/95/89/527039589.db2.gz QLLHKYCZBXKOGC-UHFFFAOYSA-N 1 0 468.601 4.513 50 0 JJAARO Cn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000022804842 527056628 /nfs/dbraw/zinc/05/66/28/527056628.db2.gz QLQABYKDDNERQK-UHFFFAOYSA-N 1 0 474.008 4.797 50 0 JJAARO O=C1N[C@@](Cc2ccc(F)cc2)(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C(=O)N1C1CCCC1 ZINC000014878685 527084736 /nfs/dbraw/zinc/08/47/36/527084736.db2.gz XXLKDWPTIYCLTG-MHZLTWQESA-N 1 0 485.550 4.792 50 0 JJAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014754777 527272129 /nfs/dbraw/zinc/27/21/29/527272129.db2.gz ABQLUWSEBUIUID-URLMMPGGSA-N 1 0 495.667 4.654 50 0 JJAARO O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008602175 527348211 /nfs/dbraw/zinc/34/82/11/527348211.db2.gz OLEZBMMHSIBJBS-UHFFFAOYSA-N 1 0 476.621 4.837 50 0 JJAARO Nc1c2c(nn1-c1cccc(F)c1)nc(NCC[NH+]1CCCCC1)nc2-c1ccc(Cl)cc1 ZINC000037358454 527437519 /nfs/dbraw/zinc/43/75/19/527437519.db2.gz YKUWAUVYRNZNFD-UHFFFAOYSA-N 1 0 465.964 4.755 50 0 JJAARO O=c1c2c(ncn1Cc1ccccn1)sc1c2CC[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000014888508 527457290 /nfs/dbraw/zinc/45/72/90/527457290.db2.gz AAHXTXLNJVREQF-MRXNPFEDSA-N 1 0 470.520 4.567 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146690 527658618 /nfs/dbraw/zinc/65/86/18/527658618.db2.gz XHCHISBQRNPHCJ-VWNXMTODSA-N 1 0 472.944 4.645 50 0 JJAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060354 527660008 /nfs/dbraw/zinc/66/00/08/527660008.db2.gz CGYKQKUYPLKRFT-UHFFFAOYSA-N 1 0 498.052 4.518 50 0 JJAARO COc1ccccc1CNC(=O)c1ccc(C)nc1C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000096281664 537046023 /nfs/dbraw/zinc/04/60/23/537046023.db2.gz IKGRDGVREFSAKJ-UHFFFAOYSA-N 1 0 459.590 4.717 50 0 JJAARO Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000000689394 553758646 /nfs/dbraw/zinc/75/86/46/553758646.db2.gz YXKZEYLDDJVWDV-NLRVBDNBSA-N 1 0 473.642 4.917 50 0 JJAARO COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(C)cc1 ZINC000002413679 554193573 /nfs/dbraw/zinc/19/35/73/554193573.db2.gz CLXPLGBTTGMABJ-MHZLTWQESA-N 1 0 498.579 4.796 50 0 JJAARO COc1ccc(-n2c(SCCC[NH3+])nnc2-c2ccc(Br)cc2)cc1Cl ZINC000002655135 554271164 /nfs/dbraw/zinc/27/11/64/554271164.db2.gz NWSSLXZIDCBNFV-UHFFFAOYSA-N 1 0 453.793 4.800 50 0 JJAARO C[NH+](C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccccc1 ZINC000002678712 554281211 /nfs/dbraw/zinc/28/12/11/554281211.db2.gz ANFNVNCLPDJCHR-QNGOZBTKSA-N 1 0 472.372 4.702 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000002890273 554408714 /nfs/dbraw/zinc/40/87/14/554408714.db2.gz DYNVRHPCEHUSAO-OAQYLSRUSA-N 1 0 487.369 4.972 50 0 JJAARO CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000002890264 554408737 /nfs/dbraw/zinc/40/87/37/554408737.db2.gz MRZRCRFQJOQYGX-JOCHJYFZSA-N 1 0 499.405 4.841 50 0 JJAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000002890377 554409051 /nfs/dbraw/zinc/40/90/51/554409051.db2.gz KYEFJMVVDOHPQL-OAQYLSRUSA-N 1 0 469.379 4.751 50 0 JJAARO CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)C[NH2+]Cc3ccccc3)cc21 ZINC000008397043 554571918 /nfs/dbraw/zinc/57/19/18/554571918.db2.gz JYDFCPKCKYZYRH-DEOSSOPVSA-N 1 0 472.585 4.704 50 0 JJAARO CCC(=O)OC1=NN(c2ccc(C)cc2)/C(=C/C2=[NH+]CCc3cc(OC)c(OC)cc32)S1 ZINC000008438078 554589004 /nfs/dbraw/zinc/58/90/04/554589004.db2.gz KVVBPSFJSCPPPP-HMAPJEAMSA-N 1 0 451.548 4.676 50 0 JJAARO Cc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1 ZINC000008913539 554806067 /nfs/dbraw/zinc/80/60/67/554806067.db2.gz IKDZHSKRJYQSOQ-UHFFFAOYSA-N 1 0 485.657 4.906 50 0 JJAARO Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009132358 554931577 /nfs/dbraw/zinc/93/15/77/554931577.db2.gz CUTXVWNJLZGDBB-QFIPXVFZSA-N 1 0 474.630 4.514 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3cccnc32)cc1 ZINC000009151268 554937893 /nfs/dbraw/zinc/93/78/93/554937893.db2.gz CLFNZSAGGLNSTA-DEOSSOPVSA-N 1 0 485.657 4.986 50 0 JJAARO C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)ccc2N1C(=O)C1CCC1 ZINC000009152552 554940729 /nfs/dbraw/zinc/94/07/29/554940729.db2.gz NRMWTNWUGGHHSF-FQEVSTJZSA-N 1 0 481.662 4.797 50 0 JJAARO CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)c(=O)c21 ZINC000009153443 554943200 /nfs/dbraw/zinc/94/32/00/554943200.db2.gz OVHUCUHVYDSKME-UHFFFAOYSA-N 1 0 471.605 4.632 50 0 JJAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)COc5cccc(C)c5)ccc4n3C)CC2)cc1 ZINC000009243667 555018760 /nfs/dbraw/zinc/01/87/60/555018760.db2.gz ITUCDCGSISNLKN-UHFFFAOYSA-N 1 0 497.643 4.572 50 0 JJAARO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1 ZINC000009251627 555026004 /nfs/dbraw/zinc/02/60/04/555026004.db2.gz QLYXODHKIPLFKH-UHFFFAOYSA-N 1 0 497.599 4.690 50 0 JJAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)CC1 ZINC000009265291 555041035 /nfs/dbraw/zinc/04/10/35/555041035.db2.gz VESYUFLWAOYJOK-UHFFFAOYSA-N 1 0 477.605 4.957 50 0 JJAARO COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000009265386 555041331 /nfs/dbraw/zinc/04/13/31/555041331.db2.gz ASRBZXFGXAMYEJ-UHFFFAOYSA-N 1 0 491.588 4.549 50 0 JJAARO C[C@@H]1CN(C(=O)CCC(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1 ZINC000009286950 555060439 /nfs/dbraw/zinc/06/04/39/555060439.db2.gz QRFXWUZQZNSJDZ-OAQYLSRUSA-N 1 0 498.067 4.695 50 0 JJAARO COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1OC ZINC000009344866 555110388 /nfs/dbraw/zinc/11/03/88/555110388.db2.gz XNJLZUVTTLNRHS-RSXGOPAZSA-N 1 0 452.514 4.816 50 0 JJAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433057 555202859 /nfs/dbraw/zinc/20/28/59/555202859.db2.gz MQPFAXFHUBINJK-DNQXCXABSA-N 1 0 455.668 4.923 50 0 JJAARO CCC[NH+](CCC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009433059 555202879 /nfs/dbraw/zinc/20/28/79/555202879.db2.gz URZNCFYXTKCGKL-DNQXCXABSA-N 1 0 455.668 4.923 50 0 JJAARO O=c1c(Cl)c(NC[C@H](c2ccccc2)[NH+]2CCCC2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000009471102 555254540 /nfs/dbraw/zinc/25/45/40/555254540.db2.gz VVUCCBINIWLZGW-GOSISDBHSA-N 1 0 463.891 4.549 50 0 JJAARO CC[NH+](CC)CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2ccc(Br)cc2s1 ZINC000009520990 555318880 /nfs/dbraw/zinc/31/88/80/555318880.db2.gz YVCNTGAOCSBHLG-UHFFFAOYSA-N 1 0 490.423 4.705 50 0 JJAARO O=C(C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000009635975 555343498 /nfs/dbraw/zinc/34/34/98/555343498.db2.gz LRWASFQFPRNMMH-UHFFFAOYSA-N 1 0 469.629 4.826 50 0 JJAARO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCCC1)Nc1ccc(F)cc1 ZINC000009665140 555375549 /nfs/dbraw/zinc/37/55/49/555375549.db2.gz OWSNWQUZXYTZDD-UHFFFAOYSA-N 1 0 496.633 4.967 50 0 JJAARO Cc1sc2ncnc(SCC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)c2c1C ZINC000009666705 555379900 /nfs/dbraw/zinc/37/99/00/555379900.db2.gz OVAJNXQYQDLRCP-UHFFFAOYSA-N 1 0 461.056 4.834 50 0 JJAARO CC1(C)CC(NC(=O)Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)CC(C)(C)[NH2+]1 ZINC000009670140 555386316 /nfs/dbraw/zinc/38/63/16/555386316.db2.gz WMEPATITMXGFLR-UHFFFAOYSA-N 1 0 498.476 4.762 50 0 JJAARO O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000009686377 555414855 /nfs/dbraw/zinc/41/48/55/555414855.db2.gz YMMNUEDNKOPAOU-UHFFFAOYSA-N 1 0 493.652 4.589 50 0 JJAARO Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009609688 555438350 /nfs/dbraw/zinc/43/83/50/555438350.db2.gz ZKAKGKWQMARJCH-UHFFFAOYSA-N 1 0 485.607 4.866 50 0 JJAARO CCCCc1ccc(NC(=O)CSc2nc(=O)n(CC[NH+](CC)CC)c3c2CCCC3)cc1 ZINC000009747201 555478990 /nfs/dbraw/zinc/47/89/90/555478990.db2.gz NQJAPIPSIMWFCA-UHFFFAOYSA-N 1 0 470.683 4.537 50 0 JJAARO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH2+]C3CCCC3)cc21 ZINC000009805976 555518583 /nfs/dbraw/zinc/51/85/83/555518583.db2.gz DGABMSMRPULNRM-QFIPXVFZSA-N 1 0 450.579 4.696 50 0 JJAARO Clc1cccc(N2CC[NH+](CCCNc3nc4ccccc4c4nc(-c5ccncc5)nn43)CC2)c1 ZINC000009831088 555532484 /nfs/dbraw/zinc/53/24/84/555532484.db2.gz DXRSRNVTJFPOFG-UHFFFAOYSA-N 1 0 499.022 4.617 50 0 JJAARO Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC[NH+]3[C@H](C)CCC[C@H]3C)n2n1 ZINC000009831127 555532600 /nfs/dbraw/zinc/53/26/00/555532600.db2.gz ZUXIYCIFFZQHLX-WOJBJXKFSA-N 1 0 482.636 4.853 50 0 JJAARO CC[C@@H](C)[N@H+](CCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)C1CCCCC1 ZINC000009847831 555549664 /nfs/dbraw/zinc/54/96/64/555549664.db2.gz BRSVDZSBCXWDIL-LJQANCHMSA-N 1 0 472.699 4.641 50 0 JJAARO CCOc1ccc2nc(N3CCC[C@@H](C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)sc2c1 ZINC000009848104 555549919 /nfs/dbraw/zinc/54/99/19/555549919.db2.gz DEWXJECCBVUXPP-OAQYLSRUSA-N 1 0 478.662 4.692 50 0 JJAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4CCc5ccccc5C4)C3)nc2c(C)c1 ZINC000009848388 555550539 /nfs/dbraw/zinc/55/05/39/555550539.db2.gz HRXSLMUGGRPHJD-HSZRJFAPSA-N 1 0 462.663 4.694 50 0 JJAARO C[N@@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccccc2I)c2ccccc21 ZINC000013672830 555564230 /nfs/dbraw/zinc/56/42/30/555564230.db2.gz KSLCYQTUSSEGPT-INIZCTEOSA-N 1 0 458.343 4.961 50 0 in-vitro JJAARO CC[N@H+](CCCNC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12)Cc1ccccc1 ZINC000010013251 555594189 /nfs/dbraw/zinc/59/41/89/555594189.db2.gz BDAWIQPZYLCTBN-UHFFFAOYSA-N 1 0 475.539 4.911 50 0 JJAARO Cc1cc2c(-c3ccccc3)c(-c3ccccc3)n(C[C@@H](O)C[NH+]3CCN(CCO)CC3)c2c(C)c1 ZINC000020031674 555606835 /nfs/dbraw/zinc/60/68/35/555606835.db2.gz AZIGWLHAHSFDBH-MHZLTWQESA-N 1 0 483.656 4.563 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCCO3 ZINC000010066922 555614037 /nfs/dbraw/zinc/61/40/37/555614037.db2.gz RPSRBFVGSWHYFI-UHFFFAOYSA-N 1 0 452.001 4.771 50 0 JJAARO Cc1cccc(N2CC[N@@H+](CCCNC(=O)c3sc4ncccc4c3-n3cccc3)C[C@H]2C)c1 ZINC000013810618 555625883 /nfs/dbraw/zinc/62/58/83/555625883.db2.gz DWZLFMLFRFUUHZ-OAQYLSRUSA-N 1 0 473.646 4.726 50 0 JJAARO COc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)c(OC)c1 ZINC000013811162 555627246 /nfs/dbraw/zinc/62/72/46/555627246.db2.gz SYZFTMVIQFPUPS-LOSJGSFVSA-N 1 0 456.477 4.647 50 0 JJAARO CCC1=Nc2cc(C(=O)NCCCN3CC[NH+](CC)CC3)ccc2Sc2ccc(C)cc21 ZINC000020178993 555684396 /nfs/dbraw/zinc/68/43/96/555684396.db2.gz GRFYQLCRTTXONL-UHFFFAOYSA-N 1 0 450.652 4.748 50 0 JJAARO COC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1OC ZINC000014092954 555685646 /nfs/dbraw/zinc/68/56/46/555685646.db2.gz HNEGAGMLSGLAAK-NRFANRHFSA-N 1 0 457.611 4.725 50 0 JJAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000014094511 555686737 /nfs/dbraw/zinc/68/67/37/555686737.db2.gz SRJFXOSQAZPGLA-HNNXBMFYSA-N 1 0 451.910 4.610 50 0 JJAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000020181298 555688317 /nfs/dbraw/zinc/68/83/17/555688317.db2.gz LNPLFNCMRKJJHI-XPWNEEOKSA-N 1 0 477.674 4.959 50 0 JJAARO CC(C)[C@@H]([NH2+]CC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCCO2 ZINC000014142367 555707888 /nfs/dbraw/zinc/70/78/88/555707888.db2.gz MGKSZIRKOMDPND-RUZDIDTESA-N 1 0 465.619 4.760 50 0 JJAARO O[C@H](CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000020218798 555712717 /nfs/dbraw/zinc/71/27/17/555712717.db2.gz PCJGPMGDUSSPRY-XMMPIXPASA-N 1 0 451.408 4.890 50 0 JJAARO COc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1OCc1c(C)noc1C ZINC000010456506 555717304 /nfs/dbraw/zinc/71/73/04/555717304.db2.gz NWABZMYVEZRNFE-UHFFFAOYSA-N 1 0 463.578 4.795 50 0 JJAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000020233669 555724567 /nfs/dbraw/zinc/72/45/67/555724567.db2.gz VTRMGWCMUAFSQP-GOSISDBHSA-N 1 0 470.639 4.703 50 0 JJAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)c(C)o2)cc1OC ZINC000020240684 555735798 /nfs/dbraw/zinc/73/57/98/555735798.db2.gz QAFWTMVPHMCDJW-UHFFFAOYSA-N 1 0 483.996 4.849 50 0 JJAARO COc1ccc2c(c1)c([C@@H](O)C[NH+]1CCN(c3ccccc3)CC1)c(C)n2Cc1ccccc1 ZINC000020267558 555748643 /nfs/dbraw/zinc/74/86/43/555748643.db2.gz YXQCMTVGQGWUAK-NDEPHWFRSA-N 1 0 455.602 4.862 50 0 JJAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)nc1c(c2Cl)CCCC1 ZINC000020286833 555755443 /nfs/dbraw/zinc/75/54/43/555755443.db2.gz RVRPCBBPNRKVLD-UHFFFAOYSA-N 1 0 477.052 4.705 50 0 JJAARO CC[C@@H](NC(=O)Nc1cc(OC)ccc1OC)c1c2c(sc1-n1cccc1)C[N@@H+](C)CC2 ZINC000020532127 555800006 /nfs/dbraw/zinc/80/00/06/555800006.db2.gz LNRDCZGUWQXODE-GOSISDBHSA-N 1 0 454.596 4.817 50 0 JJAARO CC[N@@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000020532245 555801369 /nfs/dbraw/zinc/80/13/69/555801369.db2.gz KCBCOSNJWLDXHJ-MRXNPFEDSA-N 1 0 454.596 4.817 50 0 JJAARO COc1ccc([C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)N2Cc3ccccc3C2=O)cc1 ZINC000020560703 555811258 /nfs/dbraw/zinc/81/12/58/555811258.db2.gz KFUXEDAEMFTPIY-MUUNZHRXSA-N 1 0 483.612 4.563 50 0 JJAARO O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](C/C=C/c3ccccc3)CC2)N1Cc1ccccc1 ZINC000014531576 555818997 /nfs/dbraw/zinc/81/89/97/555818997.db2.gz AHVDUNRKJMAXEW-NTEUORMPSA-N 1 0 466.585 4.594 50 0 JJAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4ccc(C)cc4)CC3)C2=O)c1 ZINC000014532328 555819960 /nfs/dbraw/zinc/81/99/60/555819960.db2.gz ANEKIIDXIUEJQN-UHFFFAOYSA-N 1 0 463.622 4.849 50 0 JJAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014532655 555820677 /nfs/dbraw/zinc/82/06/77/555820677.db2.gz HRWGJVGZPOUPII-UHFFFAOYSA-N 1 0 465.597 4.729 50 0 JJAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccc(OC)cc2)C(=O)N3CC(C)C)cc1 ZINC000014533477 555821597 /nfs/dbraw/zinc/82/15/97/555821597.db2.gz QSJSCJCKTZJSRQ-UHFFFAOYSA-N 1 0 463.622 4.713 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccccc1C)CC2 ZINC000014533423 555821748 /nfs/dbraw/zinc/82/17/48/555821748.db2.gz GLVVORIEAJXPNG-UHFFFAOYSA-N 1 0 485.628 4.984 50 0 JJAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cc(C(F)(F)F)ccc1F ZINC000011788994 555823555 /nfs/dbraw/zinc/82/35/55/555823555.db2.gz DIGDXOGCZTYQIB-MRXNPFEDSA-N 1 0 472.866 4.898 50 0 JJAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014535882 555824965 /nfs/dbraw/zinc/82/49/65/555824965.db2.gz AXNSCLFPTWTRQO-UHFFFAOYSA-N 1 0 471.601 4.675 50 0 JJAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]C[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 ZINC000011790367 555826037 /nfs/dbraw/zinc/82/60/37/555826037.db2.gz OJVSDPUHKBZBMY-VWLOTQADSA-N 1 0 498.675 4.523 50 0 JJAARO COc1ccc(CC[C@H](C)[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccsc3)C4=O)CC2)cc1 ZINC000011790441 555826317 /nfs/dbraw/zinc/82/63/17/555826317.db2.gz YGSFBCHAGBXAOP-FQEVSTJZSA-N 1 0 489.641 4.696 50 0 JJAARO O=C(c1ccc(Cl)cc1)N1CCOc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2C1 ZINC000011791117 555827543 /nfs/dbraw/zinc/82/75/43/555827543.db2.gz AQLNBVPYQIPCNH-UHFFFAOYSA-N 1 0 461.993 4.697 50 0 JJAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc(-c4cccc(Cl)c4)o3)CC2)O1)c1cccnc1 ZINC000011838590 555831931 /nfs/dbraw/zinc/83/19/31/555831931.db2.gz VFINPSFSRJPKMD-QFIPXVFZSA-N 1 0 465.981 4.939 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2cccs2)[C@@H]3OC)c(OC)c1 ZINC000011838989 555832181 /nfs/dbraw/zinc/83/21/81/555832181.db2.gz YGFZCZBSEMRJQT-FTJBHMTQSA-N 1 0 492.641 4.799 50 0 JJAARO COc1cccc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)c1OC ZINC000011841379 555833876 /nfs/dbraw/zinc/83/38/76/555833876.db2.gz VNUVPGZGJDXCQC-DEOSSOPVSA-N 1 0 462.634 4.934 50 0 JJAARO CC[N@H+](CCCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)Cc1ccccc1 ZINC000020597648 555839366 /nfs/dbraw/zinc/83/93/66/555839366.db2.gz DQQFATLEWJYFSM-UHFFFAOYSA-N 1 0 463.647 4.894 50 0 JJAARO O=C([C@H]1Cc2ccccc2O1)N1CCOc2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000015000143 555844703 /nfs/dbraw/zinc/84/47/03/555844703.db2.gz VFOAPHPLTAJVND-SSEXGKCCSA-N 1 0 498.623 4.593 50 0 JJAARO O=C([C@@H]1CC12CC[NH+](Cc1cccc3ccccc31)CC2)N1CCN(Cc2ccccc2)CC1 ZINC000011869279 555845687 /nfs/dbraw/zinc/84/56/87/555845687.db2.gz FKAZEAYJCVQSSP-NDEPHWFRSA-N 1 0 453.630 4.786 50 0 JJAARO Cc1nc([C@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccc(F)cc2F)C4)cs1 ZINC000015004563 555849508 /nfs/dbraw/zinc/84/95/08/555849508.db2.gz ZHIJBSHSMYNHFS-BLLLJJGKSA-N 1 0 472.586 4.758 50 0 JJAARO CCc1c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(=O)cc(C)n1Cc1cccs1 ZINC000011881988 555850261 /nfs/dbraw/zinc/85/02/61/555850261.db2.gz OWXQEEBETCZCFP-UHFFFAOYSA-N 1 0 479.690 4.556 50 0 JJAARO COc1cccc(C[NH2+]C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c1OC ZINC000015006831 555851219 /nfs/dbraw/zinc/85/12/19/555851219.db2.gz RRCWLXWLWQIDFX-OAQYLSRUSA-N 1 0 473.617 4.953 50 0 JJAARO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)N(C)Cc1cccc(F)c1)C(C)C ZINC000022043529 555865869 /nfs/dbraw/zinc/86/58/69/555865869.db2.gz OVUPRHBDHIUTPA-FQEVSTJZSA-N 1 0 498.668 4.794 50 0 JJAARO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(C(=O)C2CCC2)C3)s1 ZINC000011965311 555871615 /nfs/dbraw/zinc/87/16/15/555871615.db2.gz WEACPQHCSKGHJA-IBGZPJMESA-N 1 0 454.636 4.965 50 0 JJAARO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccco2)[C@@H]3OC)c(C)c1C ZINC000012034675 555888275 /nfs/dbraw/zinc/88/82/75/555888275.db2.gz BEUWTDFSNSXXCH-SXOMAYOGSA-N 1 0 474.601 4.939 50 0 JJAARO C[C@H](C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCc4ccncc4)cc3c2)CC1)c1ccccc1 ZINC000012038740 555891644 /nfs/dbraw/zinc/89/16/44/555891644.db2.gz JCONUNUAAJKBNF-OAQYLSRUSA-N 1 0 469.585 4.845 50 0 JJAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n2c1C[C@@H](c1cccs1)Sc1ccccc1-2 ZINC000012039187 555891952 /nfs/dbraw/zinc/89/19/52/555891952.db2.gz GZQIVYVSTZMHSP-UUOWRZLLSA-N 1 0 479.671 4.811 50 0 JJAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041109 555893774 /nfs/dbraw/zinc/89/37/74/555893774.db2.gz GXTLJHFHZIEEMN-QHCPKHFHSA-N 1 0 479.628 4.813 50 0 JJAARO CC(C)[C@H](NC(=O)c1ccoc1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012041584 555894101 /nfs/dbraw/zinc/89/41/01/555894101.db2.gz HBOIQOVVUZHOSH-SANMLTNESA-N 1 0 469.589 4.724 50 0 JJAARO CC[NH+](CC)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000012054494 555897947 /nfs/dbraw/zinc/89/79/47/555897947.db2.gz KAHCLBFBBUMKEP-ZRCGQRJVSA-N 1 0 462.590 4.631 50 0 JJAARO CC(C)[NH+](CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2ccccc2c1=O)C(C)C ZINC000022299887 555918799 /nfs/dbraw/zinc/91/87/99/555918799.db2.gz DQMXDFMGSTWCRO-LJQANCHMSA-N 1 0 452.624 4.635 50 0 JJAARO Cn1c(CCNC(=O)[C@H]2CC23CC[NH+](Cc2cnc(-c4ccccc4)s2)CC3)nc2ccccc21 ZINC000012151393 555924236 /nfs/dbraw/zinc/92/42/36/555924236.db2.gz RSULDLIYOOSWTN-JOCHJYFZSA-N 1 0 485.657 4.658 50 0 JJAARO COc1cccc(-n2c(SC[C@H]3CCCO3)nnc2C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000012151858 555925178 /nfs/dbraw/zinc/92/51/78/555925178.db2.gz ZMVOVQUFEXMBNH-OAQYLSRUSA-N 1 0 470.664 4.988 50 0 JJAARO O=C(c1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCCCC3)CC2)cc1)N1CCC[C@H](O)C1 ZINC000012151973 555925504 /nfs/dbraw/zinc/92/55/04/555925504.db2.gz YMVFNWUUUZIRJQ-NDEPHWFRSA-N 1 0 475.677 4.744 50 0 JJAARO CC(C)c1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccsc3)C4=O)CC2)cc1 ZINC000012154532 555927548 /nfs/dbraw/zinc/92/75/48/555927548.db2.gz YLSISGQTSFMCSK-UHFFFAOYSA-N 1 0 459.615 4.990 50 0 JJAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000012156552 555928724 /nfs/dbraw/zinc/92/87/24/555928724.db2.gz CXDFLKOKCHCLSX-INIZCTEOSA-N 1 0 470.875 4.638 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675663 555934170 /nfs/dbraw/zinc/93/41/70/555934170.db2.gz GKBKIBXVZWPMNX-HHHXNRCGSA-N 1 0 470.658 4.800 50 0 JJAARO CCCC[N@H+](CC)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015675661 555934250 /nfs/dbraw/zinc/93/42/50/555934250.db2.gz GKBKIBXVZWPMNX-MHZLTWQESA-N 1 0 470.658 4.800 50 0 JJAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCCC2)N(CCC[NH+]2CCCCC2)C3=O)o1 ZINC000015675838 555934769 /nfs/dbraw/zinc/93/47/69/555934769.db2.gz OFQRFBIHFAUGMS-MUUNZHRXSA-N 1 0 482.669 4.862 50 0 JJAARO C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1CCC[NH+]1CCCCCC1 ZINC000015675863 555935023 /nfs/dbraw/zinc/93/50/23/555935023.db2.gz JXPMOZMALIWUKH-MHZLTWQESA-N 1 0 468.642 4.554 50 0 JJAARO O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000012242815 555945852 /nfs/dbraw/zinc/94/58/52/555945852.db2.gz AURCMQDVAXSOLR-UHFFFAOYSA-N 1 0 453.508 4.793 50 0 JJAARO COc1cccc(CC[NH2+]C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c1 ZINC000012242889 555945883 /nfs/dbraw/zinc/94/58/83/555945883.db2.gz MJIIRRTYDUXEIQ-JOCHJYFZSA-N 1 0 457.618 4.987 50 0 JJAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015681435 555950300 /nfs/dbraw/zinc/95/03/00/555950300.db2.gz NUHJXVSCIYMNTJ-UHFFFAOYSA-N 1 0 453.590 4.674 50 0 JJAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Nc3cn(CC(C)C)c(=O)c4ccccc34)CC2)c1 ZINC000015727125 555966202 /nfs/dbraw/zinc/96/62/02/555966202.db2.gz ZBQFRPSKFKKQMA-UHFFFAOYSA-N 1 0 489.664 4.608 50 0 JJAARO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000012383486 555971564 /nfs/dbraw/zinc/97/15/64/555971564.db2.gz RJEIESQXKZBDRY-INIZCTEOSA-N 1 0 453.384 4.664 50 0 JJAARO CC[N@H+](CCCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1)Cc1ccccc1 ZINC000015733405 555978403 /nfs/dbraw/zinc/97/84/03/555978403.db2.gz QFZQYHLKODJSLB-UHFFFAOYSA-N 1 0 470.573 4.811 50 0 JJAARO C[N@H+](C1CCCCC1)C1CCN(C(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000015734897 555980749 /nfs/dbraw/zinc/98/07/49/555980749.db2.gz PPLMYWPWBOIZQA-UHFFFAOYSA-N 1 0 467.683 4.677 50 0 JJAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000022936222 555988536 /nfs/dbraw/zinc/98/85/36/555988536.db2.gz QNPNQFHWWAOAIP-UHFFFAOYSA-N 1 0 477.653 4.509 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3c(C)nn(-c4ccc(C)cc4)c3-n3cccc3)cc2)CC1 ZINC000022936547 555989447 /nfs/dbraw/zinc/98/94/47/555989447.db2.gz WENLQEILFUDIQM-UHFFFAOYSA-N 1 0 482.632 4.670 50 0 JJAARO Cc1oc(-c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc2)nc1CSc1ccc(C)cc1 ZINC000022936582 555989469 /nfs/dbraw/zinc/98/94/69/555989469.db2.gz JEGPWIKWWOCVPC-UHFFFAOYSA-N 1 0 478.662 4.618 50 0 JJAARO CC[NH+]1CCN(Cc2ccc(NC(=O)COc3ccccc3-c3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000022937406 555990668 /nfs/dbraw/zinc/99/06/68/555990668.db2.gz YHKPKRQELPVTAU-UHFFFAOYSA-N 1 0 497.599 4.559 50 0 JJAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3Cc4ccccc4N3C(=O)c3ccccc3)CC2)cc1 ZINC000015773987 555992454 /nfs/dbraw/zinc/99/24/54/555992454.db2.gz JROVANCXXRGQHJ-NDEPHWFRSA-N 1 0 467.613 4.595 50 0 JJAARO CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023054966 556002823 /nfs/dbraw/zinc/00/28/23/556002823.db2.gz DHWJMJLZUUMISF-JOCHJYFZSA-N 1 0 494.488 4.626 50 0 JJAARO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccs1 ZINC000023079750 556006362 /nfs/dbraw/zinc/00/63/62/556006362.db2.gz HDYHWIPEANFWNZ-JWQCQUIFSA-N 1 0 486.641 4.524 50 0 JJAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000012537787 556010814 /nfs/dbraw/zinc/01/08/14/556010814.db2.gz ZDSCBOKOOZPOGC-RUZDIDTESA-N 1 0 470.535 4.995 50 0 JJAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000023360369 556049001 /nfs/dbraw/zinc/04/90/01/556049001.db2.gz NQPPGZPCKVSMEB-UHFFFAOYSA-N 1 0 499.630 4.935 50 0 JJAARO C[C@@H](c1cccs1)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000023374600 556050201 /nfs/dbraw/zinc/05/02/01/556050201.db2.gz LQKHTNMLNAJDGU-FQEVSTJZSA-N 1 0 481.637 4.900 50 0 JJAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012561470 556054724 /nfs/dbraw/zinc/05/47/24/556054724.db2.gz RUDIZNYMEXXZCX-JOCHJYFZSA-N 1 0 466.405 4.735 50 0 JJAARO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012567196 556065921 /nfs/dbraw/zinc/06/59/21/556065921.db2.gz MGTVUTWDETZWQY-LSDHHAIUSA-N 1 0 455.908 4.873 50 0 JJAARO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1OCc1ccccc1 ZINC000023740917 556086819 /nfs/dbraw/zinc/08/68/19/556086819.db2.gz WDNTUVUGYQJFIC-XMMPIXPASA-N 1 0 460.574 4.850 50 0 JJAARO COc1cccc([C@H](CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)[NH+](C)C)c1 ZINC000012922748 556141626 /nfs/dbraw/zinc/14/16/26/556141626.db2.gz XRSGMRIRLBCAHT-SANMLTNESA-N 1 0 454.574 4.640 50 0 JJAARO CCCn1c(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000024733915 556147361 /nfs/dbraw/zinc/14/73/61/556147361.db2.gz YJELPXSBJZEBQI-DEOSSOPVSA-N 1 0 476.646 4.770 50 0 JJAARO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)c1 ZINC000024925451 556163726 /nfs/dbraw/zinc/16/37/26/556163726.db2.gz APOJBLLFWAGOQP-UHFFFAOYSA-N 1 0 495.645 4.610 50 0 JJAARO COc1ccc([C@H](CNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000024966465 556165243 /nfs/dbraw/zinc/16/52/43/556165243.db2.gz DCPIKZOCFDPYIX-DEOSSOPVSA-N 1 0 491.661 4.589 50 0 JJAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000024968235 556165632 /nfs/dbraw/zinc/16/56/32/556165632.db2.gz RQAHLAKBYNTIJL-DEOSSOPVSA-N 1 0 484.021 4.708 50 0 JJAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012993054 556185130 /nfs/dbraw/zinc/18/51/30/556185130.db2.gz DWTDESRUKJMXCR-LJQANCHMSA-N 1 0 471.557 4.760 50 0 JJAARO Cc1cc(C(=O)NCC[C@@H]2CCC[N@H+]2C)nc2c1c(-c1ccccc1)nn2-c1cccc(F)c1 ZINC000025149109 556188756 /nfs/dbraw/zinc/18/87/56/556188756.db2.gz JZRCYJJNOYTVAW-NRFANRHFSA-N 1 0 457.553 4.749 50 0 JJAARO COCCn1c(C)cc(O)c([C@@H](c2cccc(OC)c2)[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000016993400 556197710 /nfs/dbraw/zinc/19/77/10/556197710.db2.gz CJUUSCZZOBUTPL-MUUNZHRXSA-N 1 0 476.617 4.561 50 0 JJAARO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000017027275 556206861 /nfs/dbraw/zinc/20/68/61/556206861.db2.gz UPLNUUSZLKHJQR-UHFFFAOYSA-N 1 0 450.586 4.581 50 0 JJAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000026406400 556253174 /nfs/dbraw/zinc/25/31/74/556253174.db2.gz SSFBHPAQYOPUOR-VWLOTQADSA-N 1 0 457.549 4.831 50 0 JJAARO Cc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000028048320 556313935 /nfs/dbraw/zinc/31/39/35/556313935.db2.gz PWJWDIFIDFUBPA-UHFFFAOYSA-N 1 0 466.629 4.781 50 0 JJAARO CC[NH+]1CCN(C2(CNC(=O)c3oc4cc(Br)ccc4c3C)CCCCC2)CC1 ZINC000028293706 556329641 /nfs/dbraw/zinc/32/96/41/556329641.db2.gz DIOHIQBPSIDAOW-UHFFFAOYSA-N 1 0 462.432 4.574 50 0 JJAARO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019798307 556375925 /nfs/dbraw/zinc/37/59/25/556375925.db2.gz MAIPPYUGJKSGIY-UHFFFAOYSA-N 1 0 469.585 4.831 50 0 JJAARO CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)[NH+]2CCCC2)cc1 ZINC000032622683 556452411 /nfs/dbraw/zinc/45/24/11/556452411.db2.gz LYHMIPZCLIZABF-QHCPKHFHSA-N 1 0 475.589 4.977 50 0 JJAARO C[NH+](C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000032622752 556452788 /nfs/dbraw/zinc/45/27/88/556452788.db2.gz GCOYRTRCUBRMCR-SANMLTNESA-N 1 0 468.553 4.869 50 0 JJAARO NC(=O)N[C@H](CC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1F ZINC000032809341 556498997 /nfs/dbraw/zinc/49/89/97/556498997.db2.gz FUGFYHCMWBCDAR-AREMUKBSSA-N 1 0 474.580 4.504 50 0 JJAARO CCC(=O)Nc1nc2ccc(CCC(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000032959483 556576325 /nfs/dbraw/zinc/57/63/25/556576325.db2.gz RHTHQDMWFNPUHQ-UHFFFAOYSA-N 1 0 478.662 4.648 50 0 JJAARO CCOC(=O)c1cccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000008590196 562942558 /nfs/dbraw/zinc/94/25/58/562942558.db2.gz DMDSURZRBVWVKZ-MRXNPFEDSA-N 1 0 452.580 4.586 50 0 JJAARO COc1ccccc1/C=C/C[NH+]1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2cc(C)nn2C)CC1 ZINC000011967383 562957961 /nfs/dbraw/zinc/95/79/61/562957961.db2.gz HIOZICHQWBIQJD-UBRULYAKSA-N 1 0 486.660 4.846 50 0 JJAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(Br)cc2)[NH+]2CCCCC2)cc1 ZINC000032969144 563109974 /nfs/dbraw/zinc/10/99/74/563109974.db2.gz NTFHALOPKOYXIS-JTSKRJEESA-N 1 0 461.400 4.568 50 0 JJAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000033023440 563110397 /nfs/dbraw/zinc/11/03/97/563110397.db2.gz QDEXQSCTPORRHN-UHFFFAOYSA-N 1 0 473.614 4.545 50 0 JJAARO COc1ccccc1CN1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000055060575 563205974 /nfs/dbraw/zinc/20/59/74/563205974.db2.gz NVVHITVKPHRZJD-UHFFFAOYSA-N 1 0 459.590 4.528 50 0 JJAARO CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1nc(C(C)C)cs1)CC2 ZINC000055042655 569590448 /nfs/dbraw/zinc/59/04/48/569590448.db2.gz MWASKZPALOKNOD-RPWUZVMVSA-N 1 0 465.619 4.893 50 0 JJAARO Cc1cccc(N2CC[NH+](Cc3cccc(OCCCNC(=O)[C@H]4CCOC(C)(C)C4)c3)CC2)c1C ZINC000055042199 569590526 /nfs/dbraw/zinc/59/05/26/569590526.db2.gz FEXHSILWBMMGFT-SANMLTNESA-N 1 0 493.692 4.716 50 0 JJAARO O=C(COc1ccc(Br)cc1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000055529249 569592063 /nfs/dbraw/zinc/59/20/63/569592063.db2.gz KMRCORDLQCRBTH-UHFFFAOYSA-N 1 0 480.406 4.789 50 0 JJAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1 ZINC000057251257 569594983 /nfs/dbraw/zinc/59/49/83/569594983.db2.gz DSOZHPKOBZOLCQ-UHFFFAOYSA-N 1 0 465.022 4.789 50 0 JJAARO Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)o2)cc1 ZINC000057270844 569595320 /nfs/dbraw/zinc/59/53/20/569595320.db2.gz CXCXJTLGJVFRMR-UHFFFAOYSA-N 1 0 481.600 4.939 50 0 JJAARO C[C@H]1Sc2ccc(C(=O)Nc3ccc(N4CC[NH+](Cc5ccccc5)CC4)cc3)cc2NC1=O ZINC000057270793 569595339 /nfs/dbraw/zinc/59/53/39/569595339.db2.gz WNSPXQGYZYCHAQ-LJQANCHMSA-N 1 0 472.614 4.694 50 0 JJAARO COc1ccc([C@H](CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2OC)[NH+](C)C)cc1 ZINC000008724727 569599841 /nfs/dbraw/zinc/59/98/41/569599841.db2.gz PSGXBOAVFUMEFE-VWLOTQADSA-N 1 0 470.573 4.589 50 0 JJAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1OC)O2 ZINC000032983793 569607014 /nfs/dbraw/zinc/60/70/14/569607014.db2.gz NOJNRTWNBHRMHU-RQFMOZSRSA-N 1 0 485.584 4.708 50 0 JJAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1OC)O2 ZINC000032983790 569607055 /nfs/dbraw/zinc/60/70/55/569607055.db2.gz NOJNRTWNBHRMHU-PKNRUHJYSA-N 1 0 485.584 4.708 50 0 JJAARO Cc1ccc(Cl)cc1N1CC[NH+](CCNc2nc3ccccc3c3nc(-c4cccnc4)nn32)CC1 ZINC000063494565 569615308 /nfs/dbraw/zinc/61/53/08/569615308.db2.gz CCGNXNJBWILOGE-UHFFFAOYSA-N 1 0 499.022 4.535 50 0 JJAARO Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(CCC[N@@H+](C)C2CCCCC2)C3=O)o1 ZINC000033331902 569624402 /nfs/dbraw/zinc/62/44/02/569624402.db2.gz LHIOUXQAHQYODN-MUUNZHRXSA-N 1 0 482.669 4.861 50 0 JJAARO O=C(COc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1)CC2)NC[C@@H]1CCCO1 ZINC000034671513 569640670 /nfs/dbraw/zinc/64/06/70/569640670.db2.gz QAGZJFUVNPAQSD-WNJJXGMVSA-N 1 0 456.586 4.508 50 0 JJAARO O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)NCC[NH+]1CCCC1 ZINC000034679720 569642772 /nfs/dbraw/zinc/64/27/72/569642772.db2.gz PKZOUTOKJJHUCF-UHFFFAOYSA-N 1 0 477.555 4.566 50 0 JJAARO Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000034680066 569643025 /nfs/dbraw/zinc/64/30/25/569643025.db2.gz HGEYBLRSLWZGCO-UHFFFAOYSA-N 1 0 461.631 4.658 50 0 JJAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681918 569643433 /nfs/dbraw/zinc/64/34/33/569643433.db2.gz AVXWETCUUPHTJM-UHFFFAOYSA-N 1 0 456.924 4.978 50 0 JJAARO COc1cccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3cccc(OC)c3OC)CC2)c1 ZINC000034683125 569644369 /nfs/dbraw/zinc/64/43/69/569644369.db2.gz LWMBALDLJHAJSB-UHFFFAOYSA-N 1 0 450.535 4.617 50 0 JJAARO CC(C)CC[NH+]1CCC(N(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034683827 569644592 /nfs/dbraw/zinc/64/45/92/569644592.db2.gz CHKXULJCBBSVOU-UHFFFAOYSA-N 1 0 465.015 4.775 50 0 JJAARO O=C(c1cccnc1Cl)N1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000034697729 569647645 /nfs/dbraw/zinc/64/76/45/569647645.db2.gz PKYLDHARQLDSSD-PXDATVDWSA-N 1 0 478.999 4.552 50 0 JJAARO COc1ccc(CC(=O)N2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034698022 569647685 /nfs/dbraw/zinc/64/76/85/569647685.db2.gz OXULMEOYRDHALJ-ZJSXRUAMSA-N 1 0 460.540 4.985 50 0 JJAARO CC[N@H+](CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1)Cc1ccccc1 ZINC000065023358 569649829 /nfs/dbraw/zinc/64/98/29/569649829.db2.gz RCTHWNDLMYKDRU-SANMLTNESA-N 1 0 471.649 4.697 50 0 JJAARO O=C(NCc1ccc2c(c1)OCO2)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711151 569650758 /nfs/dbraw/zinc/65/07/58/569650758.db2.gz KVXBYQGFDCZYPW-FCHUYYIVSA-N 1 0 464.512 4.616 50 0 JJAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)ccc21 ZINC000065026970 569651620 /nfs/dbraw/zinc/65/16/20/569651620.db2.gz AKCLYLKBMASVTN-UHFFFAOYSA-N 1 0 453.586 4.657 50 0 JJAARO COc1ccc(CCNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000034725518 569652773 /nfs/dbraw/zinc/65/27/73/569652773.db2.gz RFYXQRJYCWUIBH-UHFFFAOYSA-N 1 0 479.646 4.821 50 0 JJAARO CC(C)(C)CC(=O)N1CCCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000034830053 569663642 /nfs/dbraw/zinc/66/36/42/569663642.db2.gz MROAUEMLTCCGFS-AREMUKBSSA-N 1 0 467.679 4.583 50 0 JJAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)C3CCCC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831339 569664141 /nfs/dbraw/zinc/66/41/41/569664141.db2.gz XRDPUYJUQSIKHX-UHFFFAOYSA-N 1 0 469.649 4.637 50 0 JJAARO Cc1ccc(-c2noc(-c3nn(CC(=O)N4CC[NH+](C5CCCCC5)CC4)c4ccccc43)n2)cc1 ZINC000065111278 569664447 /nfs/dbraw/zinc/66/44/47/569664447.db2.gz QFFJIKWLROTKJS-UHFFFAOYSA-N 1 0 484.604 4.539 50 0 JJAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)NC1CCCCC1 ZINC000034835797 569665113 /nfs/dbraw/zinc/66/51/13/569665113.db2.gz JCNTYUCJCRADRW-UHFFFAOYSA-N 1 0 484.664 4.716 50 0 JJAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccn2c(c1)nnc2-c1ccccc1Br ZINC000065296606 569670354 /nfs/dbraw/zinc/67/03/54/569670354.db2.gz MWYTWZZXJHCZJS-UHFFFAOYSA-N 1 0 490.405 4.553 50 0 JJAARO COc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000035372667 569683073 /nfs/dbraw/zinc/68/30/73/569683073.db2.gz AUGVJYXBCZSCJM-UHFFFAOYSA-N 1 0 464.635 4.814 50 0 JJAARO CCc1ccc(NC(=O)CSC2=NC3(CC[NH+](CC)CC3)N=C2c2ccc(OC)cc2)cc1 ZINC000035372655 569683102 /nfs/dbraw/zinc/68/31/02/569683102.db2.gz PCDMASNVSIMEJZ-UHFFFAOYSA-N 1 0 464.635 4.643 50 0 JJAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(Cl)cc1)=N2 ZINC000035372744 569683229 /nfs/dbraw/zinc/68/32/29/569683229.db2.gz WQWRWTUJFNRQLZ-UHFFFAOYSA-N 1 0 462.953 4.613 50 0 JJAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000069438067 569692989 /nfs/dbraw/zinc/69/29/89/569692989.db2.gz MPLDPVOAYCPODW-JOCHJYFZSA-N 1 0 462.421 4.755 50 0 JJAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000069950985 569694360 /nfs/dbraw/zinc/69/43/60/569694360.db2.gz NRGLZWVZNOCBPH-GOSISDBHSA-N 1 0 464.635 4.740 50 0 JJAARO Cc1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)C2)c1 ZINC000035447467 569696157 /nfs/dbraw/zinc/69/61/57/569696157.db2.gz NYXMFYUREPWZLP-XMMPIXPASA-N 1 0 468.041 4.529 50 0 JJAARO C[C@H](C(=O)NCC[NH+]1CCCCC1)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000035454621 569697609 /nfs/dbraw/zinc/69/76/09/569697609.db2.gz JPHKHSNRPLEUNN-NRFANRHFSA-N 1 0 488.632 4.585 50 0 JJAARO CCOC(=O)c1ccc2nc(C(=O)NC[C@H](C)[NH+](C)C)n(Cc3ccc(-c4ccccc4)cc3)c2c1 ZINC000071907965 569699155 /nfs/dbraw/zinc/69/91/55/569699155.db2.gz AZTFUKWJXSYKJS-FQEVSTJZSA-N 1 0 484.600 4.608 50 0 JJAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560180 569704032 /nfs/dbraw/zinc/70/40/32/569704032.db2.gz OPDSQJZQPQHLND-UHFFFAOYSA-N 1 0 494.083 4.808 50 0 JJAARO C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562047 569704600 /nfs/dbraw/zinc/70/46/00/569704600.db2.gz AICUGIQNWTVJJE-IBGZPJMESA-N 1 0 485.072 4.787 50 0 JJAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000077200917 569705196 /nfs/dbraw/zinc/70/51/96/569705196.db2.gz DYFFSFGTSUGHMU-UHFFFAOYSA-N 1 0 452.599 4.590 50 0 JJAARO Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(CCC[NH+](C)C)C(c2ccccc2)c2ccccc2)no1 ZINC000084119746 569708932 /nfs/dbraw/zinc/70/89/32/569708932.db2.gz ZVXYHPOTOKXNKE-OAQYLSRUSA-N 1 0 494.661 4.613 50 0 JJAARO CN(C)c1ccc(C2=[NH+]O[C@H](CN(Cc3ccc(F)cc3F)C(=O)c3cccs3)C2)cc1 ZINC000035835146 569713377 /nfs/dbraw/zinc/71/33/77/569713377.db2.gz IREOKSWECLDKLI-FQEVSTJZSA-N 1 0 455.530 4.928 50 0 JJAARO COc1ccc(OC[C@H](O)C[N@H+](CCC(C)C)Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000035840565 569713791 /nfs/dbraw/zinc/71/37/91/569713791.db2.gz ZBMDOOLBSXAQMX-RUZDIDTESA-N 1 0 454.586 4.972 50 0 JJAARO Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)o1 ZINC000085653661 569714344 /nfs/dbraw/zinc/71/43/44/569714344.db2.gz FBGTTYDBEYGLNK-UHFFFAOYSA-N 1 0 462.525 4.881 50 0 JJAARO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)cc1 ZINC000035871494 569718789 /nfs/dbraw/zinc/71/87/89/569718789.db2.gz QDCRGHAUGJHLJS-ISKFKSNPSA-N 1 0 473.539 4.958 50 0 JJAARO O=C(COc1ccc(C2SCCCS2)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000089787641 569719777 /nfs/dbraw/zinc/71/97/77/569719777.db2.gz OCNSQYHLIIWALV-UHFFFAOYSA-N 1 0 460.640 4.854 50 0 JJAARO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908087 569723928 /nfs/dbraw/zinc/72/39/28/569723928.db2.gz JJZBCNJDHMORGL-FYYLOGMGSA-N 1 0 477.596 4.731 50 0 JJAARO CCCSc1ccccc1N1CC[NH+](CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1 ZINC000096027644 569732069 /nfs/dbraw/zinc/73/20/69/569732069.db2.gz HCDLTERODTXVDE-UHFFFAOYSA-N 1 0 457.684 4.800 50 0 JJAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccc(OCc2c(C)noc2C)c(OC)c1)c1ccco1 ZINC000096134100 569736436 /nfs/dbraw/zinc/73/64/36/569736436.db2.gz IYLQZWBYKXAPLK-VZNHHXIYSA-N 1 0 467.566 4.685 50 0 JJAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000036301525 569759018 /nfs/dbraw/zinc/75/90/18/569759018.db2.gz LEFAVBKALKQFMP-JOCHJYFZSA-N 1 0 467.610 4.504 50 0 JJAARO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313647 569760783 /nfs/dbraw/zinc/76/07/83/569760783.db2.gz XWXGVNSXGMQUJN-HSZRJFAPSA-N 1 0 467.610 4.505 50 0 JJAARO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036313946 569761621 /nfs/dbraw/zinc/76/16/21/569761621.db2.gz HWUHCAXEOGXAOP-QHCPKHFHSA-N 1 0 497.636 4.514 50 0 JJAARO CCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316391 569762725 /nfs/dbraw/zinc/76/27/25/569762725.db2.gz QIDJOWXUZWYBFM-JOCHJYFZSA-N 1 0 467.610 4.843 50 0 JJAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000036340153 569763590 /nfs/dbraw/zinc/76/35/90/569763590.db2.gz GSHGTYFPTCOJEC-AREMUKBSSA-N 1 0 488.676 4.649 50 0 JJAARO Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)c1 ZINC000036340581 569763984 /nfs/dbraw/zinc/76/39/84/569763984.db2.gz RLOASCTWPFDHND-SANMLTNESA-N 1 0 488.676 4.649 50 0 JJAARO Cn1cccc1[C@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341897 569764885 /nfs/dbraw/zinc/76/48/85/569764885.db2.gz ZPLDBRDQIVCXEL-HHHXNRCGSA-N 1 0 458.581 4.797 50 0 JJAARO Cn1cccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036341896 569764912 /nfs/dbraw/zinc/76/49/12/569764912.db2.gz ZPLDBRDQIVCXEL-MHZLTWQESA-N 1 0 458.581 4.797 50 0 JJAARO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346592 569770096 /nfs/dbraw/zinc/77/00/96/569770096.db2.gz CIXCXNLBYMKIRG-NRFANRHFSA-N 1 0 459.537 4.859 50 0 JJAARO C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(C)Cn2c3ccoc3cc2C(=O)N1CCC[N@H+](C)Cc1ccccc1 ZINC000037443405 569791112 /nfs/dbraw/zinc/79/11/12/569791112.db2.gz WCLOMZOYASIYID-LUICLMBMSA-N 1 0 490.648 4.666 50 0 JJAARO C[NH+](C)CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037543079 569793947 /nfs/dbraw/zinc/79/39/47/569793947.db2.gz XTJXKFCPWXNGID-UHFFFAOYSA-N 1 0 474.346 4.824 50 0 JJAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000037555958 569795161 /nfs/dbraw/zinc/79/51/61/569795161.db2.gz RRLVCWDJYJIUJS-UHFFFAOYSA-N 1 0 467.972 4.546 50 0 JJAARO COc1ccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000037572220 569795895 /nfs/dbraw/zinc/79/58/95/569795895.db2.gz XEAFRVMUZXARFJ-UHFFFAOYSA-N 1 0 450.604 4.864 50 0 JJAARO Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NCC[NH+]3CCCC3)c2)cc1 ZINC000037600986 569797185 /nfs/dbraw/zinc/79/71/85/569797185.db2.gz CZBYGCBEVZHMPJ-UHFFFAOYSA-N 1 0 469.629 4.905 50 0 JJAARO CCc1cc([C@@H](c2ccc3c(c2)OCO3)N2CC[NH+](CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546555 569803174 /nfs/dbraw/zinc/80/31/74/569803174.db2.gz DJAWPJLXGJPUOQ-HSZRJFAPSA-N 1 0 467.591 4.611 50 0 JJAARO Oc1cc(OCC[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1-c1n[nH]cc1-c1ccccc1 ZINC000039354648 569809395 /nfs/dbraw/zinc/80/93/95/569809395.db2.gz UAGUHHRHJCDZRH-UHFFFAOYSA-N 1 0 458.537 4.789 50 0 JJAARO Cc1ccc(N2C(=O)C[C@@H](C(=O)N3CCC(C[N@@H+](C)C(C)C)CC3)[C@@H]2c2cccs2)cc1 ZINC000039563899 569810851 /nfs/dbraw/zinc/81/08/51/569810851.db2.gz XEPAUBYDQBQTST-RCZVLFRGSA-N 1 0 453.652 4.730 50 0 JJAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCCCC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102746835 569820226 /nfs/dbraw/zinc/82/02/26/569820226.db2.gz HOTRTGXIJZRNPS-VWLOTQADSA-N 1 0 496.677 4.550 50 0 JJAARO CC[NH+](CC)CCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc21)c1cccc(Br)c1 ZINC000040157910 569821830 /nfs/dbraw/zinc/82/18/30/569821830.db2.gz APHWDPLFMBRLGO-UHFFFAOYSA-N 1 0 485.426 4.729 50 0 JJAARO CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000103709116 569837229 /nfs/dbraw/zinc/83/72/29/569837229.db2.gz ZGYBONLZZLLUEJ-ICSRJNTNSA-N 1 0 454.640 4.642 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000104984396 569848495 /nfs/dbraw/zinc/84/84/95/569848495.db2.gz PBUHDAYBEHVKPZ-VQTJNVASSA-N 1 0 451.394 4.775 50 0 JJAARO CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000105001969 569849017 /nfs/dbraw/zinc/84/90/17/569849017.db2.gz OMUPCLKZZHPLQY-PKTZIBPZSA-N 1 0 497.611 4.745 50 0 JJAARO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 ZINC000049586936 569849075 /nfs/dbraw/zinc/84/90/75/569849075.db2.gz YMNBBAOXHVVUIE-MBBDBFLNSA-N 1 0 450.579 4.699 50 0 JJAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000105061813 569852714 /nfs/dbraw/zinc/85/27/14/569852714.db2.gz ODOBQRCAJJDHSK-NLFFAJNJSA-N 1 0 493.698 4.829 50 0 JJAARO CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000105780059 569853376 /nfs/dbraw/zinc/85/33/76/569853376.db2.gz VMRBFEVPGQPSCR-VQIMIIECSA-N 1 0 461.400 4.764 50 0 JJAARO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000107374293 569856437 /nfs/dbraw/zinc/85/64/37/569856437.db2.gz JNOZEOYPSPQZGZ-AOYPEHQESA-N 1 0 479.546 4.885 50 0 JJAARO COc1cccc(C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000169677427 569868640 /nfs/dbraw/zinc/86/86/40/569868640.db2.gz SJVYFFQUYBHHCH-AHWVRZQESA-N 1 0 464.993 4.947 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169679112 569869531 /nfs/dbraw/zinc/86/95/31/569869531.db2.gz FCLDFVNKIDREPH-VWNXMTODSA-N 1 0 454.954 4.506 50 0 JJAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000169679381 569869783 /nfs/dbraw/zinc/86/97/83/569869783.db2.gz AGJKXWSYWWOTJH-VWNXMTODSA-N 1 0 454.954 4.506 50 0 JJAARO COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000169680053 569870068 /nfs/dbraw/zinc/87/00/68/569870068.db2.gz XJNCLNOQQDUOSG-BVAGGSTKSA-N 1 0 480.992 4.784 50 0 JJAARO Cc1cccc(C)c1C(=O)N1CCC([NH+]2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000244909768 570054323 /nfs/dbraw/zinc/05/43/23/570054323.db2.gz AUMIAXHTXZEJAV-UHFFFAOYSA-N 1 0 461.528 4.865 50 0 JJAARO C[C@H]1CCCC[N@@H+]1CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000245228507 570055516 /nfs/dbraw/zinc/05/55/16/570055516.db2.gz CZLFGPGOHKLNOZ-PZGXJGMVSA-N 1 0 478.681 4.959 50 0 JJAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245228606 570055671 /nfs/dbraw/zinc/05/56/71/570055671.db2.gz WOCXAGNYWXPBCP-UETOGOEVSA-N 1 0 478.681 4.958 50 0 JJAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000245241156 570058401 /nfs/dbraw/zinc/05/84/01/570058401.db2.gz YCYPRRLTJWAMAW-SEXOINJZSA-N 1 0 468.642 4.551 50 0 JJAARO CC1CCC(NC(=O)[C@]2(C)Cn3c4ccsc4cc3C(=O)N2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245261276 570060885 /nfs/dbraw/zinc/06/08/85/570060885.db2.gz AOHCRGBTPUFLDL-HPLYCVKXSA-N 1 0 484.710 4.877 50 0 JJAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245280754 570061870 /nfs/dbraw/zinc/06/18/70/570061870.db2.gz RSYVSFBVHDATSC-UKILVPOCSA-N 1 0 479.621 4.646 50 0 JJAARO CC[C@H](C)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](C)O ZINC000245326015 570064565 /nfs/dbraw/zinc/06/45/65/570064565.db2.gz CUNNTYHKLGTTOF-AVCGJXAMSA-N 1 0 458.668 4.599 50 0 JJAARO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CC1 ZINC000245328786 570066011 /nfs/dbraw/zinc/06/60/11/570066011.db2.gz PRELZQDZVVFEGS-AJTFRIOCSA-N 1 0 481.706 4.973 50 0 JJAARO C[C@@H]1CN(C(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000245330401 570066785 /nfs/dbraw/zinc/06/67/85/570066785.db2.gz YDPVSVGGKWZDAA-BNZHZJDSSA-N 1 0 499.680 4.559 50 0 JJAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000247887728 570070525 /nfs/dbraw/zinc/07/05/25/570070525.db2.gz DZAAESPYYUEWME-JJUMQRNRSA-N 1 0 497.982 4.663 50 0 JJAARO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)cc1 ZINC000247910039 570070981 /nfs/dbraw/zinc/07/09/81/570070981.db2.gz UEJPOJZNVUVWIU-XMMPIXPASA-N 1 0 498.627 4.630 50 0 JJAARO CC(C)N(C)C(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247988977 570072308 /nfs/dbraw/zinc/07/23/08/570072308.db2.gz LBMJPPGWFMQJEY-GOSISDBHSA-N 1 0 469.427 4.867 50 0 JJAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000248005901 570072748 /nfs/dbraw/zinc/07/27/48/570072748.db2.gz PREUNHUAUXTNGI-OAQYLSRUSA-N 1 0 480.056 4.831 50 0 JJAARO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248021654 570072898 /nfs/dbraw/zinc/07/28/98/570072898.db2.gz UVVKZMNHQMKEHV-KRWDZBQOSA-N 1 0 455.400 4.525 50 0 JJAARO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)NCc4ccccc4C)C3)nc3ccccc32)cc1 ZINC000248164907 570075868 /nfs/dbraw/zinc/07/58/68/570075868.db2.gz QVWKGHSTVLEHJZ-VWLOTQADSA-N 1 0 482.628 4.930 50 0 JJAARO CC(C)n1c(C[N@@H+]2CCC[C@@H](C(=O)NCc3ccc(Br)cc3)C2)nc2ccccc21 ZINC000248176150 570076003 /nfs/dbraw/zinc/07/60/03/570076003.db2.gz VUAYVEVMUUQTEZ-LJQANCHMSA-N 1 0 469.427 4.908 50 0 JJAARO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248251121 570076853 /nfs/dbraw/zinc/07/68/53/570076853.db2.gz SJFBFNNICFFPRO-SFHVURJKSA-N 1 0 469.427 4.916 50 0 JJAARO CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CCN(c4ccc(C(C)C)cc4)CC3)C2)nc2ccccc21 ZINC000252079272 570079801 /nfs/dbraw/zinc/07/98/01/570079801.db2.gz FCRDFLOWIKUWIM-XMMPIXPASA-N 1 0 473.665 4.740 50 0 JJAARO COc1cccc2cc(-c3ccc(OCC(=O)N(C)C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)cc3)c(=O)oc21 ZINC000253410203 570097534 /nfs/dbraw/zinc/09/75/34/570097534.db2.gz MYGZERZEQIKAKD-WIOPSUGQSA-N 1 0 490.600 4.570 50 0 JJAARO Fc1ccc(Cn2cc(C[NH2+]CCSc3nnnn3-c3ccccc3)c3ccccc32)cc1 ZINC000261492650 570170243 /nfs/dbraw/zinc/17/02/43/570170243.db2.gz XZOVBYRXFZSKGO-UHFFFAOYSA-N 1 0 458.566 4.686 50 0 JJAARO O=C(c1cccnc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000390827038 570185433 /nfs/dbraw/zinc/18/54/33/570185433.db2.gz SOHLPJRJYDTVKJ-ONJIFJTESA-N 1 0 488.931 4.552 50 0 JJAARO