smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(F)cc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159589482 186129409 /nfs/dbraw/zinc/12/94/09/186129409.db2.gz RGWGWTAPYGXNEA-UHFFFAOYSA-N 1 1 322.424 2.565 20 70 DFIDMO C[S@](=O)C[C@H]([NH2+]Cc1cccnc1Cl)c1ccccc1 ZINC000159597038 186129894 /nfs/dbraw/zinc/12/98/94/186129894.db2.gz CRTRXOUHEAIXDW-VBKZILBWSA-N 1 1 308.834 2.944 20 70 DFIDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](O)c2ccccc2)C1 ZINC000159649743 186133021 /nfs/dbraw/zinc/13/30/21/186133021.db2.gz XRIMUGMPCATMEW-JZXOWHBKSA-N 1 1 318.461 2.594 20 70 DFIDMO Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000159447857 398964585 /nfs/dbraw/zinc/96/45/85/398964585.db2.gz BFSLANRIQJPRIL-CVEARBPZSA-N 1 1 303.450 2.740 20 70 DFIDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1coc(-c2ccccc2)n1 ZINC000159496137 398964705 /nfs/dbraw/zinc/96/47/05/398964705.db2.gz IOQJJDOXDNREDF-HNNXBMFYSA-N 1 1 311.385 2.556 20 70 DFIDMO C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160628831 398971651 /nfs/dbraw/zinc/97/16/51/398971651.db2.gz CGFCGDGIWHMYNA-CJNGLKHVSA-N 1 1 317.433 2.579 20 70 DFIDMO O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)[C@H]1CSC[NH2+]1 ZINC000160080207 284099707 /nfs/dbraw/zinc/09/97/07/284099707.db2.gz JRNIBKWGLZCVRC-GHMZBOCLSA-N 1 1 317.241 2.759 20 70 DFIDMO COC(=O)C[C@@H]1CSCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160208414 197392995 /nfs/dbraw/zinc/39/29/95/197392995.db2.gz GHBLSWSKMDEVCR-OAHLLOKOSA-N 1 1 321.442 2.548 20 70 DFIDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160208414 197392996 /nfs/dbraw/zinc/39/29/96/197392996.db2.gz GHBLSWSKMDEVCR-OAHLLOKOSA-N 1 1 321.442 2.548 20 70 DFIDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nccn(C2CC2)c1=O ZINC000160211882 197393057 /nfs/dbraw/zinc/39/30/57/197393057.db2.gz PSBFNJOKWNRDRM-YOEHRIQHSA-N 1 1 324.428 2.511 20 70 DFIDMO CN(C)c1cccc(C[N@H+](C)CC(=O)N(C)c2ccccc2)c1 ZINC000159886220 197371280 /nfs/dbraw/zinc/37/12/80/197371280.db2.gz GNRSIOXEKXANJU-UHFFFAOYSA-N 1 1 311.429 2.847 20 70 DFIDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)N(C)c2ccccc2)c1 ZINC000159886220 197371281 /nfs/dbraw/zinc/37/12/81/197371281.db2.gz GNRSIOXEKXANJU-UHFFFAOYSA-N 1 1 311.429 2.847 20 70 DFIDMO C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCC[C@@H]1O ZINC000159526265 197360707 /nfs/dbraw/zinc/36/07/07/197360707.db2.gz UWXBWOCRHLWGJI-OCCSQVGLSA-N 1 1 321.808 2.983 20 70 DFIDMO C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C[C@H]1CCC[C@@H]1O ZINC000159526265 197360708 /nfs/dbraw/zinc/36/07/08/197360708.db2.gz UWXBWOCRHLWGJI-OCCSQVGLSA-N 1 1 321.808 2.983 20 70 DFIDMO Cc1nccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1Cl ZINC000159375164 542717344 /nfs/dbraw/zinc/71/73/44/542717344.db2.gz WWYOPVFTFDNGBV-GWCFXTLKSA-N 1 1 310.829 2.894 20 70 DFIDMO Cc1nccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1Cl ZINC000159534347 542717750 /nfs/dbraw/zinc/71/77/50/542717750.db2.gz MMISQJGAXVOXNK-TZMCWYRMSA-N 1 1 322.840 2.991 20 70 DFIDMO Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000159500212 542717761 /nfs/dbraw/zinc/71/77/61/542717761.db2.gz YSTVDGSAIQUGHY-RHSMWYFYSA-N 1 1 314.433 2.871 20 70 DFIDMO Cc1cc(-c2nnc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)o2)c(C)o1 ZINC000161409879 542729745 /nfs/dbraw/zinc/72/97/45/542729745.db2.gz MSALEUHVBPEDIY-ZDUSSCGKSA-N 1 1 317.389 2.947 20 70 DFIDMO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000218674477 542878791 /nfs/dbraw/zinc/87/87/91/542878791.db2.gz LNBCLTIOLNBQQJ-FMKPAKJESA-N 1 1 302.418 2.747 20 70 DFIDMO CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000218674031 542879074 /nfs/dbraw/zinc/87/90/74/542879074.db2.gz YQNRYSSUKAFUNP-CHWSQXEVSA-N 1 1 303.406 2.704 20 70 DFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159589963 145220025 /nfs/dbraw/zinc/22/00/25/145220025.db2.gz KVJRGNFZKNEKHX-MWLCHTKSSA-N 1 1 318.314 2.930 20 70 DFIDMO Cc1cccc(C[NH+]2CCN(C[C@H](O)Cc3ccccc3)CC2)c1 ZINC000218751230 146000208 /nfs/dbraw/zinc/00/02/08/146000208.db2.gz WTAFKFKXXOXHBF-OAQYLSRUSA-N 1 1 324.468 2.716 20 70 DFIDMO CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160489853 425983845 /nfs/dbraw/zinc/98/38/45/425983845.db2.gz GPKBZGFOGVNGER-RDTXWAMCSA-N 1 1 321.417 2.756 20 70 DFIDMO CS[C@@H](C)CC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000160716200 425993840 /nfs/dbraw/zinc/99/38/40/425993840.db2.gz BRUNLNLBRQFFLQ-AWEZNQCLSA-N 1 1 322.474 2.641 20 70 DFIDMO COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000160734926 425994526 /nfs/dbraw/zinc/99/45/26/425994526.db2.gz PDMCNZSHWDRCMB-KDOFPFPSSA-N 1 1 312.413 2.923 20 70 DFIDMO CCCC[N@H+](Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160782131 425997025 /nfs/dbraw/zinc/99/70/25/425997025.db2.gz LDGCVVLPLWDMKG-ZDUSSCGKSA-N 1 1 301.477 2.846 20 70 DFIDMO CCCC[N@@H+](Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000160782131 425997028 /nfs/dbraw/zinc/99/70/28/425997028.db2.gz LDGCVVLPLWDMKG-ZDUSSCGKSA-N 1 1 301.477 2.846 20 70 DFIDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160894765 426000394 /nfs/dbraw/zinc/00/03/94/426000394.db2.gz NEYUUDZKEHRSMM-GDBMZVCRSA-N 1 1 310.482 2.506 20 70 DFIDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160964107 426002949 /nfs/dbraw/zinc/00/29/49/426002949.db2.gz VTJPNLIZZDOSQQ-RHSMWYFYSA-N 1 1 320.389 2.601 20 70 DFIDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160964250 426003124 /nfs/dbraw/zinc/00/31/24/426003124.db2.gz VTJPNLIZZDOSQQ-PBHICJAKSA-N 1 1 320.389 2.601 20 70 DFIDMO C[N@@H+](CCNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)C1CCCCC1 ZINC000159604754 425963831 /nfs/dbraw/zinc/96/38/31/425963831.db2.gz CVERUZAMIVVWPX-WBVHZDCISA-N 1 1 323.481 2.508 20 70 DFIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159624728 425964024 /nfs/dbraw/zinc/96/40/24/425964024.db2.gz VDLOMKIENIERQO-GHMZBOCLSA-N 1 1 321.471 2.957 20 70 DFIDMO COc1ccc2oc(C[N@H+]3C[C@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000159704137 425965440 /nfs/dbraw/zinc/96/54/40/425965440.db2.gz CJAPJXDYHDGSMQ-VXGBXAGGSA-N 1 1 302.374 2.527 20 70 DFIDMO CCN1CC[C@H]([NH2+]C[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854416 425968613 /nfs/dbraw/zinc/96/86/13/425968613.db2.gz ZLDXVJFBGIPANL-INMHGKMJSA-N 1 1 321.534 2.815 20 70 DFIDMO C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919275 425970552 /nfs/dbraw/zinc/97/05/52/425970552.db2.gz YKXCVOJUKJMIDS-KONPQCLYSA-N 1 1 301.478 2.756 20 70 DFIDMO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000159959007 425971330 /nfs/dbraw/zinc/97/13/30/425971330.db2.gz SSVLEFHBIQMROF-MRXNPFEDSA-N 1 1 311.429 2.866 20 70 DFIDMO CC(C)[N@@H+](CCc1nccs1)C[C@@H](O)COCc1ccco1 ZINC000159950865 425971945 /nfs/dbraw/zinc/97/19/45/425971945.db2.gz KNWGDZYRSATWRI-CQSZACIVSA-N 1 1 324.446 2.567 20 70 DFIDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000160010853 425973419 /nfs/dbraw/zinc/97/34/19/425973419.db2.gz PTSAGPCWRYSMPY-QGZVFWFLSA-N 1 1 310.401 2.909 20 70 DFIDMO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000160091001 425974040 /nfs/dbraw/zinc/97/40/40/425974040.db2.gz KTGZCCUBYUBSQD-WQVCFCJDSA-N 1 1 319.449 2.728 20 70 DFIDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@H](C)C2)n1 ZINC000160097890 425974429 /nfs/dbraw/zinc/97/44/29/425974429.db2.gz KVMHCSZEHHHLLM-YOEHRIQHSA-N 1 1 301.434 2.785 20 70 DFIDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H](C)C2)n1 ZINC000160097890 425974430 /nfs/dbraw/zinc/97/44/30/425974430.db2.gz KVMHCSZEHHHLLM-YOEHRIQHSA-N 1 1 301.434 2.785 20 70 DFIDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1coc(-c2ccccc2)n1 ZINC000160269265 425977625 /nfs/dbraw/zinc/97/76/25/425977625.db2.gz IFWQASKZBDOENS-DZGCQCFKSA-N 1 1 311.385 2.650 20 70 DFIDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)[nH]1 ZINC000160326104 425979897 /nfs/dbraw/zinc/97/98/97/425979897.db2.gz UJEGEGNYUWGVPH-LLVKDONJSA-N 1 1 313.405 2.566 20 70 DFIDMO CCC(CC)n1nccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000161404518 426023685 /nfs/dbraw/zinc/02/36/85/426023685.db2.gz ZOJXXQGGMUSIOP-OAHLLOKOSA-N 1 1 318.421 2.870 20 70 DFIDMO COC(=O)CCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000161444193 426024226 /nfs/dbraw/zinc/02/42/26/426024226.db2.gz DLIWRXOWOFVXBK-UHFFFAOYSA-N 1 1 304.365 2.863 20 70 DFIDMO CSc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1F ZINC000161043491 426007021 /nfs/dbraw/zinc/00/70/21/426007021.db2.gz ZYRGGFSQNIPHHQ-ZDUSSCGKSA-N 1 1 308.422 2.858 20 70 DFIDMO CSc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1F ZINC000161043491 426007024 /nfs/dbraw/zinc/00/70/24/426007024.db2.gz ZYRGGFSQNIPHHQ-ZDUSSCGKSA-N 1 1 308.422 2.858 20 70 DFIDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000161078572 426007876 /nfs/dbraw/zinc/00/78/76/426007876.db2.gz GCDAFSULJAWIRM-MRXNPFEDSA-N 1 1 311.429 2.951 20 70 DFIDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000161078572 426007877 /nfs/dbraw/zinc/00/78/77/426007877.db2.gz GCDAFSULJAWIRM-MRXNPFEDSA-N 1 1 311.429 2.951 20 70 DFIDMO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1nccs1 ZINC000161080054 426008146 /nfs/dbraw/zinc/00/81/46/426008146.db2.gz XGLIAACPRDZJSS-CHWSQXEVSA-N 1 1 320.462 2.915 20 70 DFIDMO CC[N@@H+](CCNC(=O)Nc1ccn(CCC(C)C)n1)C(C)C ZINC000161158009 426010941 /nfs/dbraw/zinc/01/09/41/426010941.db2.gz WZWDHKUCDGFIDI-UHFFFAOYSA-N 1 1 309.458 2.781 20 70 DFIDMO CC(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161260342 426015866 /nfs/dbraw/zinc/01/58/66/426015866.db2.gz CSGVDCWDTGIPAE-UHFFFAOYSA-N 1 1 318.461 2.661 20 70 DFIDMO Cc1nc2ncnn2c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000161295798 426016970 /nfs/dbraw/zinc/01/69/70/426016970.db2.gz OMEVHHCQYZMSHI-HNNXBMFYSA-N 1 1 316.453 2.521 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000161296937 426017258 /nfs/dbraw/zinc/01/72/58/426017258.db2.gz OUZYBKSUGQTPFE-INIZCTEOSA-N 1 1 314.433 2.729 20 70 DFIDMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000161288030 426017626 /nfs/dbraw/zinc/01/76/26/426017626.db2.gz JWOAPCCBNMRQGM-CQSZACIVSA-N 1 1 313.380 2.688 20 70 DFIDMO CC(C)(C)C(=O)N1CCC(C[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000161312552 426018404 /nfs/dbraw/zinc/01/84/04/426018404.db2.gz REHPYUWTTORNOR-UHFFFAOYSA-N 1 1 308.466 2.526 20 70 DFIDMO CC[C@H](C)OCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000161347064 426020391 /nfs/dbraw/zinc/02/03/91/426020391.db2.gz DBZZYOWNKRMXHZ-BQFCYCMXSA-N 1 1 318.461 2.828 20 70 DFIDMO C[N@@H+](CC1CCOCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161352806 426020610 /nfs/dbraw/zinc/02/06/10/426020610.db2.gz MTDXOGQWWSKAFH-UHFFFAOYSA-N 1 1 310.482 2.630 20 70 DFIDMO O[C@@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)C(F)(F)F ZINC000218209418 426566198 /nfs/dbraw/zinc/56/61/98/426566198.db2.gz DLBUJMIYAQCJPK-NSHDSACASA-N 1 1 302.321 2.823 20 70 DFIDMO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177209 426566287 /nfs/dbraw/zinc/56/62/87/426566287.db2.gz LNHRVRYAKFAROO-QWHCGFSZSA-N 1 1 308.426 2.535 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000159744802 276162030 /nfs/dbraw/zinc/16/20/30/276162030.db2.gz SIEDDCJBCOWJDJ-MRXNPFEDSA-N 1 1 305.397 2.550 20 70 DFIDMO CCOCC[N@H+]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1CC ZINC000159929605 276322187 /nfs/dbraw/zinc/32/21/87/276322187.db2.gz PFTOLGKPUIGMEM-LJQANCHMSA-N 1 1 318.436 2.610 20 70 DFIDMO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000159431762 295376461 /nfs/dbraw/zinc/37/64/61/295376461.db2.gz SEPANHHYJYNHKZ-VXGBXAGGSA-N 1 1 314.376 2.547 20 70 DFIDMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@H](C)O1 ZINC000159424618 295376508 /nfs/dbraw/zinc/37/65/08/295376508.db2.gz FFPCFGZHHTTYBZ-CYGHRXIMSA-N 1 1 322.493 2.818 20 70 DFIDMO Cc1cccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1C ZINC000159409537 295376606 /nfs/dbraw/zinc/37/66/06/295376606.db2.gz BIEXEKBJNOTLOX-KRWDZBQOSA-N 1 1 324.490 2.597 20 70 DFIDMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCC(c2ccccc2)=N1 ZINC000159626457 295379427 /nfs/dbraw/zinc/37/94/27/295379427.db2.gz PCHXCQVUJGAIHV-WMZOPIPTSA-N 1 1 311.429 2.888 20 70 DFIDMO COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159731536 295381119 /nfs/dbraw/zinc/38/11/19/295381119.db2.gz JFGKMZUEKXNIPR-ROUUACIJSA-N 1 1 316.445 2.714 20 70 DFIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000159770082 295381543 /nfs/dbraw/zinc/38/15/43/295381543.db2.gz FBZVCYJJFKACEM-HNNXBMFYSA-N 1 1 313.401 2.946 20 70 DFIDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1CCC[C@H](C)C1 ZINC000159876840 295383121 /nfs/dbraw/zinc/38/31/21/295383121.db2.gz SWFIFJQVBKPJRH-AWEZNQCLSA-N 1 1 309.479 2.655 20 70 DFIDMO COc1ccc(C[N@@H+](C)Cc2cnc3nc(C)cc(C)n23)cc1 ZINC000159860851 295382995 /nfs/dbraw/zinc/38/29/95/295382995.db2.gz RFWRZKOLKMVDOU-UHFFFAOYSA-N 1 1 310.401 2.987 20 70 DFIDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)NC1CCCCC1 ZINC000159866765 295383230 /nfs/dbraw/zinc/38/32/30/295383230.db2.gz WARGSIGZIYOUOX-UHFFFAOYSA-N 1 1 309.479 2.845 20 70 DFIDMO Clc1cccc(OCCSCC[NH+]2CCOCC2)c1 ZINC000159932667 295383965 /nfs/dbraw/zinc/38/39/65/295383965.db2.gz LYQIVWKLBMJVMJ-UHFFFAOYSA-N 1 1 301.839 2.784 20 70 DFIDMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(C)cn3)CC2)cs1 ZINC000159952607 295384075 /nfs/dbraw/zinc/38/40/75/295384075.db2.gz KNYVALBQYLSTMT-UHFFFAOYSA-N 1 1 316.474 2.863 20 70 DFIDMO O=C(Oc1ccccc1)N1CCC[N@@H+](CCOCC2CC2)CC1 ZINC000160204198 295387910 /nfs/dbraw/zinc/38/79/10/295387910.db2.gz BWMIIDIWBLMJBI-UHFFFAOYSA-N 1 1 318.417 2.620 20 70 DFIDMO CC[C@@H](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)C ZINC000160297806 295389341 /nfs/dbraw/zinc/38/93/41/295389341.db2.gz DVUPEAWUCIODML-INIZCTEOSA-N 1 1 312.498 2.876 20 70 DFIDMO Cc1cccc2nc(CNC(=O)CN(C)Cc3ccccc3)[nH]c21 ZINC000160338735 295389922 /nfs/dbraw/zinc/38/99/22/295389922.db2.gz OIKVQRIKQWEZGO-UHFFFAOYSA-N 1 1 322.412 2.620 20 70 DFIDMO Cc1cccc2[nH]c(CNC(=O)C[N@@H+](C)Cc3ccccc3)nc21 ZINC000160338735 295389924 /nfs/dbraw/zinc/38/99/24/295389924.db2.gz OIKVQRIKQWEZGO-UHFFFAOYSA-N 1 1 322.412 2.620 20 70 DFIDMO Cc1cccc2[nH]c(CNC(=O)C[N@H+](C)Cc3ccccc3)nc21 ZINC000160338735 295389927 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CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccnc(C)c1Cl ZINC000159362449 542717373 /nfs/dbraw/zinc/71/73/73/542717373.db2.gz KRHXWQRLUINDTI-LBPRGKRZSA-N 1 1 310.829 2.991 20 70 DFIDMO CCc1ccc(CC)c(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000160232611 542721801 /nfs/dbraw/zinc/72/18/01/542721801.db2.gz RJLKENVKCRDZKV-GUYCJALGSA-N 1 1 319.449 2.652 20 70 DFIDMO CCc1ccc(CC)c(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000160232611 542721806 /nfs/dbraw/zinc/72/18/06/542721806.db2.gz RJLKENVKCRDZKV-GUYCJALGSA-N 1 1 319.449 2.652 20 70 DFIDMO Cc1noc(C)c1[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160441378 542723131 /nfs/dbraw/zinc/72/31/31/542723131.db2.gz SCFXSCDGTIOHTR-IUODEOHRSA-N 1 1 307.438 2.632 20 70 DFIDMO Cc1ccc(CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000217224337 542876327 /nfs/dbraw/zinc/87/63/27/542876327.db2.gz FFINYJJECQWTQB-IAGOWNOFSA-N 1 1 317.477 2.957 20 70 DFIDMO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000217225148 542876383 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ZINC000159966249 425971679 /nfs/dbraw/zinc/97/16/79/425971679.db2.gz PNUXNNSQYLPFAP-KRWDZBQOSA-N 1 1 323.525 2.687 20 70 DFIDMO CC[N@H+]1CCC[C@H]1CN(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159966249 425971681 /nfs/dbraw/zinc/97/16/81/425971681.db2.gz PNUXNNSQYLPFAP-KRWDZBQOSA-N 1 1 323.525 2.687 20 70 DFIDMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ncccn1)c1ccc(F)cc1F ZINC000161035312 426005396 /nfs/dbraw/zinc/00/53/96/426005396.db2.gz KUKOFWNVKUOTAX-YGRLFVJLSA-N 1 1 320.343 2.823 20 70 DFIDMO C[C@H](c1ccc(NC(=O)N[C@@H](C)CC#N)cc1)[NH+]1CCOCC1 ZINC000160107799 425974051 /nfs/dbraw/zinc/97/40/51/425974051.db2.gz BSMGVBPYMSLKQU-UONOGXRCSA-N 1 1 316.405 2.503 20 70 DFIDMO CC[C@@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000160142754 425975014 /nfs/dbraw/zinc/97/50/14/425975014.db2.gz IDFFYRANPPCONS-YQVWRLOYSA-N 1 1 318.509 2.612 20 70 DFIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000160142754 425975017 /nfs/dbraw/zinc/97/50/17/425975017.db2.gz IDFFYRANPPCONS-YQVWRLOYSA-N 1 1 318.509 2.612 20 70 DFIDMO CCCn1nc(C)c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC000161500204 426026921 /nfs/dbraw/zinc/02/69/21/426026921.db2.gz NRBIXDKDPHLMJD-CQSZACIVSA-N 1 1 320.481 2.904 20 70 DFIDMO COC(C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)OC ZINC000161509200 426027747 /nfs/dbraw/zinc/02/77/47/426027747.db2.gz AUCIOUNQJFFMEH-IRXDYDNUSA-N 1 1 307.434 2.974 20 70 DFIDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000161119810 426009232 /nfs/dbraw/zinc/00/92/32/426009232.db2.gz WXLOBOMXKAGKLA-OAHLLOKOSA-N 1 1 314.433 2.635 20 70 DFIDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000161119810 426009234 /nfs/dbraw/zinc/00/92/34/426009234.db2.gz WXLOBOMXKAGKLA-OAHLLOKOSA-N 1 1 314.433 2.635 20 70 DFIDMO COC(=O)c1cc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)s1 ZINC000161136163 426010079 /nfs/dbraw/zinc/01/00/79/426010079.db2.gz ACFQAIPHRNEBBM-RHSMWYFYSA-N 1 1 323.458 2.970 20 70 DFIDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CC3(C)C)c2)CCO1 ZINC000161129110 426010304 /nfs/dbraw/zinc/01/03/04/426010304.db2.gz KUDCWIZASDJNKS-PBHICJAKSA-N 1 1 316.445 2.570 20 70 DFIDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CC3(C)C)c2)CCO1 ZINC000161129110 426010309 /nfs/dbraw/zinc/01/03/09/426010309.db2.gz KUDCWIZASDJNKS-PBHICJAKSA-N 1 1 316.445 2.570 20 70 DFIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000161178802 426012222 /nfs/dbraw/zinc/01/22/22/426012222.db2.gz DGATTYAVFSURNE-AWEZNQCLSA-N 1 1 317.458 2.712 20 70 DFIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000161178802 426012226 /nfs/dbraw/zinc/01/22/26/426012226.db2.gz DGATTYAVFSURNE-AWEZNQCLSA-N 1 1 317.458 2.712 20 70 DFIDMO COCC(C)(C)C(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000161256802 426015111 /nfs/dbraw/zinc/01/51/11/426015111.db2.gz BHKGRGPBXCYGDG-DOTOQJQBSA-N 1 1 318.461 2.686 20 70 DFIDMO CC[C@@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1c(C)noc1C ZINC000161274773 426016114 /nfs/dbraw/zinc/01/61/14/426016114.db2.gz BDBKJVDUEPPZRE-GLQYFDAESA-N 1 1 307.438 2.630 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000161262798 426016439 /nfs/dbraw/zinc/01/64/39/426016439.db2.gz IIGZQNRQLVFODG-LBPRGKRZSA-N 1 1 321.406 2.647 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000161262798 426016443 /nfs/dbraw/zinc/01/64/43/426016443.db2.gz IIGZQNRQLVFODG-LBPRGKRZSA-N 1 1 321.406 2.647 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000161340245 426020060 /nfs/dbraw/zinc/02/00/60/426020060.db2.gz JOACDDBXFUARCO-STQMWFEESA-N 1 1 318.425 2.745 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000161340245 426020063 /nfs/dbraw/zinc/02/00/63/426020063.db2.gz JOACDDBXFUARCO-STQMWFEESA-N 1 1 318.425 2.745 20 70 DFIDMO C[N@H+](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC000159619139 295378939 /nfs/dbraw/zinc/37/89/39/295378939.db2.gz JDNWNFXUQTUUFL-QGZVFWFLSA-N 1 1 316.445 2.726 20 70 DFIDMO C[N@@H+](CC(=O)N[C@@H]1CCOC2(CCCC2)C1)Cc1ccccc1 ZINC000159619139 295378942 /nfs/dbraw/zinc/37/89/42/295378942.db2.gz JDNWNFXUQTUUFL-QGZVFWFLSA-N 1 1 316.445 2.726 20 70 DFIDMO CC(C)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159738146 295381109 /nfs/dbraw/zinc/38/11/09/295381109.db2.gz XTBFBAYXVVHIRN-UHFFFAOYSA-N 1 1 315.373 2.667 20 70 DFIDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccn1C ZINC000159833234 295382674 /nfs/dbraw/zinc/38/26/74/295382674.db2.gz FVPYVEKGKJICDU-MRXNPFEDSA-N 1 1 320.481 2.821 20 70 DFIDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N1CCCC[C@H]1C ZINC000159861557 295382824 /nfs/dbraw/zinc/38/28/24/295382824.db2.gz DXHCTCLCGRMZDG-CQSZACIVSA-N 1 1 309.479 2.797 20 70 DFIDMO CC(C)[N@@H+](CCc1nccs1)C[C@@H](O)COC(C)(C)C ZINC000159865420 295383049 /nfs/dbraw/zinc/38/30/49/295383049.db2.gz CRXUNYRLWQVAPH-CYBMUJFWSA-N 1 1 300.468 2.572 20 70 DFIDMO CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2ccccc2F)c1 ZINC000159887699 295383568 /nfs/dbraw/zinc/38/35/68/295383568.db2.gz SVPOIEYMOMYTGC-UHFFFAOYSA-N 1 1 315.392 2.962 20 70 DFIDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2F)c1 ZINC000159887699 295383569 /nfs/dbraw/zinc/38/35/69/295383569.db2.gz SVPOIEYMOMYTGC-UHFFFAOYSA-N 1 1 315.392 2.962 20 70 DFIDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160032326 295385498 /nfs/dbraw/zinc/38/54/98/295385498.db2.gz ACDUSWDEKGUPCZ-CVEARBPZSA-N 1 1 302.418 2.673 20 70 DFIDMO CCCCn1ncc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000160188405 295387747 /nfs/dbraw/zinc/38/77/47/295387747.db2.gz XEAKJBSJAREBCC-BBRMVZONSA-N 1 1 321.469 2.842 20 70 DFIDMO CCCC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000160551669 295392481 /nfs/dbraw/zinc/39/24/81/295392481.db2.gz TZFLQRIBWNFFEG-QGZVFWFLSA-N 1 1 316.445 2.584 20 70 DFIDMO CCCC1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000160551669 295392483 /nfs/dbraw/zinc/39/24/83/295392483.db2.gz TZFLQRIBWNFFEG-QGZVFWFLSA-N 1 1 316.445 2.584 20 70 DFIDMO COc1ccccc1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160564015 295392993 /nfs/dbraw/zinc/39/29/93/295392993.db2.gz BYQRNLOAWUBMGF-QGZVFWFLSA-N 1 1 318.461 2.864 20 70 DFIDMO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccoc2)C1=O ZINC000160801851 295395471 /nfs/dbraw/zinc/39/54/71/295395471.db2.gz ABUDAPMBGDJHKY-TZMCWYRMSA-N 1 1 300.358 2.744 20 70 DFIDMO CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](C)CC)CC[N@H+]1CCOC ZINC000160931354 295396729 /nfs/dbraw/zinc/39/67/29/295396729.db2.gz JCZINIVXWOATGB-HRCADAONSA-N 1 1 313.486 2.563 20 70 DFIDMO CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000161022861 295397657 /nfs/dbraw/zinc/39/76/57/295397657.db2.gz YOHSPWOBLQFLMS-MSOLQXFVSA-N 1 1 318.461 2.564 20 70 DFIDMO CCOc1ccc(C[N@H+](C)Cc2cnn(C)c2)cc1OCC ZINC000161053219 295398098 /nfs/dbraw/zinc/39/80/98/295398098.db2.gz RKZRHWNOFUELAO-UHFFFAOYSA-N 1 1 303.406 2.850 20 70 DFIDMO CCOc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1OCC ZINC000161053219 295398101 /nfs/dbraw/zinc/39/81/01/295398101.db2.gz RKZRHWNOFUELAO-UHFFFAOYSA-N 1 1 303.406 2.850 20 70 DFIDMO CCC[N@H+](Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000161083551 295398597 /nfs/dbraw/zinc/39/85/97/295398597.db2.gz OZUJJTCHUCUMKL-AWEZNQCLSA-N 1 1 307.415 2.832 20 70 DFIDMO CCC[N@@H+](Cc1coc2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000161083551 295398598 /nfs/dbraw/zinc/39/85/98/295398598.db2.gz OZUJJTCHUCUMKL-AWEZNQCLSA-N 1 1 307.415 2.832 20 70 DFIDMO C[N@H+](CC(=O)N1CCCSc2ccccc21)[C@@H]1CCSC1 ZINC000161150450 295399454 /nfs/dbraw/zinc/39/94/54/295399454.db2.gz VSYQKEWMOHPEPC-CYBMUJFWSA-N 1 1 322.499 2.953 20 70 DFIDMO C[N@@H+](CC(=O)N1CCCSc2ccccc21)[C@@H]1CCSC1 ZINC000161150450 295399456 /nfs/dbraw/zinc/39/94/56/295399456.db2.gz VSYQKEWMOHPEPC-CYBMUJFWSA-N 1 1 322.499 2.953 20 70 DFIDMO CCOCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160397874 519903755 /nfs/dbraw/zinc/90/37/55/519903755.db2.gz NIJLDFGHJOQPNR-YIONKMFJSA-N 1 1 312.454 2.885 20 70 DFIDMO CC[N@@H+](CC(=O)N1CC=C(c2ccccc2F)CC1)C1CC1 ZINC000160316494 520307058 /nfs/dbraw/zinc/30/70/58/520307058.db2.gz MPSKZDPUEKUFKX-UHFFFAOYSA-N 1 1 302.393 2.926 20 70 DFIDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(Cl)cccc1OC ZINC000160484004 521628216 /nfs/dbraw/zinc/62/82/16/521628216.db2.gz BDVXOMDCCCJSOL-CYBMUJFWSA-N 1 1 324.852 2.834 20 70 DFIDMO COc1cc(O)c(C[N@H+]2CCOC[C@H]2CC(C)C)cc1OC ZINC000160198372 522778013 /nfs/dbraw/zinc/77/80/13/522778013.db2.gz GIEHJWLNLKOYBC-CQSZACIVSA-N 1 1 309.406 2.656 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 ZINC000159670634 186134140 /nfs/dbraw/zinc/13/41/40/186134140.db2.gz QJVQPVKLISNNBR-CYBMUJFWSA-N 1 1 323.412 2.633 20 70 DFIDMO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000159731741 186137947 /nfs/dbraw/zinc/13/79/47/186137947.db2.gz LRHBHTHNFMVUIL-QGZVFWFLSA-N 1 1 322.412 2.623 20 70 DFIDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1coc(-c2ccccc2)n1 ZINC000159496008 398964964 /nfs/dbraw/zinc/96/49/64/398964964.db2.gz IOQJJDOXDNREDF-OAHLLOKOSA-N 1 1 311.385 2.556 20 70 DFIDMO COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159666400 398966601 /nfs/dbraw/zinc/96/66/01/398966601.db2.gz KGPFEPAYOOAFLC-RDJZCZTQSA-N 1 1 302.418 2.576 20 70 DFIDMO CCC[N@@H+](CCCCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000161458585 398976916 /nfs/dbraw/zinc/97/69/16/398976916.db2.gz APARDPZTEPERAQ-UHFFFAOYSA-N 1 1 308.447 2.595 20 70 DFIDMO CCc1nnc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)[nH]1 ZINC000160279233 197397709 /nfs/dbraw/zinc/39/77/09/197397709.db2.gz CUQYBTMVYADFHU-QGZVFWFLSA-N 1 1 316.405 2.625 20 70 DFIDMO O[C@@H]([C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1)C(F)(F)F ZINC000160100105 197385657 /nfs/dbraw/zinc/38/56/57/197385657.db2.gz ALOSBQNTXOXSHX-KGLIPLIRSA-N 1 1 301.283 2.565 20 70 DFIDMO O[C@@H]([C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1)C(F)(F)F ZINC000160100105 197385658 /nfs/dbraw/zinc/38/56/58/197385658.db2.gz ALOSBQNTXOXSHX-KGLIPLIRSA-N 1 1 301.283 2.565 20 70 DFIDMO NC(=O)CC1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000159773775 197363430 /nfs/dbraw/zinc/36/34/30/197363430.db2.gz CASXJVRKNRRILT-UHFFFAOYSA-N 1 1 315.442 2.898 20 70 DFIDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3oc(C)nc3c2)C1 ZINC000159462871 197354905 /nfs/dbraw/zinc/35/49/05/197354905.db2.gz SUIZASKGWXVSEA-CYBMUJFWSA-N 1 1 316.405 2.942 20 70 DFIDMO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)C[C@@H]1CCC[C@@H]1O ZINC000159451494 197354125 /nfs/dbraw/zinc/35/41/25/197354125.db2.gz ZBMQFGDXTFUOAV-WMZOPIPTSA-N 1 1 312.413 2.871 20 70 DFIDMO CCc1nnc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 ZINC000159417625 197352609 /nfs/dbraw/zinc/35/26/09/197352609.db2.gz OGPQSRGTTSJSRY-CABCVRRESA-N 1 1 318.396 2.594 20 70 DFIDMO CCc1nnc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 ZINC000159417625 197352611 /nfs/dbraw/zinc/35/26/11/197352611.db2.gz OGPQSRGTTSJSRY-CABCVRRESA-N 1 1 318.396 2.594 20 70 DFIDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](CCCO)CC(C)(C)C ZINC000217138912 296351706 /nfs/dbraw/zinc/35/17/06/296351706.db2.gz PPRUEWSULOQVLR-HZPDHXFCSA-N 1 1 312.498 2.754 20 70 DFIDMO C[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1C(F)(F)F ZINC000161331633 542728975 /nfs/dbraw/zinc/72/89/75/542728975.db2.gz SNMYNGNCTYUPLX-UHFFFAOYSA-N 1 1 323.380 2.962 20 70 DFIDMO CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000160789399 542724327 /nfs/dbraw/zinc/72/43/27/542724327.db2.gz UIKVKCXOVCHJJL-INMHGKMJSA-N 1 1 303.450 2.764 20 70 DFIDMO C[C@H](C(=O)N[C@@H]1CCCc2sccc21)[NH+]1CCSCC1 ZINC000160374401 425981089 /nfs/dbraw/zinc/98/10/89/425981089.db2.gz SAIZFVDZRRNYTK-DGCLKSJQSA-N 1 1 310.488 2.679 20 70 DFIDMO CC1=C(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCCO1 ZINC000160403472 425981970 /nfs/dbraw/zinc/98/19/70/425981970.db2.gz NKFCGXJMKAASFO-UHFFFAOYSA-N 1 1 302.418 2.709 20 70 DFIDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160447381 425983120 /nfs/dbraw/zinc/98/31/20/425983120.db2.gz ILJVXXSACTXSOF-AWEZNQCLSA-N 1 1 303.381 2.683 20 70 DFIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160534949 425986029 /nfs/dbraw/zinc/98/60/29/425986029.db2.gz VMMZMWVDKJNQCU-AEFFLSMTSA-N 1 1 316.493 2.892 20 70 DFIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160534949 425986033 /nfs/dbraw/zinc/98/60/33/425986033.db2.gz VMMZMWVDKJNQCU-AEFFLSMTSA-N 1 1 316.493 2.892 20 70 DFIDMO c1cc(CC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)ccn1 ZINC000160663442 425991272 /nfs/dbraw/zinc/99/12/72/425991272.db2.gz MHPMXMYEWNCTGC-INIZCTEOSA-N 1 1 311.433 2.779 20 70 DFIDMO c1cc(CC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)ccn1 ZINC000160663442 425991276 /nfs/dbraw/zinc/99/12/76/425991276.db2.gz MHPMXMYEWNCTGC-INIZCTEOSA-N 1 1 311.433 2.779 20 70 DFIDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160755476 425994487 /nfs/dbraw/zinc/99/44/87/425994487.db2.gz JVBPEDHGFYXBLV-UONOGXRCSA-N 1 1 321.440 2.742 20 70 DFIDMO C[C@@]1(CNc2cnc(C#N)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000160807677 425996277 /nfs/dbraw/zinc/99/62/77/425996277.db2.gz FAFWDMOUUSKFHD-SFHVURJKSA-N 1 1 307.401 2.815 20 70 DFIDMO CC[N@H+]1CC[C@@H](N(C)Cc2noc(-c3ccsc3)n2)[C@H](C)C1 ZINC000160902209 425999831 /nfs/dbraw/zinc/99/98/31/425999831.db2.gz RCBOGSJGMHOOOC-TZMCWYRMSA-N 1 1 320.462 2.960 20 70 DFIDMO COC(C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)OC ZINC000160881707 425999915 /nfs/dbraw/zinc/99/99/15/425999915.db2.gz QNFAGYKLQDNRKJ-UHFFFAOYSA-N 1 1 305.418 2.985 20 70 DFIDMO Cc1noc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC000160964031 426002471 /nfs/dbraw/zinc/00/24/71/426002471.db2.gz KNTZUQSEUWOWTR-UHFFFAOYSA-N 1 1 300.337 2.768 20 70 DFIDMO C=C(C)CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000161001495 426004041 /nfs/dbraw/zinc/00/40/41/426004041.db2.gz PMZAYBSJTWRCRG-GASCZTMLSA-N 1 1 302.418 2.602 20 70 DFIDMO C=C(C)CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000161001495 426004042 /nfs/dbraw/zinc/00/40/42/426004042.db2.gz PMZAYBSJTWRCRG-GASCZTMLSA-N 1 1 302.418 2.602 20 70 DFIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159577450 425963145 /nfs/dbraw/zinc/96/31/45/425963145.db2.gz KZTFYBFOOSWOGR-KDOFPFPSSA-N 1 1 309.413 2.834 20 70 DFIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cnc(-c2cccs2)s1 ZINC000159624578 425964102 /nfs/dbraw/zinc/96/41/02/425964102.db2.gz VDLOMKIENIERQO-QWRGUYRKSA-N 1 1 321.471 2.957 20 70 DFIDMO CCN1CC[C@@H]([NH2+]C[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854533 425968478 /nfs/dbraw/zinc/96/84/78/425968478.db2.gz ZLDXVJFBGIPANL-BFYDXBDKSA-N 1 1 321.534 2.815 20 70 DFIDMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159840357 425968978 /nfs/dbraw/zinc/96/89/78/425968978.db2.gz QOAWRWHUBYGQMZ-MAUKXSAKSA-N 1 1 317.477 2.879 20 70 DFIDMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159840357 425968985 /nfs/dbraw/zinc/96/89/85/425968985.db2.gz QOAWRWHUBYGQMZ-MAUKXSAKSA-N 1 1 317.477 2.879 20 70 DFIDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000159918053 425970221 /nfs/dbraw/zinc/97/02/21/425970221.db2.gz LFFOINGHFSGMJK-IAGOWNOFSA-N 1 1 318.461 2.797 20 70 DFIDMO C[C@H](C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919417 425970309 /nfs/dbraw/zinc/97/03/09/425970309.db2.gz YKXCVOJUKJMIDS-HPFXQQBRSA-N 1 1 301.478 2.756 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 ZINC000159909103 425970895 /nfs/dbraw/zinc/97/08/95/425970895.db2.gz WKAICLMQJYFKTI-AWEZNQCLSA-N 1 1 309.479 2.664 20 70 DFIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159992882 425971400 /nfs/dbraw/zinc/97/14/00/425971400.db2.gz AVWYKUMWPCTGSD-HIFRSBDPSA-N 1 1 321.431 2.581 20 70 DFIDMO CCN(C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160012022 425972475 /nfs/dbraw/zinc/97/24/75/425972475.db2.gz XRRCLXOFEWLPDC-WMLDXEAASA-N 1 1 301.434 2.701 20 70 DFIDMO CCC[N@H+]1CCCN(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000160012379 425973447 /nfs/dbraw/zinc/97/34/47/425973447.db2.gz CMHVIKFRUQYPGV-UHFFFAOYSA-N 1 1 307.413 2.761 20 70 DFIDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160254318 425977720 /nfs/dbraw/zinc/97/77/20/425977720.db2.gz FOFYVVXDIMPVBB-WMLDXEAASA-N 1 1 314.433 2.535 20 70 DFIDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160254318 425977722 /nfs/dbraw/zinc/97/77/22/425977722.db2.gz FOFYVVXDIMPVBB-WMLDXEAASA-N 1 1 314.433 2.535 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000161428620 426023346 /nfs/dbraw/zinc/02/33/46/426023346.db2.gz VZEITPNSKBKIQE-HNNXBMFYSA-N 1 1 300.406 2.686 20 70 DFIDMO OCCN(CCC[NH+]1CCCCC1)[C@H]1CCc2ccccc21 ZINC000161429535 426023441 /nfs/dbraw/zinc/02/34/41/426023441.db2.gz XVCPMIJLEFAXFR-IBGZPJMESA-N 1 1 302.462 2.844 20 70 DFIDMO OCC[N@H+](CCCN1CCCCC1)[C@H]1CCc2ccccc21 ZINC000161429535 426023444 /nfs/dbraw/zinc/02/34/44/426023444.db2.gz XVCPMIJLEFAXFR-IBGZPJMESA-N 1 1 302.462 2.844 20 70 DFIDMO OCC[N@@H+](CCCN1CCCCC1)[C@H]1CCc2ccccc21 ZINC000161429535 426023445 /nfs/dbraw/zinc/02/34/45/426023445.db2.gz XVCPMIJLEFAXFR-IBGZPJMESA-N 1 1 302.462 2.844 20 70 DFIDMO CC[C@@H](C)NC(=O)c1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000161086298 426008043 /nfs/dbraw/zinc/00/80/43/426008043.db2.gz BLKCATVLLWAODY-HDMKZQKVSA-N 1 1 317.477 2.645 20 70 DFIDMO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000161086298 426008051 /nfs/dbraw/zinc/00/80/51/426008051.db2.gz BLKCATVLLWAODY-HDMKZQKVSA-N 1 1 317.477 2.645 20 70 DFIDMO COc1ccc(COCCC[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000161077794 426008178 /nfs/dbraw/zinc/00/81/78/426008178.db2.gz DAIZODFKFWCUCC-YJBOKZPZSA-N 1 1 306.450 2.532 20 70 DFIDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000161095469 426008916 /nfs/dbraw/zinc/00/89/16/426008916.db2.gz SEPIALXPGADMIB-BZNIZROVSA-N 1 1 303.381 2.766 20 70 DFIDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccnn2C(C)C)c1 ZINC000161175775 426011606 /nfs/dbraw/zinc/01/16/06/426011606.db2.gz XYVTVXBABBKDOK-UHFFFAOYSA-N 1 1 314.433 2.846 20 70 DFIDMO CCC[N@@H+](CCO)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000161199222 426012454 /nfs/dbraw/zinc/01/24/54/426012454.db2.gz CJUBKNDRODHIDS-UHFFFAOYSA-N 1 1 312.417 2.668 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000161306807 426018787 /nfs/dbraw/zinc/01/87/87/426018787.db2.gz WLXDFIYBIVSYKP-ZDUSSCGKSA-N 1 1 306.360 2.956 20 70 DFIDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000161333991 426019809 /nfs/dbraw/zinc/01/98/09/426019809.db2.gz HWKANBXJJOYESS-TUKIKUTGSA-N 1 1 320.383 2.669 20 70 DFIDMO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C(N)=O)cc1 ZINC000159541795 295378312 /nfs/dbraw/zinc/37/83/12/295378312.db2.gz UYGAFCBFRJGGGM-MSOLQXFVSA-N 1 1 323.371 2.891 20 70 DFIDMO C[N@H+](CC(=O)NCCCC1CCCCC1)C[C@H]1CCC[C@@H]1O ZINC000159554635 295378371 /nfs/dbraw/zinc/37/83/71/295378371.db2.gz QYPMMOLFQOLVCC-SJORKVTESA-N 1 1 310.482 2.556 20 70 DFIDMO COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159672416 295380206 /nfs/dbraw/zinc/38/02/06/295380206.db2.gz LODQQKCJXXKGCU-BBRMVZONSA-N 1 1 316.401 2.676 20 70 DFIDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159767398 295381524 /nfs/dbraw/zinc/38/15/24/295381524.db2.gz UZTWEKDDWFNOAK-CJNGLKHVSA-N 1 1 322.405 2.975 20 70 DFIDMO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000159785931 295381717 /nfs/dbraw/zinc/38/17/17/295381717.db2.gz SKXXRCKWGZZCMU-HYVNUMGLSA-N 1 1 318.486 2.828 20 70 DFIDMO CN(C)c1cccc(C[N@H+](C)CC(=O)NC2CCCCC2)c1 ZINC000159773835 295381860 /nfs/dbraw/zinc/38/18/60/295381860.db2.gz RDBVZUGYSRBUOX-UHFFFAOYSA-N 1 1 303.450 2.633 20 70 DFIDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)NC2CCCCC2)c1 ZINC000159773835 295381862 /nfs/dbraw/zinc/38/18/62/295381862.db2.gz RDBVZUGYSRBUOX-UHFFFAOYSA-N 1 1 303.450 2.633 20 70 DFIDMO CNC(=O)c1cccc(C[N@@H+](CCc2nccs2)C(C)C)c1 ZINC000159805381 295382104 /nfs/dbraw/zinc/38/21/04/295382104.db2.gz RTIBNQNZKBMQPA-UHFFFAOYSA-N 1 1 317.458 2.956 20 70 DFIDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COCc2ccco2)n1 ZINC000160107769 295386429 /nfs/dbraw/zinc/38/64/29/295386429.db2.gz HPROUQYPQHABQY-MAUKXSAKSA-N 1 1 316.401 2.698 20 70 DFIDMO CC(C)C[C@@H](C)CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160343061 295389863 /nfs/dbraw/zinc/38/98/63/295389863.db2.gz FDOJJPBBZICWHD-MRXNPFEDSA-N 1 1 312.498 2.876 20 70 DFIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)ccc1F ZINC000160598403 295393285 /nfs/dbraw/zinc/39/32/85/295393285.db2.gz DUSVMRQTJWXQAF-OAHLLOKOSA-N 1 1 310.388 2.744 20 70 DFIDMO CCC(CC)n1ncc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000160665138 295394318 /nfs/dbraw/zinc/39/43/18/295394318.db2.gz KFMOPHPKWDPBMR-CQSZACIVSA-N 1 1 318.465 2.767 20 70 DFIDMO CCCC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1)C(=O)OC ZINC000161045178 295398022 /nfs/dbraw/zinc/39/80/22/295398022.db2.gz AKPFORYXRYUHFL-KBXIAJHMSA-N 1 1 313.438 2.676 20 70 DFIDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1 ZINC000161133008 295399006 /nfs/dbraw/zinc/39/90/06/295399006.db2.gz RFQHRFIGCPXMIM-LESCRADOSA-N 1 1 313.449 2.791 20 70 DFIDMO CC[N@H+](Cc1cc(Br)ccc1O)CC(OC)OC ZINC000161335056 521286874 /nfs/dbraw/zinc/28/68/74/521286874.db2.gz LGPFVBOKISDGQV-UHFFFAOYSA-N 1 1 318.211 2.596 20 70 DFIDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000160314930 521489946 /nfs/dbraw/zinc/48/99/46/521489946.db2.gz XXHCYRLBLWXVJH-AWEZNQCLSA-N 1 1 322.449 2.573 20 70 DFIDMO 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C[C@H]1CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000160069548 295386177 /nfs/dbraw/zinc/38/61/77/295386177.db2.gz XRMZWQGFMWMIKG-JKSUJKDBSA-N 1 1 310.482 2.630 20 70 DFIDMO CCCCn1ncc(NC(=O)NCC[N@@H+](CC)C(C)C)c1C ZINC000160088002 295386601 /nfs/dbraw/zinc/38/66/01/295386601.db2.gz XLMUJFPJGCWJTO-UHFFFAOYSA-N 1 1 309.458 2.843 20 70 DFIDMO C[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccsc1 ZINC000160303313 295389447 /nfs/dbraw/zinc/38/94/47/295389447.db2.gz KBOPGNASKHHVKQ-CQSZACIVSA-N 1 1 324.490 2.668 20 70 DFIDMO CC(C)c1[nH+]ccn1CCC(=O)N(C)c1ccc2c(c1)OCO2 ZINC000160393268 295390549 /nfs/dbraw/zinc/39/05/49/295390549.db2.gz APVYEWBZLZPYEV-UHFFFAOYSA-N 1 1 315.373 2.788 20 70 DFIDMO CCCc1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1 ZINC000160404543 295390871 /nfs/dbraw/zinc/39/08/71/295390871.db2.gz WJMADRWHJSBDPI-CYBMUJFWSA-N 1 1 309.479 2.946 20 70 DFIDMO COCC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1 ZINC000160446410 295391279 /nfs/dbraw/zinc/39/12/79/295391279.db2.gz 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295394799 /nfs/dbraw/zinc/39/47/99/295394799.db2.gz YBNSNTJQSUACMF-AWEZNQCLSA-N 1 1 323.506 2.974 20 70 DFIDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160726126 295395063 /nfs/dbraw/zinc/39/50/63/295395063.db2.gz YBNSNTJQSUACMF-CQSZACIVSA-N 1 1 323.506 2.974 20 70 DFIDMO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccoc2)C1=O ZINC000160802128 295395397 /nfs/dbraw/zinc/39/53/97/295395397.db2.gz ABUDAPMBGDJHKY-OCCSQVGLSA-N 1 1 300.358 2.744 20 70 DFIDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2CCOCC2)C1 ZINC000160853641 295396031 /nfs/dbraw/zinc/39/60/31/295396031.db2.gz OTTNVMRYUONKQL-HOTGVXAUSA-N 1 1 310.482 2.533 20 70 DFIDMO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(C)o2)c1C ZINC000160858025 295396061 /nfs/dbraw/zinc/39/60/61/295396061.db2.gz OCPGOJAKSRQHEG-UHFFFAOYSA-N 1 1 319.405 2.596 20 70 DFIDMO COC(=O)CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C)o2)c1C ZINC000160858025 295396063 /nfs/dbraw/zinc/39/60/63/295396063.db2.gz OCPGOJAKSRQHEG-UHFFFAOYSA-N 1 1 319.405 2.596 20 70 DFIDMO Cc1noc(C)c1[C@H](C)CC(=O)N(C)CCCn1cc[nH+]c1C ZINC000161022648 295397782 /nfs/dbraw/zinc/39/77/82/295397782.db2.gz WMFPVCDHJUSIKI-GFCCVEGCSA-N 1 1 318.421 2.839 20 70 DFIDMO CC[N@@H+](Cc1ccccn1)Cc1cc(OC)c(OC)cc1O ZINC000160380240 521394845 /nfs/dbraw/zinc/39/48/45/521394845.db2.gz KMJBBPZKEIHHGW-UHFFFAOYSA-N 1 1 302.374 2.827 20 70 DFIDMO CN(C)[C@H](C[NH2+][C@@H]1CCCc2c1cnn2C)C1CCCCC1 ZINC000160421473 522090242 /nfs/dbraw/zinc/09/02/42/522090242.db2.gz URAPCYGQJFANEX-SJLPKXTDSA-N 1 1 304.482 2.898 20 70 DFIDMO CC[C@@H](COC)[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000160322741 522593604 /nfs/dbraw/zinc/59/36/04/522593604.db2.gz MWFCSIKDWKFKNE-FCEWJHQRSA-N 1 1 320.477 2.810 20 70 DFIDMO CN(CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160289979 522840635 /nfs/dbraw/zinc/84/06/35/522840635.db2.gz HNVSDOIGBHYUQV-IEBWSBKVSA-N 1 1 320.452 2.885 20 70 DFIDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2)n1 ZINC000160332985 524850154 /nfs/dbraw/zinc/85/01/54/524850154.db2.gz WSLRKVZVOSBSGV-LPHOPBHVSA-N 1 1 312.413 2.967 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1 ZINC000159670494 186133884 /nfs/dbraw/zinc/13/38/84/186133884.db2.gz QJVQPVKLISNNBR-ZDUSSCGKSA-N 1 1 323.412 2.633 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000159676878 186134787 /nfs/dbraw/zinc/13/47/87/186134787.db2.gz CNUNPKOEFNIKIM-UHFFFAOYSA-N 1 1 319.424 2.595 20 70 DFIDMO CCc1cccc(C)c1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159692017 186135765 /nfs/dbraw/zinc/13/57/65/186135765.db2.gz KUUXUXXNPGHZOQ-HOTGVXAUSA-N 1 1 304.434 2.589 20 70 DFIDMO CC(C)(C)OC(=O)NCCNc1cc[nH+]cc1Br ZINC000160166566 197390905 /nfs/dbraw/zinc/39/09/05/197390905.db2.gz WILOKYYQLLLQGR-UHFFFAOYSA-N 1 1 316.199 2.781 20 70 DFIDMO Cc1nc(CCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)sc1C ZINC000160093527 197385091 /nfs/dbraw/zinc/38/50/91/197385091.db2.gz YTLLVUYFQOCMRI-NTZNESFSSA-N 1 1 309.479 2.680 20 70 DFIDMO CC(C)(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CO)c1cccs1 ZINC000159974900 197378257 /nfs/dbraw/zinc/37/82/57/197378257.db2.gz RSNSZNWYRKTKBG-CZUORRHYSA-N 1 1 324.490 2.798 20 70 DFIDMO CC(C)(C)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CO)c1cccs1 ZINC000159974900 197378259 /nfs/dbraw/zinc/37/82/59/197378259.db2.gz RSNSZNWYRKTKBG-CZUORRHYSA-N 1 1 324.490 2.798 20 70 DFIDMO CCN(C(=O)C[N@H+]1CCCC[C@@H]1CO)[C@H](C)c1ccc(F)cc1 ZINC000159960544 197376740 /nfs/dbraw/zinc/37/67/40/197376740.db2.gz SDNOFIFFDMXLFI-RHSMWYFYSA-N 1 1 322.424 2.582 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(C)cc2SC)CC1 ZINC000159971798 197376785 /nfs/dbraw/zinc/37/67/85/197376785.db2.gz UTJZBTTZPPYQKE-UHFFFAOYSA-N 1 1 321.490 2.954 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000159958146 197375780 /nfs/dbraw/zinc/37/57/80/197375780.db2.gz GMWAKMZYTDRQGF-KRWDZBQOSA-N 1 1 318.465 2.558 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000159940697 197374767 /nfs/dbraw/zinc/37/47/67/197374767.db2.gz BBACEMUNJBRHEN-HZPDHXFCSA-N 1 1 303.450 2.916 20 70 DFIDMO CSc1ccc(OCCSCC[NH+]2CCOCC2)cc1 ZINC000159934441 197374785 /nfs/dbraw/zinc/37/47/85/197374785.db2.gz AIJKMBPPMFZWQX-UHFFFAOYSA-N 1 1 313.488 2.853 20 70 DFIDMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)on1 ZINC000159801683 197365426 /nfs/dbraw/zinc/36/54/26/197365426.db2.gz CXLXGMIJELRJRA-CYBMUJFWSA-N 1 1 316.405 2.508 20 70 DFIDMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)on1 ZINC000159801683 197365427 /nfs/dbraw/zinc/36/54/27/197365427.db2.gz CXLXGMIJELRJRA-CYBMUJFWSA-N 1 1 316.405 2.508 20 70 DFIDMO Cc1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)sc1C ZINC000159762003 197362930 /nfs/dbraw/zinc/36/29/30/197362930.db2.gz GLGLVFALLVTCTG-UHFFFAOYSA-N 1 1 324.490 2.795 20 70 DFIDMO CC(C)CONC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000159712314 197361855 /nfs/dbraw/zinc/36/18/55/197361855.db2.gz LGGJVUCQHOFATP-UHFFFAOYSA-N 1 1 323.462 2.945 20 70 DFIDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)C[C@@H](C)O)cc1 ZINC000159527699 197360959 /nfs/dbraw/zinc/36/09/59/197360959.db2.gz 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197396298 /nfs/dbraw/zinc/39/62/98/197396298.db2.gz ACDVINIKFLNJSM-OFQRWUPVSA-N 1 1 304.409 2.699 20 70 DFIDMO CCCCn1ncc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1C ZINC000160150099 197389332 /nfs/dbraw/zinc/38/93/32/197389332.db2.gz QWLHQINZNIJJJJ-OAHLLOKOSA-N 1 1 319.453 2.694 20 70 DFIDMO Cc1cccc([C@@H](NC(=O)C[N@H+](C)C(C)C)c2ccccn2)c1 ZINC000160075319 197383460 /nfs/dbraw/zinc/38/34/60/197383460.db2.gz YNQNAAFBZXTKKM-LJQANCHMSA-N 1 1 311.429 2.936 20 70 DFIDMO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160098558 197385478 /nfs/dbraw/zinc/38/54/78/197385478.db2.gz FICVKWFINGTYIQ-CRAIPNDOSA-N 1 1 317.477 2.789 20 70 DFIDMO CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160098558 197385480 /nfs/dbraw/zinc/38/54/80/197385480.db2.gz FICVKWFINGTYIQ-CRAIPNDOSA-N 1 1 317.477 2.789 20 70 DFIDMO CCOC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160007990 197379726 /nfs/dbraw/zinc/37/97/26/197379726.db2.gz KJTCTJLPSQCKBQ-OAHLLOKOSA-N 1 1 319.449 2.572 20 70 DFIDMO CCN(C(=O)C[N@H+]1CCCC[C@@H]1CO)[C@@H](C)c1ccc(F)cc1 ZINC000159960410 197377282 /nfs/dbraw/zinc/37/72/82/197377282.db2.gz SDNOFIFFDMXLFI-WMLDXEAASA-N 1 1 322.424 2.582 20 70 DFIDMO CN(c1cccnn1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000159892951 197372178 /nfs/dbraw/zinc/37/21/78/197372178.db2.gz XQLURZSANBYTOS-UHFFFAOYSA-N 1 1 324.403 2.568 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 ZINC000159888093 197370561 /nfs/dbraw/zinc/37/05/61/197370561.db2.gz LZYYKFZXPBQXDZ-ZDUSSCGKSA-N 1 1 309.479 2.725 20 70 DFIDMO COc1cc(CSCC[NH+]2CCOCC2)ccc1SC ZINC000159805496 197365734 /nfs/dbraw/zinc/36/57/34/197365734.db2.gz KCGHIOYWJYZSOK-UHFFFAOYSA-N 1 1 313.488 2.983 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)NCCc2csc(C(C)C)n2)CC1 ZINC000159801856 197365441 /nfs/dbraw/zinc/36/54/41/197365441.db2.gz FGBJAGQRWZRTML-UHFFFAOYSA-N 1 1 324.494 2.546 20 70 DFIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000159510286 197359951 /nfs/dbraw/zinc/35/99/51/197359951.db2.gz NQZZAWXVDTVIKC-MRXNPFEDSA-N 1 1 303.450 2.745 20 70 DFIDMO CCc1nnc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 ZINC000159417774 197352426 /nfs/dbraw/zinc/35/24/26/197352426.db2.gz OGPQSRGTTSJSRY-GJZGRUSLSA-N 1 1 318.396 2.594 20 70 DFIDMO CCc1nnc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)[nH]1 ZINC000159417774 197352428 /nfs/dbraw/zinc/35/24/28/197352428.db2.gz OGPQSRGTTSJSRY-GJZGRUSLSA-N 1 1 318.396 2.594 20 70 DFIDMO O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000159506182 296362484 /nfs/dbraw/zinc/36/24/84/296362484.db2.gz QMCAUZXMCAPGJO-HNNXBMFYSA-N 1 1 319.449 2.506 20 70 DFIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnn(C(C)C)c1 ZINC000159484081 542717586 /nfs/dbraw/zinc/71/75/86/542717586.db2.gz SDXGGYDELJQRNZ-UHFFFAOYSA-N 1 1 304.398 2.523 20 70 DFIDMO CCCCn1ncc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1C ZINC000159876139 542720005 /nfs/dbraw/zinc/72/00/05/542720005.db2.gz AGRBSMSWUTZMIQ-HNNXBMFYSA-N 1 1 319.453 2.597 20 70 DFIDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC=CC1 ZINC000159885705 542720298 /nfs/dbraw/zinc/72/02/98/542720298.db2.gz JDRJMZITADWRIT-UHFFFAOYSA-N 1 1 301.434 2.915 20 70 DFIDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1csc(Br)c1 ZINC000217404414 542877228 /nfs/dbraw/zinc/87/72/28/542877228.db2.gz SHMYPBFOHGWOGT-VIFPVBQESA-N 1 1 319.268 2.971 20 70 DFIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000159589702 145219813 /nfs/dbraw/zinc/21/98/13/145219813.db2.gz KVJRGNFZKNEKHX-KOLCDFICSA-N 1 1 318.314 2.930 20 70 DFIDMO Cc1cc(F)ccc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160355312 425981118 /nfs/dbraw/zinc/98/11/18/425981118.db2.gz XOHGJCCIDKNTRL-UHFFFAOYSA-N 1 1 322.424 2.565 20 70 DFIDMO C[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1cccc(F)c1 ZINC000160458813 425982829 /nfs/dbraw/zinc/98/28/29/425982829.db2.gz VWMHHJMUTWXRNJ-UHFFFAOYSA-N 1 1 321.421 2.751 20 70 DFIDMO C[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1cccc(F)c1 ZINC000160458813 425982832 /nfs/dbraw/zinc/98/28/32/425982832.db2.gz VWMHHJMUTWXRNJ-UHFFFAOYSA-N 1 1 321.421 2.751 20 70 DFIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160607002 425990115 /nfs/dbraw/zinc/99/01/15/425990115.db2.gz BENSAZOIPJEOJZ-KGLIPLIRSA-N 1 1 307.507 2.884 20 70 DFIDMO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000160653615 425990760 /nfs/dbraw/zinc/99/07/60/425990760.db2.gz FYZJVZJNJOXUEK-KRWDZBQOSA-N 1 1 309.475 2.907 20 70 DFIDMO c1cc(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)ccn1 ZINC000160663310 425990899 /nfs/dbraw/zinc/99/08/99/425990899.db2.gz MHPMXMYEWNCTGC-MRXNPFEDSA-N 1 1 311.433 2.779 20 70 DFIDMO c1cc(CC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)ccn1 ZINC000160663310 425990902 /nfs/dbraw/zinc/99/09/02/425990902.db2.gz MHPMXMYEWNCTGC-MRXNPFEDSA-N 1 1 311.433 2.779 20 70 DFIDMO CC[NH+]1CC[C@@H](NC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999129 /nfs/dbraw/zinc/99/91/29/425999129.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 1 1 303.494 2.827 20 70 DFIDMO CC[NH+]1CC[C@@H](NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999132 /nfs/dbraw/zinc/99/91/32/425999132.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 1 1 303.494 2.827 20 70 DFIDMO CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999134 /nfs/dbraw/zinc/99/91/34/425999134.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 1 1 303.494 2.827 20 70 DFIDMO c1nnc([C@H]2CCC[N@@H+](Cc3nc4ccccc4[nH]3)C2)n1C1CC1 ZINC000160890444 426000599 /nfs/dbraw/zinc/00/05/99/426000599.db2.gz OZPKTLNGCZMYFA-ZDUSSCGKSA-N 1 1 322.416 2.869 20 70 DFIDMO c1nnc([C@H]2CCC[N@H+](Cc3nc4ccccc4[nH]3)C2)n1C1CC1 ZINC000160890444 426000603 /nfs/dbraw/zinc/00/06/03/426000603.db2.gz OZPKTLNGCZMYFA-ZDUSSCGKSA-N 1 1 322.416 2.869 20 70 DFIDMO O=C(c1cncc(F)c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000159388995 425958668 /nfs/dbraw/zinc/95/86/68/425958668.db2.gz JLQHPZNXXKOPDN-INIZCTEOSA-N 1 1 311.360 2.846 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2c(C)nc3ccccn32)C1 ZINC000159441429 425960755 /nfs/dbraw/zinc/96/07/55/425960755.db2.gz JQLWVNGTSZVPFQ-HNNXBMFYSA-N 1 1 324.432 2.634 20 70 DFIDMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OC(C)C ZINC000159532761 425961360 /nfs/dbraw/zinc/96/13/60/425961360.db2.gz YHXDDJKGUNXNNU-HIFRSBDPSA-N 1 1 320.433 2.568 20 70 DFIDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000159577813 425963065 /nfs/dbraw/zinc/96/30/65/425963065.db2.gz KZTFYBFOOSWOGR-KBXCAEBGSA-N 1 1 309.413 2.834 20 70 DFIDMO CC(C)[N@H+](CCOCC1CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159670167 425965120 /nfs/dbraw/zinc/96/51/20/425965120.db2.gz OGMWVDCICJBULY-UHFFFAOYSA-N 1 1 315.417 2.560 20 70 DFIDMO CC(C)[N@@H+](CCOCC1CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159670167 425965122 /nfs/dbraw/zinc/96/51/22/425965122.db2.gz OGMWVDCICJBULY-UHFFFAOYSA-N 1 1 315.417 2.560 20 70 DFIDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159781961 425968190 /nfs/dbraw/zinc/96/81/90/425968190.db2.gz WNRUQWPMZCFMIZ-HZPDHXFCSA-N 1 1 317.477 2.974 20 70 DFIDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159781961 425968192 /nfs/dbraw/zinc/96/81/92/425968192.db2.gz WNRUQWPMZCFMIZ-HZPDHXFCSA-N 1 1 317.477 2.974 20 70 DFIDMO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000161023921 426005255 /nfs/dbraw/zinc/00/52/55/426005255.db2.gz QBBYATNAMKWQFF-BZPMIXESSA-N 1 1 323.234 2.707 20 70 DFIDMO CCCS(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160018709 425972423 /nfs/dbraw/zinc/97/24/23/425972423.db2.gz DXIORVWYKARHHM-WBVHZDCISA-N 1 1 324.490 2.711 20 70 DFIDMO CC[C@H](C)c1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)on1 ZINC000160011165 425972533 /nfs/dbraw/zinc/97/25/33/425972533.db2.gz ZQFDLDMIGYVHCA-ZDUSSCGKSA-N 1 1 305.422 2.889 20 70 DFIDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160020912 425973361 /nfs/dbraw/zinc/97/33/61/425973361.db2.gz VUFMAVJNVKWCCK-KRWDZBQOSA-N 1 1 301.434 2.952 20 70 DFIDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160020912 425973363 /nfs/dbraw/zinc/97/33/63/425973363.db2.gz VUFMAVJNVKWCCK-KRWDZBQOSA-N 1 1 301.434 2.952 20 70 DFIDMO C#CCCCCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000160292967 425978122 /nfs/dbraw/zinc/97/81/22/425978122.db2.gz ZWGQHCDSHHZNDW-UHFFFAOYSA-N 1 1 313.445 2.538 20 70 DFIDMO C(CN1CCC(OC[C@@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000161405437 426023310 /nfs/dbraw/zinc/02/33/10/426023310.db2.gz LPQBHWTZILTMBA-SFHVURJKSA-N 1 1 310.482 2.522 20 70 DFIDMO OCCN(CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000161429644 426024060 /nfs/dbraw/zinc/02/40/60/426024060.db2.gz XVCPMIJLEFAXFR-LJQANCHMSA-N 1 1 302.462 2.844 20 70 DFIDMO OCC[N@H+](CCCN1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000161429644 426024063 /nfs/dbraw/zinc/02/40/63/426024063.db2.gz XVCPMIJLEFAXFR-LJQANCHMSA-N 1 1 302.462 2.844 20 70 DFIDMO OCC[N@@H+](CCCN1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000161429644 426024065 /nfs/dbraw/zinc/02/40/65/426024065.db2.gz XVCPMIJLEFAXFR-LJQANCHMSA-N 1 1 302.462 2.844 20 70 DFIDMO CCc1ccccc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000161458526 426024410 /nfs/dbraw/zinc/02/44/10/426024410.db2.gz FRKIQFVPKCNUNA-QGZVFWFLSA-N 1 1 318.461 2.726 20 70 DFIDMO CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000161086432 426007588 /nfs/dbraw/zinc/00/75/88/426007588.db2.gz BLKCATVLLWAODY-RLFYNMQTSA-N 1 1 317.477 2.645 20 70 DFIDMO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000161086432 426007596 /nfs/dbraw/zinc/00/75/96/426007596.db2.gz BLKCATVLLWAODY-RLFYNMQTSA-N 1 1 317.477 2.645 20 70 DFIDMO COC(=O)c1cc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)s1 ZINC000161136298 426010009 /nfs/dbraw/zinc/01/00/09/426010009.db2.gz ACFQAIPHRNEBBM-PBHICJAKSA-N 1 1 323.458 2.970 20 70 DFIDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)NCc1ccccc1C ZINC000161180817 426013006 /nfs/dbraw/zinc/01/30/06/426013006.db2.gz INWYUGOHAUWFNP-MRXNPFEDSA-N 1 1 311.429 2.917 20 70 DFIDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)NCc1ccccc1C ZINC000161180817 426013009 /nfs/dbraw/zinc/01/30/09/426013009.db2.gz INWYUGOHAUWFNP-MRXNPFEDSA-N 1 1 311.429 2.917 20 70 DFIDMO CCC[N@@H+](CCO)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000161232233 426013838 /nfs/dbraw/zinc/01/38/38/426013838.db2.gz CJYZIZBGDAZODR-UHFFFAOYSA-N 1 1 303.349 2.891 20 70 DFIDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161208511 426014162 /nfs/dbraw/zinc/01/41/62/426014162.db2.gz LZADTTAVMHYXKF-ZDUSSCGKSA-N 1 1 318.295 2.730 20 70 DFIDMO CO[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000161267444 426016184 /nfs/dbraw/zinc/01/61/84/426016184.db2.gz JXSVPFPLYPKPQV-RBUKOAKNSA-N 1 1 324.424 2.889 20 70 DFIDMO CO[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000161267444 426016185 /nfs/dbraw/zinc/01/61/85/426016185.db2.gz JXSVPFPLYPKPQV-RBUKOAKNSA-N 1 1 324.424 2.889 20 70 DFIDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161270622 426016395 /nfs/dbraw/zinc/01/63/95/426016395.db2.gz GDXNSSNPSAMATA-AWEZNQCLSA-N 1 1 315.377 2.586 20 70 DFIDMO CC(C)CCn1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)n1 ZINC000161312784 426018531 /nfs/dbraw/zinc/01/85/31/426018531.db2.gz ABMMXRROMGAMFZ-HNNXBMFYSA-N 1 1 319.453 2.631 20 70 DFIDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000161334142 426020139 /nfs/dbraw/zinc/02/01/39/426020139.db2.gz HWKANBXJJOYESS-NILFDRSVSA-N 1 1 320.383 2.669 20 70 DFIDMO Fc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161396117 426022140 /nfs/dbraw/zinc/02/21/40/426022140.db2.gz VQASMWPRSZNKMA-CQSZACIVSA-N 1 1 300.381 2.743 20 70 DFIDMO CCOC(=O)[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000218094767 426565235 /nfs/dbraw/zinc/56/52/35/426565235.db2.gz QNQSHPLPFJDBIJ-ZWKOTPCHSA-N 1 1 316.445 2.536 20 70 DFIDMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000218094767 426565242 /nfs/dbraw/zinc/56/52/42/426565242.db2.gz QNQSHPLPFJDBIJ-ZWKOTPCHSA-N 1 1 316.445 2.536 20 70 DFIDMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000218094767 426565246 /nfs/dbraw/zinc/56/52/46/426565246.db2.gz QNQSHPLPFJDBIJ-ZWKOTPCHSA-N 1 1 316.445 2.536 20 70 DFIDMO C[C@@H]([NH2+]Cc1c[nH]cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176960 426566334 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