smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)Nc1ccc(C)c(NC(=O)c2[nH]cnc2C)c1 ZINC000952976318 721530457 /nfs/dbraw/zinc/53/04/57/721530457.db2.gz ZGFZXWUNFUCRSR-UHFFFAOYSA-N 0 1 302.334 1.864 50 0 DDAAMN CC(C)N1C(=O)C2(CCCCC2)[C@H]1C(=O)N1CCCN(C)CC1 ZINC000581821558 761720874 /nfs/dbraw/zinc/72/08/74/761720874.db2.gz GJUQPYWVDRUTEH-OAHLLOKOSA-N 0 1 321.465 1.720 50 0 DDAAMN O=C(c1ccc(Cl)cn1)N1CCSC[C@H]1c1nn[nH]n1 ZINC000585091546 771942936 /nfs/dbraw/zinc/94/29/36/771942936.db2.gz FEEOUDJQPGEIGJ-VIFPVBQESA-N 0 1 310.770 1.178 50 0 DDAAMN C[C@@H]1CCC[C@@H](CCN(C)C)N1C(=O)CCS(C)(=O)=O ZINC000585125808 771957100 /nfs/dbraw/zinc/95/71/00/771957100.db2.gz GJZPLCQKXPHISU-OLZOCXBDSA-N 0 1 304.456 1.142 50 0 DDAAMN Cc1nc(NCCC[N@H+]2CCC[C@@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000952860530 775589546 /nfs/dbraw/zinc/58/95/46/775589546.db2.gz PUNQROVLNGXGIM-SNVBAGLBSA-N 0 1 300.790 1.403 50 0 DDAAMN CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(C)c3)[nH]n2)c1C ZINC000095480150 185373624 /nfs/dbraw/zinc/37/36/24/185373624.db2.gz VNAOOJVOYRYESZ-UHFFFAOYSA-N 0 1 313.365 1.896 50 0 DDAAMN O=C(NCCc1cnc[nH]1)c1cccc(Nc2ncccn2)c1 ZINC000095480649 185373702 /nfs/dbraw/zinc/37/37/02/185373702.db2.gz XDGYWVQPZSWZIE-UHFFFAOYSA-N 0 1 308.345 1.916 50 0 DDAAMN CNC(=O)c1ccc(CN2CCO[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000078892427 185124051 /nfs/dbraw/zinc/12/40/51/185124051.db2.gz GVJBQHWEYGAOJP-AWEZNQCLSA-N 0 1 315.377 1.046 50 0 DDAAMN CN1CCN(C)[C@H](CNC(=O)NCCCC2CCCCC2)C1 ZINC000078925043 185129882 /nfs/dbraw/zinc/12/98/82/185129882.db2.gz KLPSLYODPPGVGR-MRXNPFEDSA-N 0 1 310.486 1.892 50 0 DDAAMN Cc1nnc(SCCNC(=O)CCc2c(C)nn(C)c2C)[nH]1 ZINC000082096566 192355827 /nfs/dbraw/zinc/35/58/27/192355827.db2.gz CIPAAZISVYATBP-UHFFFAOYSA-N 0 1 322.438 1.305 50 0 DDAAMN CCN1CC[C@]2(CN(C(=O)c3cc[nH]c3)CCN2C)CCC1=O ZINC000095392026 185351846 /nfs/dbraw/zinc/35/18/46/185351846.db2.gz JYWUBFHCXJXVKV-KRWDZBQOSA-N 0 1 318.421 1.174 50 0 DDAAMN CCOC[C@H](O)CN1CCN([C@@H](C)c2ccccc2OC)CC1 ZINC000095396837 185353102 /nfs/dbraw/zinc/35/31/02/185353102.db2.gz FGRPGGYSDNDAOB-JKSUJKDBSA-N 0 1 322.449 1.771 50 0 DDAAMN CCc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)n[nH]1 ZINC000095415392 185358847 /nfs/dbraw/zinc/35/88/47/185358847.db2.gz OOLXDDSEJYVVEO-QWHCGFSZSA-N 0 1 313.423 1.400 50 0 DDAAMN O=C([O-])[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082148135 192362547 /nfs/dbraw/zinc/36/25/47/192362547.db2.gz AZLUGDRIJZPQJV-OAHLLOKOSA-N 0 1 303.406 1.843 50 0 DDAAMN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCCN(C)CC1 ZINC000095442121 185366626 /nfs/dbraw/zinc/36/66/26/185366626.db2.gz CQJINMPELDAENB-HNNXBMFYSA-N 0 1 318.421 1.000 50 0 DDAAMN Cn1cc(Cl)c(CN2CCCC[C@@H]2c2[nH]ncc2C(N)=O)n1 ZINC000685940026 539564175 /nfs/dbraw/zinc/56/41/75/539564175.db2.gz RIWDGHVULMNCMN-GFCCVEGCSA-N 0 1 322.800 1.623 50 0 DDAAMN Cc1ccoc1C(=O)N1CCC2(C[C@H](C(=O)[O-])[N@@H+](C)C2)CC1 ZINC000072168455 191066933 /nfs/dbraw/zinc/06/69/33/191066933.db2.gz IAKZDILDCDEVOZ-GFCCVEGCSA-N 0 1 306.362 1.599 50 0 DDAAMN NC(=O)[C@H]1CCCN1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000072319279 191120896 /nfs/dbraw/zinc/12/08/96/191120896.db2.gz UWJCXGCHBLFHMF-UONOGXRCSA-N 0 1 312.797 1.167 50 0 DDAAMN Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000072412211 191155999 /nfs/dbraw/zinc/15/59/99/191155999.db2.gz AYUMUEHOEUHGHY-ZDUSSCGKSA-N 0 1 321.425 1.065 50 0 DDAAMN CC(C)c1cnc(CN(C)[C@@H]2CCN(CCn3cncn3)C2)o1 ZINC000076047874 353393316 /nfs/dbraw/zinc/39/33/16/353393316.db2.gz BTGFCOVFGLHCBD-CQSZACIVSA-N 0 1 318.425 1.596 50 0 DDAAMN COCc1cc(C(=O)N2CCO[C@@H](c3n[nH]c(C)n3)C2)c(C)o1 ZINC000078881379 353536481 /nfs/dbraw/zinc/53/64/81/353536481.db2.gz YXUYHAIGNIGBFV-CYBMUJFWSA-N 0 1 320.349 1.375 50 0 DDAAMN CCCc1cc(C(=O)N2CCC(C3(C)OCCO3)CC2)n[nH]1 ZINC000079073758 353549374 /nfs/dbraw/zinc/54/93/74/353549374.db2.gz QRVWVZYTJAECQF-UHFFFAOYSA-N 0 1 307.394 1.977 50 0 DDAAMN COC[C@H](C)N1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000079015665 353546874 /nfs/dbraw/zinc/54/68/74/353546874.db2.gz UZZOARVRUIRKHP-AWEZNQCLSA-N 0 1 305.422 1.798 50 0 DDAAMN Cc1csc(CCNC(=O)N2CCc3nc(C)[nH]c3C2)n1 ZINC000584886256 354789185 /nfs/dbraw/zinc/78/91/85/354789185.db2.gz YATSYFITOQBSDG-UHFFFAOYSA-N 0 1 305.407 1.793 50 0 DDAAMN O=C(c1ccc(Cl)cc1F)N1CCOC[C@H]1c1nn[nH]n1 ZINC000585134173 354811351 /nfs/dbraw/zinc/81/13/51/354811351.db2.gz GPHCNZXVOWZPMB-JTQLQIEISA-N 0 1 311.704 1.206 50 0 DDAAMN O=C([C@H]1CC(=O)OC12CCCC2)N1CCC(c2nc[nH]n2)CC1 ZINC000584891507 354793173 /nfs/dbraw/zinc/79/31/73/354793173.db2.gz FSLNQOFMPKZZCA-GFCCVEGCSA-N 0 1 318.377 1.387 50 0 DDAAMN CC(C)c1nc(C(=O)N2CCNCC2)nn1-c1ccccc1F ZINC000236823896 202026853 /nfs/dbraw/zinc/02/68/53/202026853.db2.gz VOFKKKOIWUJELY-UHFFFAOYSA-N 0 1 317.368 1.575 50 0 DDAAMN CCCS(=O)(=O)c1ccccc1C(=O)N1CCN[C@@H](C)C1 ZINC000236822760 202027012 /nfs/dbraw/zinc/02/70/12/202027012.db2.gz LLCFCHLHQKFGMU-LBPRGKRZSA-N 0 1 310.419 1.304 50 0 DDAAMN Cc1cc(-c2noc(CCC(=O)N3CCNCC3)n2)ccc1F ZINC000237885767 202379648 /nfs/dbraw/zinc/37/96/48/202379648.db2.gz OCTZCXHHDUZGFP-UHFFFAOYSA-N 0 1 318.352 1.549 50 0 DDAAMN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCNCC1 ZINC000237889085 202381152 /nfs/dbraw/zinc/38/11/52/202381152.db2.gz YNPQCFIEAJMJRZ-UHFFFAOYSA-N 0 1 314.389 1.490 50 0 DDAAMN CC(C)N(CC1CCC1)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000193628832 201089352 /nfs/dbraw/zinc/08/93/52/201089352.db2.gz GMPPCBXCLBIZGD-HNNXBMFYSA-N 0 1 310.486 1.842 50 0 DDAAMN COCC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(=O)c(OC)c[nH]2)C1 ZINC000091950906 193130487 /nfs/dbraw/zinc/13/04/87/193130487.db2.gz AZYBRWYDPILOQB-INIZCTEOSA-N 0 1 324.377 1.087 50 0 DDAAMN CCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1 ZINC000017286199 182081163 /nfs/dbraw/zinc/08/11/63/182081163.db2.gz DDHIBXXGRAWTOF-UHFFFAOYSA-N 0 1 321.421 1.369 50 0 DDAAMN CCN1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000019361270 182118412 /nfs/dbraw/zinc/11/84/12/182118412.db2.gz BUTVGCHSCQGEIQ-CQSZACIVSA-N 0 1 324.421 1.081 50 0 DDAAMN C[C@@H]1CN(CCC(=O)Nc2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000019791866 182149867 /nfs/dbraw/zinc/14/98/67/182149867.db2.gz AFJZQAUFRDQTGO-CHWSQXEVSA-N 0 1 320.389 1.896 50 0 DDAAMN CN1CCN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1CCO ZINC000020998786 182258871 /nfs/dbraw/zinc/25/88/71/182258871.db2.gz PPMJOPXJAGHPIB-LBPRGKRZSA-N 0 1 312.797 1.567 50 0 DDAAMN CC(=O)c1cccc(OC[C@@H](O)CN2CCC[C@@H](CO)C2)c1 ZINC000023387331 182359192 /nfs/dbraw/zinc/35/91/92/182359192.db2.gz UZYFOVADTIITFO-ZBFHGGJFSA-N 0 1 307.390 1.333 50 0 DDAAMN O=C(NCCN1CCOCC1)c1ccc(CN2CCCCC2)o1 ZINC000027979674 182501420 /nfs/dbraw/zinc/50/14/20/182501420.db2.gz QZRSZORAGDLJLE-UHFFFAOYSA-N 0 1 321.421 1.328 50 0 DDAAMN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(N)=O)C3)n[nH]2)cc1 ZINC000040489404 183078953 /nfs/dbraw/zinc/07/89/53/183078953.db2.gz XLLAUYUCSMENEG-CYBMUJFWSA-N 0 1 312.373 1.723 50 0 DDAAMN CCc1c(C(=O)N2CCNCC2)nnn1-c1cccc(Cl)c1 ZINC000159345981 197346756 /nfs/dbraw/zinc/34/67/56/197346756.db2.gz NLTYTBKFQRVERV-UHFFFAOYSA-N 0 1 319.796 1.529 50 0 DDAAMN CC1(C)C(=O)NCCN1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000110708389 194353078 /nfs/dbraw/zinc/35/30/78/194353078.db2.gz WKDJNXXPVVYEBI-UHFFFAOYSA-N 0 1 316.336 1.566 50 0 DDAAMN Cc1ccc(C)c([C@@H](C)NCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000057456760 184038940 /nfs/dbraw/zinc/03/89/40/184038940.db2.gz JNEKDFZFRVTCIW-ZIAGYGMSSA-N 0 1 324.446 1.257 50 0 DDAAMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cccc3cc[nH]c32)C1 ZINC000285877486 218686064 /nfs/dbraw/zinc/68/60/64/218686064.db2.gz RRKHWTVAHPPWBP-YPMHNXCESA-N 0 1 311.345 1.888 50 0 DDAAMN O=c1[nH]c2ccccc2n1C1CCN(CCn2cccn2)CC1 ZINC000064139590 184292840 /nfs/dbraw/zinc/29/28/40/184292840.db2.gz QXCYIYUSAIHWTD-UHFFFAOYSA-N 0 1 311.389 1.863 50 0 DDAAMN COCC1(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CCC1 ZINC000065469469 184350644 /nfs/dbraw/zinc/35/06/44/184350644.db2.gz NYKHDOOUQJXPIB-UHFFFAOYSA-N 0 1 300.362 1.905 50 0 DDAAMN COCC1(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CCC1 ZINC000065469469 184350646 /nfs/dbraw/zinc/35/06/46/184350646.db2.gz 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/nfs/dbraw/zinc/73/45/58/406734558.db2.gz KEYUOEGHGUUZDX-UHFFFAOYSA-N 0 1 319.449 1.858 50 0 DDAAMN COc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1F ZINC000007045338 406747621 /nfs/dbraw/zinc/74/76/21/406747621.db2.gz COCVYCFLENGEGU-UHFFFAOYSA-N 0 1 308.338 1.764 50 0 DDAAMN CN(Cc1ccco1)C(=O)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000069741382 406766754 /nfs/dbraw/zinc/76/67/54/406766754.db2.gz MOYMQNDMLJAZGX-CQSZACIVSA-N 0 1 317.393 1.242 50 0 DDAAMN C[C@@H]1CCCCN1CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000003583451 406719435 /nfs/dbraw/zinc/71/94/35/406719435.db2.gz IUESDCGZFQIJJY-GFCCVEGCSA-N 0 1 307.369 1.755 50 0 DDAAMN c1csc(CCN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000069814578 406775939 /nfs/dbraw/zinc/77/59/39/406775939.db2.gz KYQVRFYEKGGYFN-UHFFFAOYSA-N 0 1 314.418 1.551 50 0 DDAAMN Cc1nc2ccc(NC(=O)CSc3nncn3C)cc2[nH]1 ZINC000012324068 406840483 /nfs/dbraw/zinc/84/04/83/406840483.db2.gz SHRIQQOLNBQCLN-UHFFFAOYSA-N 0 1 302.363 1.731 50 0 DDAAMN Cc1cccc([C@@H]2CCCN2CC(=O)N2CCNC(=O)C2)c1 ZINC000071818427 406846654 /nfs/dbraw/zinc/84/66/54/406846654.db2.gz JYDXULQXSPKPIZ-HNNXBMFYSA-N 0 1 301.390 1.090 50 0 DDAAMN CCOc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1 ZINC000071867468 406856378 /nfs/dbraw/zinc/85/63/78/406856378.db2.gz XCCTWTZSNYWJPO-AWEZNQCLSA-N 0 1 305.422 1.451 50 0 DDAAMN Cc1nc2n(n1)C(CC(=O)Nc1ccccc1Cl)C(=O)N2 ZINC000013727878 406867008 /nfs/dbraw/zinc/86/70/08/406867008.db2.gz HXIMZGUMLUBXGJ-JTQLQIEISA-N 0 1 305.725 1.762 50 0 DDAAMN O=C(CC(C1CC1)C1CC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000072269426 406877585 /nfs/dbraw/zinc/87/75/85/406877585.db2.gz IVSBWUKCDHAMIA-IRXDYDNUSA-N 0 1 306.450 1.870 50 0 DDAAMN O=C(CCCNC(=O)OCc1ccccc1)NCc1c[nH]nn1 ZINC000072311720 406881035 /nfs/dbraw/zinc/88/10/35/406881035.db2.gz MCNJFNNKHJOYRD-UHFFFAOYSA-N 0 1 317.349 1.128 50 0 DDAAMN Cc1ncc(C(=O)N2CCN(c3ncnc4ccccc43)CC2)[nH]1 ZINC000019791499 406886133 /nfs/dbraw/zinc/88/61/33/406886133.db2.gz INRZQAQBDIPTPZ-UHFFFAOYSA-N 0 1 322.372 1.624 50 0 DDAAMN O=C(c1cccc2c[nH]nc21)N1CCN(c2cnccn2)CC1 ZINC000025344083 406896674 /nfs/dbraw/zinc/89/66/74/406896674.db2.gz ITEOUQVQGBJVQI-UHFFFAOYSA-N 0 1 308.345 1.315 50 0 DDAAMN Cn1cc([C@@H]2CCCN2C[C@H](O)COc2ccccc2)cn1 ZINC000071797251 406844456 /nfs/dbraw/zinc/84/44/56/406844456.db2.gz BLBGYMHPSFCDNV-RDJZCZTQSA-N 0 1 301.390 1.997 50 0 DDAAMN CCn1c(C)cc(C(=O)N2CCO[C@H](c3n[nH]c(C)n3)C2)c1C ZINC000076045201 406951920 /nfs/dbraw/zinc/95/19/20/406951920.db2.gz UOTXIUWCLFHXDX-AWEZNQCLSA-N 0 1 317.393 1.765 50 0 DDAAMN Cc1nc([C@H]2CN(Cc3cn4ccsc4n3)CCO2)n[nH]1 ZINC000076048515 406951930 /nfs/dbraw/zinc/95/19/30/406951930.db2.gz IDDITJMXQQLPNL-LLVKDONJSA-N 0 1 304.379 1.396 50 0 DDAAMN O=C(Cc1c[nH]c2ccccc12)NCCCCN1CCOCC1 ZINC000048286112 407093599 /nfs/dbraw/zinc/09/35/99/407093599.db2.gz LGEXJUOTNCRLRB-UHFFFAOYSA-N 0 1 315.417 1.939 50 0 DDAAMN O=C(Cc1noc2ccccc21)NCCCCN1CCOCC1 ZINC000048286607 407093862 /nfs/dbraw/zinc/09/38/62/407093862.db2.gz ZDSXWWDVFVBDSR-UHFFFAOYSA-N 0 1 317.389 1.599 50 0 DDAAMN C[C@@H](Cn1ccnc1)NC(=O)NC[C@@H](c1ccsc1)N(C)C 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C[C@H](CN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1nn[nH]n1 ZINC000156528116 354219122 /nfs/dbraw/zinc/21/91/22/354219122.db2.gz ITSDYFDKZXTEFM-GIPNMCIBSA-N 0 1 301.350 1.326 50 0 DDAAMN CCCc1nc([C@H]2CN(CCOC[C@H]3CCCO3)CCO2)n[nH]1 ZINC000257366153 354389451 /nfs/dbraw/zinc/38/94/51/354389451.db2.gz LPEWDOPUWKGCLO-ZIAGYGMSSA-N 0 1 324.425 1.326 50 0 DDAAMN CCCc1n[nH]c([C@H]2CN(CCOC[C@H]3CCCO3)CCO2)n1 ZINC000257366153 354389454 /nfs/dbraw/zinc/38/94/54/354389454.db2.gz LPEWDOPUWKGCLO-ZIAGYGMSSA-N 0 1 324.425 1.326 50 0 DDAAMN C[C@H](CNC(=O)O[C@H]1CNOC1)N1CCc2ccccc2C1 ZINC000585137295 354813009 /nfs/dbraw/zinc/81/30/09/354813009.db2.gz QWPHOJQOPFVDTO-DOMZBBRYSA-N 0 1 305.378 1.063 50 0 DDAAMN CN1CCCC[C@@H](CNCc2nncn2-c2ccccc2)C1=O ZINC000585140282 354813984 /nfs/dbraw/zinc/81/39/84/354813984.db2.gz BRKHRSVEQRVSFU-AWEZNQCLSA-N 0 1 313.405 1.615 50 0 DDAAMN CCNC(=O)Cn1ccc(NC(=O)[C@H]2CCCCN2C(C)C)n1 ZINC000073499152 191320792 /nfs/dbraw/zinc/32/07/92/191320792.db2.gz ITOXTCATLMYCRC-CYBMUJFWSA-N 0 1 321.425 1.221 50 0 DDAAMN COCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cccc(C)c1 ZINC000005785882 181283499 /nfs/dbraw/zinc/28/34/99/181283499.db2.gz RLMQSWGSAGGKFT-CQSZACIVSA-N 0 1 304.346 1.813 50 0 DDAAMN CCc1nc(SCC(=O)N(C)Cc2nncn2C(C)C)n[nH]1 ZINC000091391508 193050354 /nfs/dbraw/zinc/05/03/54/193050354.db2.gz FUGKGTBDAAYQBN-UHFFFAOYSA-N 0 1 323.426 1.290 50 0 DDAAMN CCc1n[nH]c(SCC(=O)N(C)Cc2nncn2C(C)C)n1 ZINC000091391508 193050356 /nfs/dbraw/zinc/05/03/56/193050356.db2.gz FUGKGTBDAAYQBN-UHFFFAOYSA-N 0 1 323.426 1.290 50 0 DDAAMN COc1cccc(-c2cc(C(=O)N3CCCOCC3)n[nH]2)c1 ZINC000091492983 193063991 /nfs/dbraw/zinc/06/39/91/193063991.db2.gz HFOPLRVVQIAGQX-UHFFFAOYSA-N 0 1 301.346 1.948 50 0 DDAAMN CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)C1 ZINC000091620209 193080876 /nfs/dbraw/zinc/08/08/76/193080876.db2.gz USOWUJIUWNDNBX-LBPRGKRZSA-N 0 1 314.345 1.133 50 0 DDAAMN COCC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000091896643 193124176 /nfs/dbraw/zinc/12/41/76/193124176.db2.gz 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ZINC000069600152 406742643 /nfs/dbraw/zinc/74/26/43/406742643.db2.gz SGAGMOIPGORDIN-CYBMUJFWSA-N 0 1 317.393 1.998 50 0 DDAAMN c1coc([C@@H](CNc2ccc3nnnn3n2)N2CCCCC2)c1 ZINC000008724776 406792739 /nfs/dbraw/zinc/79/27/39/406792739.db2.gz WWQGSGJPVFRGKF-GFCCVEGCSA-N 0 1 313.365 1.751 50 0 DDAAMN CCOc1ccccc1NS(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000008844444 406798455 /nfs/dbraw/zinc/79/84/55/406798455.db2.gz LODWYXBFFGWGMB-JTQLQIEISA-N 0 1 319.404 1.014 50 0 DDAAMN COc1ccc(-c2nnc(NC(=O)c3ccno3)o2)cc1OC ZINC000010254164 406821032 /nfs/dbraw/zinc/82/10/32/406821032.db2.gz FLOKBETYHAXXJP-UHFFFAOYSA-N 0 1 316.273 1.994 50 0 DDAAMN O=C(c1ccccc1)N1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000012323700 406840222 /nfs/dbraw/zinc/84/02/22/406840222.db2.gz WQTDUSJIJHKVQE-UHFFFAOYSA-N 0 1 308.345 1.315 50 0 DDAAMN O=C(CN[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCNC(=O)C1 ZINC000071856401 406852838 /nfs/dbraw/zinc/85/28/38/406852838.db2.gz JEDKAMCHKZYBQC-MRXNPFEDSA-N 0 1 321.808 1.339 50 0 DDAAMN CC[C@H]1CN(c2ncnc3ccsc32)CCN1C[C@@H](C)O ZINC000071859508 406854065 /nfs/dbraw/zinc/85/40/65/406854065.db2.gz AUIAPNJTCHSAFW-NEPJUHHUSA-N 0 1 306.435 1.973 50 0 DDAAMN CCCS(=O)(=O)c1ccccc1C(=O)NCCCN(C)C ZINC000012865303 406854149 /nfs/dbraw/zinc/85/41/49/406854149.db2.gz SKNSTCUNLNKCOA-UHFFFAOYSA-N 0 1 312.435 1.552 50 0 DDAAMN COCCN(C)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 ZINC000071857137 406854251 /nfs/dbraw/zinc/85/42/51/406854251.db2.gz XUTLIKYDJSUJKP-UHFFFAOYSA-N 0 1 324.400 1.688 50 0 DDAAMN CC(=O)c1cccc(NC(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c1 ZINC000072306034 406880491 /nfs/dbraw/zinc/88/04/91/406880491.db2.gz APTPLQQFBVJTEU-HZPDHXFCSA-N 0 1 317.389 1.562 50 0 DDAAMN CCCc1c(C)[nH]c2nn(-c3nc(C)cc(C)n3)c(=O)c-2c1O ZINC000018063685 406885035 /nfs/dbraw/zinc/88/50/35/406885035.db2.gz WTBOPVSOQZZDRN-UHFFFAOYSA-N 0 1 313.361 1.675 50 0 DDAAMN C[C@H](N[C@@H](C)c1ccc2c(c1)NC(=O)CO2)C(=O)N1CCCC1 ZINC000027034209 406907981 /nfs/dbraw/zinc/90/79/81/406907981.db2.gz NMDMAUJZYNTZNA-RYUDHWBXSA-N 0 1 317.389 1.679 50 0 DDAAMN CCOc1ccccc1NC(=O)CC1C(=O)Nc2nc(C)nn21 ZINC000031814077 406942429 /nfs/dbraw/zinc/94/24/29/406942429.db2.gz CDZKCMRYRKAVQM-LLVKDONJSA-N 0 1 315.333 1.507 50 0 DDAAMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)c3cccs3)CCO2)n[nH]1 ZINC000076044686 406951067 /nfs/dbraw/zinc/95/10/67/406951067.db2.gz RKSUBNXKOAUUCE-ONGXEEELSA-N 0 1 306.391 1.878 50 0 DDAAMN CC(C)(C)c1nc([C@H]2CN(C(=O)C3=COCCC3)CCO2)n[nH]1 ZINC000076046150 406951906 /nfs/dbraw/zinc/95/19/06/406951906.db2.gz JGDGXTTXFOXJPP-GFCCVEGCSA-N 0 1 320.393 1.696 50 0 DDAAMN CC(C)(C)c1nnc([C@H]2CN(C(=O)C3=COCCC3)CCO2)[nH]1 ZINC000076046150 406951908 /nfs/dbraw/zinc/95/19/08/406951908.db2.gz JGDGXTTXFOXJPP-GFCCVEGCSA-N 0 1 320.393 1.696 50 0 DDAAMN CC[C@H](CO)N1CCN(c2ncnc3ccc(F)cc32)CC1 ZINC000078524236 407032147 /nfs/dbraw/zinc/03/21/47/407032147.db2.gz OJEUMHIIAQITNC-CYBMUJFWSA-N 0 1 304.369 1.662 50 0 DDAAMN Cc1cc(NC(=O)CN2CCN(C)C[C@@H]2C)n(C(C)(C)C)n1 ZINC000089591609 407140943 /nfs/dbraw/zinc/14/09/43/407140943.db2.gz 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/nfs/dbraw/zinc/31/69/88/407316988.db2.gz MNTHZDXNIOHWMW-SNVBAGLBSA-N 0 1 323.422 1.397 50 0 DDAAMN O=C(c1cc(C2CC2)[nH]n1)N1CCCN(C(=O)C2CCC2)CC1 ZINC000067587295 407276521 /nfs/dbraw/zinc/27/65/21/407276521.db2.gz NKEXOHGLUJMYBK-UHFFFAOYSA-N 0 1 316.405 1.762 50 0 DDAAMN CNC(=O)c1[nH]nc2c1CN(Cc1cc(CC(C)C)[nH]n1)CC2 ZINC000097076323 407277562 /nfs/dbraw/zinc/27/75/62/407277562.db2.gz AXLLEXBEOYDDSN-UHFFFAOYSA-N 0 1 316.409 1.249 50 0 DDAAMN O=C(CSc1c[nH]nn1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000097227675 407288584 /nfs/dbraw/zinc/28/85/84/407288584.db2.gz IIBITAILOMVFPL-GFCCVEGCSA-N 0 1 322.365 1.636 50 0 DDAAMN CN(CCN1CCCC1)S(=O)(=O)Cc1ccccc1F ZINC000103162173 407332871 /nfs/dbraw/zinc/33/28/71/407332871.db2.gz HEPOFPTYNGWSIE-UHFFFAOYSA-N 0 1 300.399 1.683 50 0 DDAAMN CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])cc1 ZINC000097711780 407301476 /nfs/dbraw/zinc/30/14/76/407301476.db2.gz CFARCUUXVCEAMP-CQSZACIVSA-N 0 1 306.362 1.251 50 0 DDAAMN C[C@H](Cc1cnccn1)N(C)Cc1cnc(N2CCCC2)nc1 ZINC000097759423 407302146 /nfs/dbraw/zinc/30/21/46/407302146.db2.gz YYHMSIJEIICCDC-CQSZACIVSA-N 0 1 312.421 1.930 50 0 DDAAMN COCc1cc(CN(C)C(=O)Cc2cn3ccsc3n2)n[nH]1 ZINC000097773241 407302353 /nfs/dbraw/zinc/30/23/53/407302353.db2.gz PWVIVPWVLZBHAV-UHFFFAOYSA-N 0 1 319.390 1.466 50 0 DDAAMN CC(C)Cn1ncc2cc(C(=O)N3CCNC[C@H]3C)cnc21 ZINC000124855158 407371903 /nfs/dbraw/zinc/37/19/03/407371903.db2.gz AAGWOBFONFOCBV-GFCCVEGCSA-N 0 1 301.394 1.521 50 0 DDAAMN Cc1ccc(Nc2cccc(C(=O)N3CCNC[C@@H]3C)c2)nn1 ZINC000125737044 407396476 /nfs/dbraw/zinc/39/64/76/407396476.db2.gz OZGRFTKDSLHGHR-ZDUSSCGKSA-N 0 1 311.389 1.963 50 0 DDAAMN C[C@H]1CNCCN1C(=O)COc1cccc(Br)c1 ZINC000126483186 407414769 /nfs/dbraw/zinc/41/47/69/407414769.db2.gz INBQEPZIYYGZAL-JTQLQIEISA-N 0 1 313.195 1.648 50 0 DDAAMN CCNC(=O)[C@@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000215341046 407485464 /nfs/dbraw/zinc/48/54/64/407485464.db2.gz SOGKASBOZJXHDY-LLVKDONJSA-N 0 1 310.369 1.801 50 0 DDAAMN 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/nfs/dbraw/zinc/32/63/21/182326321.db2.gz PWWLHXZYVOOLJE-UHFFFAOYSA-N 0 1 301.379 1.694 50 0 DDAAMN CCc1n[nH]c(SCc2nnnn2Cc2ccccc2)n1 ZINC000022543446 182326322 /nfs/dbraw/zinc/32/63/22/182326322.db2.gz PWWLHXZYVOOLJE-UHFFFAOYSA-N 0 1 301.379 1.694 50 0 DDAAMN O=C1CCC(=O)N1CCSc1nc(-c2cccs2)n[nH]1 ZINC000023103652 182347607 /nfs/dbraw/zinc/34/76/07/182347607.db2.gz YUCJHKQHPJKJIZ-UHFFFAOYSA-N 0 1 308.388 1.774 50 0 DDAAMN Cc1ccn2cc(C(=O)NCCCCN3CCOCC3)nc2c1 ZINC000040541028 183097853 /nfs/dbraw/zinc/09/78/53/183097853.db2.gz ZPMSETGGTGFWRA-UHFFFAOYSA-N 0 1 316.405 1.485 50 0 DDAAMN CC(=O)N[C@H]1CCN(Cc2ccc3c(c2)OCCCCO3)C1 ZINC000333883011 249138083 /nfs/dbraw/zinc/13/80/83/249138083.db2.gz UZYDKLPSTHGEED-HNNXBMFYSA-N 0 1 304.390 1.948 50 0 DDAAMN CN1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1CCO ZINC000104356989 194001412 /nfs/dbraw/zinc/00/14/12/194001412.db2.gz UJOLATVATHJIQH-QGZVFWFLSA-N 0 1 318.396 1.510 50 0 DDAAMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(Cc2nc3ccccc3n2C)C1 ZINC000284467887 218040073 /nfs/dbraw/zinc/04/00/73/218040073.db2.gz DKVHJLUEIAAYEK-RISCZKNCSA-N 0 1 312.377 1.653 50 0 DDAAMN COc1ccccc1NC(=O)[C@H](Cc1cccnc1)c1nn[nH]n1 ZINC000057523555 184040738 /nfs/dbraw/zinc/04/07/38/184040738.db2.gz IDUXZWRVYFWETG-GFCCVEGCSA-N 0 1 324.344 1.568 50 0 DDAAMN COc1c(CNC[C@@H](O)COc2ccc(F)cc2)c(C)nn1C ZINC000058314906 184104739 /nfs/dbraw/zinc/10/47/39/184104739.db2.gz VINVTSQFLXEUFE-CYBMUJFWSA-N 0 1 323.368 1.406 50 0 DDAAMN Cc1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1nn[nH]n1 ZINC000065386319 184333150 /nfs/dbraw/zinc/33/31/50/184333150.db2.gz SPOKHGUOCHXPEA-NSHDSACASA-N 0 1 302.382 1.921 50 0 DDAAMN Cc1[nH]ncc1CCCNC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000065440544 184345288 /nfs/dbraw/zinc/34/52/88/184345288.db2.gz DEBXQAQYXBLTNT-HNNXBMFYSA-N 0 1 314.389 1.954 50 0 DDAAMN CC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)C1 ZINC000155264787 197037828 /nfs/dbraw/zinc/03/78/28/197037828.db2.gz GAEIQFXTXNFDGU-WMLDXEAASA-N 0 1 315.417 1.076 50 0 DDAAMN COc1c[nH]c(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1=O 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Cc1cn2nc(N3CCN(C[C@H](O)C(C)(C)C)CC3)sc2n1 ZINC000069624392 406745612 /nfs/dbraw/zinc/74/56/12/406745612.db2.gz MJYZGUIGBJQCNP-LBPRGKRZSA-N 0 1 323.466 1.628 50 0 DDAAMN Cc1cc(NC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)no1 ZINC000069771626 406769174 /nfs/dbraw/zinc/76/91/74/406769174.db2.gz TXHFBKMKSFLBIJ-UHFFFAOYSA-N 0 1 315.333 1.919 50 0 DDAAMN COc1c(CNC[C@@H](O)c2ccccc2OC)c(C)nn1C ZINC000069517812 406725314 /nfs/dbraw/zinc/72/53/14/406725314.db2.gz PQXBEANETMHXIP-CQSZACIVSA-N 0 1 305.378 1.569 50 0 DDAAMN COCCN1CCN(Cc2csc(NC(C)=O)n2)C[C@@H]1C ZINC000069840948 406777978 /nfs/dbraw/zinc/77/79/78/406777978.db2.gz UUJNHWVCZDOOCW-NSHDSACASA-N 0 1 312.439 1.254 50 0 DDAAMN COc1cc([C@H](C)NCc2c[nH]nc2C)ccc1OCCO ZINC000069817496 406776925 /nfs/dbraw/zinc/77/69/25/406776925.db2.gz WLUNYUWURLNPBN-NSHDSACASA-N 0 1 305.378 1.949 50 0 DDAAMN COc1ccc(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)cn1 ZINC000069925271 406791899 /nfs/dbraw/zinc/79/18/99/406791899.db2.gz FKHZGFLKGKNXIU-CQSZACIVSA-N 0 1 321.421 1.255 50 0 DDAAMN C[C@H]1CN(Cc2cnn(C)c2)CCN1C[C@H](O)c1ccccc1 ZINC000069981764 406800409 /nfs/dbraw/zinc/80/04/09/406800409.db2.gz MPWBVUHRTQUEEP-YJBOKZPZSA-N 0 1 314.433 1.660 50 0 DDAAMN CN(Cc1cccnc1)C[C@]1(O)CCCN(CC2CCC2)C1=O ZINC000011821903 406830192 /nfs/dbraw/zinc/83/01/92/406830192.db2.gz GHWSTLLSKKIAOF-GOSISDBHSA-N 0 1 317.433 1.667 50 0 DDAAMN CC(C)CNC(=O)CCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000012415301 406845764 /nfs/dbraw/zinc/84/57/64/406845764.db2.gz KEGRZKKNAXWNKU-UHFFFAOYSA-N 0 1 309.391 1.561 50 0 DDAAMN CCOc1ccccc1C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000071867490 406856828 /nfs/dbraw/zinc/85/68/28/406856828.db2.gz FMZCJQSBZMKXNQ-AWEZNQCLSA-N 0 1 305.422 1.451 50 0 DDAAMN Cn1cc2ncn([C@H]3CCN(Cc4ccccc4)C3)c(=O)c2n1 ZINC000072146130 406873984 /nfs/dbraw/zinc/87/39/84/406873984.db2.gz RWKULHZBHOUWRV-AWEZNQCLSA-N 0 1 309.373 1.577 50 0 DDAAMN CCCN1CCN(C(=O)[C@@H](NC(=O)c2ccco2)C(C)C)CC1 ZINC000025778003 406899914 /nfs/dbraw/zinc/89/99/14/406899914.db2.gz SCPUBMWERIKXPO-HNNXBMFYSA-N 0 1 321.421 1.588 50 0 DDAAMN O=C(CCNc1ncnc2[nH]cnc21)NCCc1ccccc1 ZINC000012296815 406840859 /nfs/dbraw/zinc/84/08/59/406840859.db2.gz TUTSJQCIYORKCG-UHFFFAOYSA-N 0 1 310.361 1.514 50 0 DDAAMN CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038358 406908020 /nfs/dbraw/zinc/90/80/20/406908020.db2.gz MHEJJZMCEGBFSX-NEPJUHHUSA-N 0 1 319.405 1.925 50 0 DDAAMN Cc1cc(CNC[C@]2(O)CCCN(CC(C)(C)C)C2=O)[nH]n1 ZINC000012446530 406845319 /nfs/dbraw/zinc/84/53/19/406845319.db2.gz WBAOZAOTQWWJEV-MRXNPFEDSA-N 0 1 308.426 1.207 50 0 DDAAMN Cc1cccc(C(=O)N(CCC(=O)N2CCNCC2)C(C)C)c1 ZINC000035421543 406972396 /nfs/dbraw/zinc/97/23/96/406972396.db2.gz QBTMNLNXFXRUFF-UHFFFAOYSA-N 0 1 317.433 1.668 50 0 DDAAMN Cc1ccc(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000075123974 406922471 /nfs/dbraw/zinc/92/24/71/406922471.db2.gz AREJWQQQEKZGNO-ZDUSSCGKSA-N 0 1 319.405 1.009 50 0 DDAAMN CCc1nc2n(n1)C(CC(=O)Nc1cc(C)ccc1C)C(=O)N2 ZINC000031813919 406942192 /nfs/dbraw/zinc/94/21/92/406942192.db2.gz 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Cc1ccc([C@H](C(=O)[O-])[N@@H+](C)CCN2CCOCC2)c(F)c1 ZINC000095365815 292238883 /nfs/dbraw/zinc/23/88/83/292238883.db2.gz LRCGNMFWROURRS-OAHLLOKOSA-N 0 1 310.369 1.524 50 0 DDAAMN Cc1cc(C)n2nc(S(=O)(=O)NC3CCCCC3)nc2n1 ZINC000000110912 406620810 /nfs/dbraw/zinc/62/08/10/406620810.db2.gz FJAVUUDZKAUOOH-UHFFFAOYSA-N 0 1 309.395 1.352 50 0 DDAAMN CN1CCN(C[C@@H](NC(=O)NC2CC2)c2ccccc2)CC1 ZINC000069222781 406691676 /nfs/dbraw/zinc/69/16/76/406691676.db2.gz QYCYVIYFZQQXPA-MRXNPFEDSA-N 0 1 302.422 1.437 50 0 DDAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000002636095 406693778 /nfs/dbraw/zinc/69/37/78/406693778.db2.gz MFQDXYAFOXRWDU-UHFFFAOYSA-N 0 1 306.343 1.595 50 0 DDAAMN CN(Cc1ccsc1)C(=O)CN1CCC[C@H]1Cn1cncn1 ZINC000069588223 406739773 /nfs/dbraw/zinc/73/97/73/406739773.db2.gz LPOQWMQIZQFXOR-AWEZNQCLSA-N 0 1 319.434 1.463 50 0 DDAAMN Cc1nnc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)[nH]1 ZINC000069776054 406771619 /nfs/dbraw/zinc/77/16/19/406771619.db2.gz IHDZNKXADSAFTK-CYBMUJFWSA-N 0 1 302.334 1.923 50 0 DDAAMN Cc1n[nH]c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n1 ZINC000069776054 406771623 /nfs/dbraw/zinc/77/16/23/406771623.db2.gz IHDZNKXADSAFTK-CYBMUJFWSA-N 0 1 302.334 1.923 50 0 DDAAMN Cc1nnc2n1CCN(C(=O)c1cc(-c3ccccc3C)[nH]n1)C2 ZINC000069493495 406723454 /nfs/dbraw/zinc/72/34/54/406723454.db2.gz STTGWIHWKNQVMC-UHFFFAOYSA-N 0 1 322.372 1.941 50 0 DDAAMN CCCC(=O)Nc1cc(C(=O)OC)ccc1N1CCN(C)CC1 ZINC000004412461 406727155 /nfs/dbraw/zinc/72/71/55/406727155.db2.gz VSFGJUPJOLMBNO-UHFFFAOYSA-N 0 1 319.405 1.964 50 0 DDAAMN CC[C@@H](C)C(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000069530665 406730851 /nfs/dbraw/zinc/73/08/51/406730851.db2.gz QWKMTWJCIUDKMF-GFCCVEGCSA-N 0 1 314.389 1.893 50 0 DDAAMN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(C)no3)n2)cc1 ZINC000069811261 406776299 /nfs/dbraw/zinc/77/62/99/406776299.db2.gz VACNDRPLJKLBMS-UHFFFAOYSA-N 0 1 313.317 1.707 50 0 DDAAMN COc1ccc(-c2nc(CNC(=O)c3cc(C)no3)n[nH]2)cc1 ZINC000069811261 406776306 /nfs/dbraw/zinc/77/63/06/406776306.db2.gz VACNDRPLJKLBMS-UHFFFAOYSA-N 0 1 313.317 1.707 50 0 DDAAMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C)CC1 ZINC000008318384 406784833 /nfs/dbraw/zinc/78/48/33/406784833.db2.gz HWDYEJFGAUSZNH-NSHDSACASA-N 0 1 302.378 1.915 50 0 DDAAMN C[C@@H]1CN(CCc2ccc(S(N)(=O)=O)cc2)CC(C)(C)O1 ZINC000069879303 406785961 /nfs/dbraw/zinc/78/59/61/406785961.db2.gz LWNJGHKSPIDQOE-GFCCVEGCSA-N 0 1 312.435 1.376 50 0 DDAAMN C[C@@H](O)[C@H]1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000070018784 406805060 /nfs/dbraw/zinc/80/50/60/406805060.db2.gz OHJXNYCJHFCMLT-TZMCWYRMSA-N 0 1 320.389 1.267 50 0 DDAAMN CC(C)(O)CN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000069950762 406796071 /nfs/dbraw/zinc/79/60/71/406796071.db2.gz PGNQUBTZBZSFCY-UHFFFAOYSA-N 0 1 316.445 1.633 50 0 DDAAMN CN(CC(=O)N1CCN(CC(C)(C)O)CC1)Cc1ccccc1 ZINC000069952101 406796236 /nfs/dbraw/zinc/79/62/36/406796236.db2.gz JQEHBEBSFOLUAY-UHFFFAOYSA-N 0 1 319.449 1.034 50 0 DDAAMN CSc1ccc(CN(C)[C@@H](C)C(=O)N2CCNC2=O)cc1 ZINC000012851388 406853947 /nfs/dbraw/zinc/85/39/47/406853947.db2.gz RMNGANFZCYHGMZ-NSHDSACASA-N 0 1 307.419 1.781 50 0 DDAAMN Cc1csc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)n1 ZINC000013520370 406862339 /nfs/dbraw/zinc/86/23/39/406862339.db2.gz ZGMYMAIZFHPIDZ-UHFFFAOYSA-N 0 1 322.375 1.142 50 0 DDAAMN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cnn[nH]2)ccn1 ZINC000071896611 406864247 /nfs/dbraw/zinc/86/42/47/406864247.db2.gz KOIFQWPNXNLXDU-LLVKDONJSA-N 0 1 303.366 1.943 50 0 DDAAMN COc1ccc(Cl)c(S(=O)(=O)NC2CCN(C)CC2)c1 ZINC000071908345 406867064 /nfs/dbraw/zinc/86/70/64/406867064.db2.gz IHCDTGINGXBMIF-UHFFFAOYSA-N 0 1 318.826 1.721 50 0 DDAAMN Cn1c2ccccc2nc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000071915603 406867814 /nfs/dbraw/zinc/86/78/14/406867814.db2.gz LKXJZZPYSPRKDE-OAHLLOKOSA-N 0 1 314.433 1.870 50 0 DDAAMN O=[S@](CCN1CCCC[C@@H]1Cn1cncn1)c1ccccc1 ZINC000072253343 406876826 /nfs/dbraw/zinc/87/68/26/406876826.db2.gz LTHBSYKGMPGDKO-QRQCRPRQSA-N 0 1 318.446 1.940 50 0 DDAAMN Cc1nn2cccnc2c1C(=O)OCc1ccc2[nH]nnc2c1 ZINC000072287039 406878086 /nfs/dbraw/zinc/87/80/86/406878086.db2.gz XYCQSZRNJARZOW-UHFFFAOYSA-N 0 1 308.301 1.666 50 0 DDAAMN Cc1nn2cccnc2c1C(=O)OCc1ccc2nn[nH]c2c1 ZINC000072287039 406878088 /nfs/dbraw/zinc/87/80/88/406878088.db2.gz XYCQSZRNJARZOW-UHFFFAOYSA-N 0 1 308.301 1.666 50 0 DDAAMN COC(=O)c1ccc2n[nH]c(I)c2c1 ZINC000014984252 406879020 /nfs/dbraw/zinc/87/90/20/406879020.db2.gz JQHYEHRKSDHNFC-UHFFFAOYSA-N 0 1 302.071 1.954 50 0 DDAAMN Cc1cc(N)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)n1 ZINC000026421883 406904786 /nfs/dbraw/zinc/90/47/86/406904786.db2.gz RDWVGUYMWFBMAK-UHFFFAOYSA-N 0 1 307.317 1.597 50 0 DDAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc[nH]c1=O ZINC000032721225 406951269 /nfs/dbraw/zinc/95/12/69/406951269.db2.gz PQCXUAGQWAZPLZ-AWEZNQCLSA-N 0 1 315.373 1.925 50 0 DDAAMN CN(C)[C@H](CNC(=O)/C=C/c1cnn(C)c1)c1cccc(F)c1 ZINC000032729461 406951394 /nfs/dbraw/zinc/95/13/94/406951394.db2.gz RXBMULXWBFPTQF-KXPUMZMLSA-N 0 1 316.380 1.992 50 0 DDAAMN CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2CN(C)CCN2C)c1 ZINC000077441798 406990945 /nfs/dbraw/zinc/99/09/45/406990945.db2.gz GIJWEXYUNJAFKF-CZUORRHYSA-N 0 1 320.437 1.761 50 0 DDAAMN CCN1CCN(c2ncnc3c2cnn3-c2ccccn2)CC1 ZINC000041529279 407007875 /nfs/dbraw/zinc/00/78/75/407007875.db2.gz HYMOGHAQPBLXAG-UHFFFAOYSA-N 0 1 309.377 1.352 50 0 DDAAMN CN1CCN(c2cc(CNC(=O)[C@@H]3CC=CCC3)ccn2)CC1 ZINC000048330597 407095038 /nfs/dbraw/zinc/09/50/38/407095038.db2.gz ONGQKTFGQXAGCU-MRXNPFEDSA-N 0 1 314.433 1.806 50 0 DDAAMN COc1cccc(NS(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408271 407120278 /nfs/dbraw/zinc/12/02/78/407120278.db2.gz DPUCJFTZESTIAL-UHFFFAOYSA-N 0 1 304.331 1.539 50 0 DDAAMN Cc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000089651159 407143298 /nfs/dbraw/zinc/14/32/98/407143298.db2.gz LWPDGAGGOKFPQE-JSGCOSHPSA-N 0 1 312.410 1.991 50 0 DDAAMN CCc1nc(SCC(=O)NCCCC[C@H]2CCCO2)n[nH]1 ZINC000055270273 407199506 /nfs/dbraw/zinc/19/95/06/407199506.db2.gz AGAMVEFLZGGTDS-NSHDSACASA-N 0 1 312.439 1.925 50 0 DDAAMN CCc1n[nH]c(SCC(=O)NCCCC[C@H]2CCCO2)n1 ZINC000055270273 407199509 /nfs/dbraw/zinc/19/95/09/407199509.db2.gz AGAMVEFLZGGTDS-NSHDSACASA-N 0 1 312.439 1.925 50 0 DDAAMN C[C@H](C(=O)NC1CCN(Cc2ccncc2)CC1)n1cncn1 ZINC000057167348 407213575 /nfs/dbraw/zinc/21/35/75/407213575.db2.gz AFZSBICVXXSKOL-CYBMUJFWSA-N 0 1 314.393 1.015 50 0 DDAAMN CC(C)N1CCN(c2ccc3nnc(C4CCC4)n3n2)CC1 ZINC000064555230 407238388 /nfs/dbraw/zinc/23/83/88/407238388.db2.gz INBRVUQFNPKHCQ-UHFFFAOYSA-N 0 1 300.410 1.922 50 0 DDAAMN CCN1CCN(c2ccc(C(=O)O[C@@H]3CCOC3)cc2)CC1 ZINC000097039080 407275861 /nfs/dbraw/zinc/27/58/61/407275861.db2.gz YJKSTXRTDYLUOG-MRXNPFEDSA-N 0 1 304.390 1.774 50 0 DDAAMN COc1ccccc1N1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC000067673390 407279208 /nfs/dbraw/zinc/27/92/08/407279208.db2.gz QNQBJGCNTKQAAR-ZDUSSCGKSA-N 0 1 314.389 1.698 50 0 DDAAMN Cc1cc(C[C@H](C)NC(=O)c2ccccc2-c2nnc[nH]2)[nH]n1 ZINC000067850379 407287289 /nfs/dbraw/zinc/28/72/89/407287289.db2.gz AHWGNAVTRXXGMG-JTQLQIEISA-N 0 1 310.361 1.864 50 0 DDAAMN O=C(Cc1nnn[n-]1)NC[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000067847424 407287615 /nfs/dbraw/zinc/28/76/15/407287615.db2.gz WCWKNXXCKQAHEY-ZDUSSCGKSA-N 0 1 320.441 1.293 50 0 DDAAMN O=C(Cc1nn[n-]n1)NC[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000067847424 407287617 /nfs/dbraw/zinc/28/76/17/407287617.db2.gz WCWKNXXCKQAHEY-ZDUSSCGKSA-N 0 1 320.441 1.293 50 0 DDAAMN O=C(Cc1nn[n-]n1)NC[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000067847424 407287619 /nfs/dbraw/zinc/28/76/19/407287619.db2.gz WCWKNXXCKQAHEY-ZDUSSCGKSA-N 0 1 320.441 1.293 50 0 DDAAMN CN1CCN(C(=O)c2ccccc2N2CCCC2)C[C@H](O)C1 ZINC000097674347 407301285 /nfs/dbraw/zinc/30/12/85/407301285.db2.gz UMKALLPITWHIEP-CQSZACIVSA-N 0 1 303.406 1.035 50 0 DDAAMN COc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 ZINC000101508947 407309547 /nfs/dbraw/zinc/30/95/47/407309547.db2.gz FMHZTEAQMFBNSQ-GDBMZVCRSA-N 0 1 322.320 1.988 50 0 DDAAMN CCN(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)CC1)c1ccccc1 ZINC000106868936 407364100 /nfs/dbraw/zinc/36/41/00/407364100.db2.gz CWVGZXSYEQCIHC-DOTOQJQBSA-N 0 1 319.449 1.204 50 0 DDAAMN CC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1C[C@H](C)O ZINC000107351160 407373040 /nfs/dbraw/zinc/37/30/40/407373040.db2.gz PGGYZSXEFHOUIK-XJKSGUPXSA-N 0 1 323.481 1.068 50 0 DDAAMN C[C@@H]1CNCCN1C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000124809198 407370106 /nfs/dbraw/zinc/37/01/06/407370106.db2.gz BWVZNJNJKBVBHJ-CYBMUJFWSA-N 0 1 317.389 1.013 50 0 DDAAMN CC(C)S(=O)(=O)c1ccc(C(=O)N2CCNC[C@H]2C)cc1 ZINC000125332755 407385375 /nfs/dbraw/zinc/38/53/75/407385375.db2.gz OQLOWALFRNTPBF-GFCCVEGCSA-N 0 1 310.419 1.303 50 0 DDAAMN CCC[C@H](NC(=O)C[C@H]1OCCc2ccccc21)c1nn[nH]n1 ZINC000170656056 407465787 /nfs/dbraw/zinc/46/57/87/407465787.db2.gz RGPPKROOYARCPC-UONOGXRCSA-N 0 1 315.377 1.861 50 0 DDAAMN Cc1occc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000257182714 407483918 /nfs/dbraw/zinc/48/39/18/407483918.db2.gz GUDWOPYTQPQIMT-DOTOQJQBSA-N 0 1 314.385 1.811 50 0 DDAAMN Cc1occc1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO ZINC000257182714 407483925 /nfs/dbraw/zinc/48/39/25/407483925.db2.gz GUDWOPYTQPQIMT-DOTOQJQBSA-N 0 1 314.385 1.811 50 0 DDAAMN CC(C)=CCC[C@H](C)CN1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000216226452 407495032 /nfs/dbraw/zinc/49/50/32/407495032.db2.gz YYTWOFWPZASILE-AWEZNQCLSA-N 0 1 305.426 1.945 50 0 DDAAMN COCC(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000253415920 407443512 /nfs/dbraw/zinc/44/35/12/407443512.db2.gz DOPKCNCMCMAKJQ-UHFFFAOYSA-N 0 1 305.378 1.049 50 0 DDAAMN COc1ccc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cn1 ZINC000170615538 407455190 /nfs/dbraw/zinc/45/51/90/407455190.db2.gz GOPMSRXCJOIHBS-VXGBXAGGSA-N 0 1 308.382 1.009 50 0 DDAAMN O=C(CCn1cnc2ccccc21)NCCSc1cn[nH]n1 ZINC000222282878 407554222 /nfs/dbraw/zinc/55/42/22/407554222.db2.gz JRHLEXRWFZCGKU-UHFFFAOYSA-N 0 1 316.390 1.453 50 0 DDAAMN C[N@H+]1CCCN(Cc2cc(Cl)ccc2OCC(=O)[O-])CC1 ZINC000222294424 407554780 /nfs/dbraw/zinc/55/47/80/407554780.db2.gz FOQITIRVSZYULB-UHFFFAOYSA-N 0 1 312.797 1.941 50 0 DDAAMN Cc1[nH]nc(CCC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C ZINC000222348030 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1.563 50 0 DDAAMN Cc1ccc2nc(CCC(=O)NCCn3ccnn3)[nH]c2c1C ZINC000534642811 334305994 /nfs/dbraw/zinc/30/59/94/334305994.db2.gz VRQLOHFQQGSERR-UHFFFAOYSA-N 0 1 312.377 1.520 50 0 DDAAMN C[C@H]1COCCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000096406893 337381796 /nfs/dbraw/zinc/38/17/96/337381796.db2.gz MXALHMVJRNTMAO-LBPRGKRZSA-N 0 1 309.385 1.818 50 0 DDAAMN CCOc1nnc(CN2CCO[C@@H](c3n[nH]c(CC)n3)C2)s1 ZINC000083830199 483985151 /nfs/dbraw/zinc/98/51/51/483985151.db2.gz VLEYSXSDKFGQAQ-SECBINFHSA-N 0 1 324.410 1.191 50 0 DDAAMN CCc1ncc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)[nH]1 ZINC000083817297 483985284 /nfs/dbraw/zinc/98/52/84/483985284.db2.gz ZEUXGMOEGZDXKM-UHFFFAOYSA-N 0 1 321.450 1.611 50 0 DDAAMN Cc1cccc(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000084210704 483991189 /nfs/dbraw/zinc/99/11/89/483991189.db2.gz SYZXJUYGRIEEPH-IAGOWNOFSA-N 0 1 302.418 1.595 50 0 DDAAMN Cc1nccc(C(=O)N2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)n1 ZINC000084290704 483993959 /nfs/dbraw/zinc/99/39/59/483993959.db2.gz NJBKSTYDSROGKV-GFCCVEGCSA-N 0 1 316.365 1.240 50 0 DDAAMN Cc1nccc(C(=O)N2CCO[C@@H](c3n[nH]c(C(C)C)n3)C2)n1 ZINC000084290704 483993965 /nfs/dbraw/zinc/99/39/65/483993965.db2.gz NJBKSTYDSROGKV-GFCCVEGCSA-N 0 1 316.365 1.240 50 0 DDAAMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1CCc1noc2ccccc21 ZINC000655931317 484032751 /nfs/dbraw/zinc/03/27/51/484032751.db2.gz YDODKRMVYGRIDW-MRXNPFEDSA-N 0 1 304.346 1.936 50 0 DDAAMN Cc1nonc1CC(=O)N[C@@H]1CCCN(Cc2cccs2)C1 ZINC000670444050 484833062 /nfs/dbraw/zinc/83/30/62/484833062.db2.gz NIRUKZIKIVMTTE-GFCCVEGCSA-N 0 1 320.418 1.763 50 0 DDAAMN Cc1ncccc1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000685570833 486567142 /nfs/dbraw/zinc/56/71/42/486567142.db2.gz KKQBBUZNXMVKMX-LLVKDONJSA-N 0 1 305.403 1.888 50 0 DDAAMN CCO[C@H]1CN(C)C[C@@H]1NC(=O)Cc1c(F)cccc1Cl ZINC000219426046 490697932 /nfs/dbraw/zinc/69/79/32/490697932.db2.gz HLFIZCBMKWMZDC-KBPBESRZSA-N 0 1 314.788 1.857 50 0 DDAAMN Cc1nnc2n1CC[C@@H](N(C)C(=O)c1cc(C3CC3)[nH]n1)CC2 ZINC000169790486 697346364 /nfs/dbraw/zinc/34/63/64/697346364.db2.gz IAAUAOYCILNGGT-LBPRGKRZSA-N 0 1 314.393 1.664 50 0 DDAAMN Clc1cccc(OCc2nc(CN3CCOCC3)n[nH]2)c1 ZINC000825586533 759250853 /nfs/dbraw/zinc/25/08/53/759250853.db2.gz HIWMLVJDYCHCBF-UHFFFAOYSA-N 0 1 308.769 1.869 50 0 DDAAMN O=C([O-])CCNC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000828013028 759449412 /nfs/dbraw/zinc/44/94/12/759449412.db2.gz KPJNVPGMJRXOGS-CYBMUJFWSA-N 0 1 321.377 1.131 50 0 DDAAMN CC(C)c1csc(C(=O)NCCN2CCCC[C@@H]2CO)n1 ZINC000828710917 759747021 /nfs/dbraw/zinc/74/70/21/759747021.db2.gz PTAJMMCYWDGLLB-GFCCVEGCSA-N 0 1 311.451 1.843 50 0 DDAAMN O=C(Cc1cccnc1)N1CCC[C@@H](CN2CCOCC2)CC1 ZINC000581787848 761700591 /nfs/dbraw/zinc/70/05/91/761700591.db2.gz FDLRSBRPBJNVES-MRXNPFEDSA-N 0 1 317.433 1.585 50 0 DDAAMN C[C@H](NCCN1CCc2ccccc2C1=O)c1ccc(=O)[nH]n1 ZINC000952845541 775569095 /nfs/dbraw/zinc/56/90/95/775569095.db2.gz RGUYQULPCCCDDU-LBPRGKRZSA-N 0 1 312.373 1.531 50 0 DDAAMN Cn1nc2c(c1CN1CCC([C@H](F)C(N)=O)CC1)CCCC2 ZINC000952847919 775570602 /nfs/dbraw/zinc/57/06/02/775570602.db2.gz SPNLZKXGHBADRY-HNNXBMFYSA-N 0 1 308.401 1.334 50 0 DDAAMN CCOCCC(=O)N1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095519369 185377107 /nfs/dbraw/zinc/37/71/07/185377107.db2.gz XBXFXJBZSNJXDI-INIZCTEOSA-N 0 1 306.406 1.118 50 0 DDAAMN O=C(NCc1cc2n(n1)CCNC2)[C@H]1CCc2ccccc2C1 ZINC000082097069 192355569 /nfs/dbraw/zinc/35/55/69/192355569.db2.gz LLEUNEMWNCUCCD-HNNXBMFYSA-N 0 1 310.401 1.408 50 0 DDAAMN COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1cc(C)n[nH]1 ZINC000095437824 185365345 /nfs/dbraw/zinc/36/53/45/185365345.db2.gz VSJSXRYCANSKRE-CQSZACIVSA-N 0 1 319.336 1.300 50 0 DDAAMN CNC(=O)[C@@H]1CCCN(C(=O)c2ccc3cncn3c2C)C1 ZINC000095465223 185371719 /nfs/dbraw/zinc/37/17/19/185371719.db2.gz MQJFWTTUAJNRCP-GFCCVEGCSA-N 0 1 300.362 1.241 50 0 DDAAMN O=C(NCc1n[nH]c(-c2ccncc2)n1)c1cccc2ccnn21 ZINC000072128429 191043499 /nfs/dbraw/zinc/04/34/99/191043499.db2.gz KZHHPMYFHOTKIX-UHFFFAOYSA-N 0 1 319.328 1.444 50 0 DDAAMN Cc1ccc(SCCCN(C)C(=O)[C@@H]2CNCCO2)cc1 ZINC000072157257 191060875 /nfs/dbraw/zinc/06/08/75/191060875.db2.gz DHTDTLUKNRLVKL-HNNXBMFYSA-N 0 1 308.447 1.924 50 0 DDAAMN CC(=O)N1CCN(CCN2CCO[C@H](C)C2)CC12CCCCC2 ZINC000253397463 186305954 /nfs/dbraw/zinc/30/59/54/186305954.db2.gz WBUQIAOBBIFGCB-MRXNPFEDSA-N 0 1 323.481 1.574 50 0 DDAAMN CCOCCN1CCN(Cc2ccccc2F)[C@H](CCO)C1 ZINC000072421224 191158565 /nfs/dbraw/zinc/15/85/65/191158565.db2.gz KRSMHEJNKKJNEM-MRXNPFEDSA-N 0 1 310.413 1.731 50 0 DDAAMN O=C(CCc1ccsc1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000072269575 353195572 /nfs/dbraw/zinc/19/55/72/353195572.db2.gz KMWWCCDLIVIDKP-LSDHHAIUSA-N 0 1 308.447 1.738 50 0 DDAAMN CC(C)(C)c1nc([C@H]2CN(C(=O)C3CC=CC3)CCO2)n[nH]1 ZINC000076046419 353393367 /nfs/dbraw/zinc/39/33/67/353393367.db2.gz IRKPRYHQPAOMTM-GFCCVEGCSA-N 0 1 304.394 1.968 50 0 DDAAMN CC(C)(C)c1nnc([C@H]2CN(C(=O)C3CC=CC3)CCO2)[nH]1 ZINC000076046419 353393371 /nfs/dbraw/zinc/39/33/71/353393371.db2.gz IRKPRYHQPAOMTM-GFCCVEGCSA-N 0 1 304.394 1.968 50 0 DDAAMN CC(C)c1ncc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)[nH]1 ZINC000076057231 353394756 /nfs/dbraw/zinc/39/47/56/353394756.db2.gz UNKAADCWERHLHG-GXTWGEPZSA-N 0 1 306.410 1.326 50 0 DDAAMN CC[C@H](C)n1nccc1NC(=O)[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000106908948 353942690 /nfs/dbraw/zinc/94/26/90/353942690.db2.gz QARSHDHZHWJSAH-IHRRRGAJSA-N 0 1 323.441 1.101 50 0 DDAAMN C[C@H](c1ccncc1)[N@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000106918676 353943429 /nfs/dbraw/zinc/94/34/29/353943429.db2.gz VQEXYIZVWOCXQF-AXAPSJFSSA-N 0 1 302.378 1.453 50 0 DDAAMN O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)NC1CCCCC1 ZINC000004249649 181087795 /nfs/dbraw/zinc/08/77/95/181087795.db2.gz HCTZTBYPYYWKIM-UHFFFAOYSA-N 0 1 307.379 1.187 50 0 DDAAMN COc1cc(OC)cc(N2CC[C@@H](NCc3ccc[nH]3)C2=O)c1 ZINC000190776721 354286606 /nfs/dbraw/zinc/28/66/06/354286606.db2.gz VWRRRVDAYZELEU-MRXNPFEDSA-N 0 1 315.373 1.927 50 0 DDAAMN Cc1nn[nH]c1C(=O)N1CCN(c2ncnc3ccccc32)CC1 ZINC000584887794 354790603 /nfs/dbraw/zinc/79/06/03/354790603.db2.gz RRYUHSCWPZPEDI-UHFFFAOYSA-N 0 1 323.360 1.019 50 0 DDAAMN Cc1[nH]ncc1CN(C)C(=O)c1ccc2c(c1)ncn(C)c2=O ZINC000584885595 354789775 /nfs/dbraw/zinc/78/97/75/354789775.db2.gz LAURRUQKUWXLRO-UHFFFAOYSA-N 0 1 311.345 1.237 50 0 DDAAMN CC(C)N1CCO[C@@H](CC(=O)N(C)CCCn2cccn2)C1 ZINC000584895852 354797311 /nfs/dbraw/zinc/79/73/11/354797311.db2.gz GTIBMFPCAAMJNB-HNNXBMFYSA-N 0 1 308.426 1.231 50 0 DDAAMN C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCN1 ZINC000188461746 200251147 /nfs/dbraw/zinc/25/11/47/200251147.db2.gz ITFZEBHCZVSIBT-SECBINFHSA-N 0 1 315.186 1.951 50 0 DDAAMN CC[C@H](C(=O)[O-])[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000191414242 200691889 /nfs/dbraw/zinc/69/18/89/200691889.db2.gz QNWCFJSINAVYJN-QWHCGFSZSA-N 0 1 309.341 1.885 50 0 DDAAMN CC(=O)c1ccc(N2CCN(c3ncnc4[nH]cnc43)CC2)cc1 ZINC000006620437 181361575 /nfs/dbraw/zinc/36/15/75/181361575.db2.gz SMMOCUDWYPQSRN-UHFFFAOYSA-N 0 1 322.372 1.882 50 0 DDAAMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(C)=O)c2)c[nH]1 ZINC000006779750 181386520 /nfs/dbraw/zinc/38/65/20/181386520.db2.gz ULXIOASYJSAAIJ-UHFFFAOYSA-N 0 1 322.342 1.805 50 0 DDAAMN CNc1cc(C[C@H]2COc3cc(OC)ccc3C2)nc(N)n1 ZINC000091441137 193056019 /nfs/dbraw/zinc/05/60/19/193056019.db2.gz BWVZHSVWXGZJSE-JTQLQIEISA-N 0 1 300.362 1.903 50 0 DDAAMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cn(-c2ccccc2)nn1 ZINC000095969394 284188011 /nfs/dbraw/zinc/18/80/11/284188011.db2.gz UDXWLZGFRIHGFQ-ZDUSSCGKSA-N 0 1 308.345 1.798 50 0 DDAAMN C[C@H](NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1Cl ZINC000021324081 182271926 /nfs/dbraw/zinc/27/19/26/182271926.db2.gz CNWHQRINSGXFFD-NSHDSACASA-N 0 1 323.824 1.715 50 0 DDAAMN CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000022030966 182305097 /nfs/dbraw/zinc/30/50/97/182305097.db2.gz JPTUSNGPADFLSF-HNNXBMFYSA-N 0 1 306.406 1.266 50 0 DDAAMN CSc1cccc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1 ZINC000022852877 182337353 /nfs/dbraw/zinc/33/73/53/182337353.db2.gz WCKPSNAPHSOFJZ-HOTGVXAUSA-N 0 1 308.447 1.286 50 0 DDAAMN CCc1nc2n(n1)C(CC(=O)Nc1ccccc1OC)C(=O)N2 ZINC000031813328 182624922 /nfs/dbraw/zinc/62/49/22/182624922.db2.gz DPSPNVONFZPGLR-SNVBAGLBSA-N 0 1 315.333 1.371 50 0 DDAAMN COCCN(CCOC)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000040082786 183032084 /nfs/dbraw/zinc/03/20/84/183032084.db2.gz QUNLVTMHPMPKMN-UHFFFAOYSA-N 0 1 321.352 1.951 50 0 DDAAMN Cc1nn(-c2ccccc2)nc1C(=O)NCCN1CCCCC1 ZINC000040107520 183036190 /nfs/dbraw/zinc/03/61/90/183036190.db2.gz JCBWPWKNGQPLIU-UHFFFAOYSA-N 0 1 313.405 1.791 50 0 DDAAMN CN(C)CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000042741621 183303618 /nfs/dbraw/zinc/30/36/18/183303618.db2.gz CSGGHLOGUYZFOC-UHFFFAOYSA-N 0 1 315.417 1.021 50 0 DDAAMN CCn1cc(NC(=O)NCC(C)(C)N2CCN(C)CC2)cn1 ZINC000043645405 183376845 /nfs/dbraw/zinc/37/68/45/183376845.db2.gz FQVYLLCDJRCWKN-UHFFFAOYSA-N 0 1 308.430 1.051 50 0 DDAAMN CN(Cc1ccccc1Br)C(=O)[C@H]1CNCCO1 ZINC000043709640 183382587 /nfs/dbraw/zinc/38/25/87/183382587.db2.gz PYZSXSCFANZGMP-GFCCVEGCSA-N 0 1 313.195 1.396 50 0 DDAAMN COc1cccc([C@@H](CNC(=O)c2ccc(=O)[nH]n2)N(C)C)c1 ZINC000057288622 184032337 /nfs/dbraw/zinc/03/23/37/184032337.db2.gz YRPYALQEIQWHBK-CQSZACIVSA-N 0 1 316.361 1.224 50 0 DDAAMN Cc1c(NC(=O)[C@H](C)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000000031 406615042 /nfs/dbraw/zinc/61/50/42/406615042.db2.gz UQNCVOXEVRELFR-LBPRGKRZSA-N 0 1 302.378 1.373 50 0 in-man DDAAMN CC(C)(O)CN1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000069775174 406770429 /nfs/dbraw/zinc/77/04/29/406770429.db2.gz IGQSYXTUQXWVRF-UHFFFAOYSA-N 0 1 315.421 1.101 50 0 DDAAMN O=C(CC(F)(F)F)NCCNC(=O)c1n[nH]c2ccccc21 ZINC000069527571 406727627 /nfs/dbraw/zinc/72/76/27/406727627.db2.gz RHFQMSXZIKQYCW-UHFFFAOYSA-N 0 1 314.267 1.361 50 0 DDAAMN COC(=O)CCNC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000069527466 406730054 /nfs/dbraw/zinc/73/00/54/406730054.db2.gz COYKHGGCZYGGGW-UHFFFAOYSA-N 0 1 322.430 1.528 50 0 DDAAMN CC[C@H](C)C(=O)N1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000069530668 406730483 /nfs/dbraw/zinc/73/04/83/406730483.db2.gz QWKMTWJCIUDKMF-LBPRGKRZSA-N 0 1 314.389 1.893 50 0 DDAAMN 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306.410 1.368 50 0 DDAAMN Cc1cc(N)n(CC(=O)N2CCC(c3[nH]ncc3C)CC2)n1 ZINC000216120661 484140890 /nfs/dbraw/zinc/14/08/90/484140890.db2.gz XZNGRTGDHQZVFR-UHFFFAOYSA-N 0 1 302.382 1.211 50 0 DDAAMN O=C(NCCCCCN1CCOCC1)c1ccc2nccn2c1 ZINC000223514146 484153416 /nfs/dbraw/zinc/15/34/16/484153416.db2.gz QYHMAOFYAQVUAV-UHFFFAOYSA-N 0 1 316.405 1.567 50 0 DDAAMN COc1cccc2c1CC[C@@H]2NS(=O)(=O)c1c(N)noc1C ZINC000331727721 533869003 /nfs/dbraw/zinc/86/90/03/533869003.db2.gz OFJDOENJUWVJOQ-NSHDSACASA-N 0 1 323.374 1.370 50 0 DDAAMN Cc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3O)CCO2)no1 ZINC000328587914 534582466 /nfs/dbraw/zinc/58/24/66/534582466.db2.gz JSXHYFPOKVRCEZ-LBPRGKRZSA-N 0 1 307.281 1.436 50 0 DDAAMN CC1(C)NC(=O)N(CC[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1=O ZINC000299741218 527789167 /nfs/dbraw/zinc/78/91/67/527789167.db2.gz DUZYWJHLKZVKEV-UTUOFQBUSA-N 0 1 323.393 1.035 50 0 DDAAMN CCO[C@H]1C[C@@H](NCc2ncnn2CC(C)C)C12CCOCC2 ZINC000328586820 563929616 /nfs/dbraw/zinc/92/96/16/563929616.db2.gz 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/nfs/dbraw/zinc/71/72/01/761717201.db2.gz IDBJEVPSKYCCTB-UHFFFAOYSA-N 0 1 306.410 1.747 50 0 DDAAMN COCC[C@]1(CO)CCCN(Cc2cnc(NC(C)C)nc2)C1 ZINC000219606167 771933550 /nfs/dbraw/zinc/93/35/50/771933550.db2.gz BPDGIABVXXYLLX-QGZVFWFLSA-N 0 1 322.453 1.908 50 0 DDAAMN C[C@@H]1CCC[C@H](CCN(C)C)N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000585127439 771959636 /nfs/dbraw/zinc/95/96/36/771959636.db2.gz AFVGKQMROGLINU-MGPQQGTHSA-N 0 1 316.467 1.142 50 0 DDAAMN CO[C@H](CS(=O)(=O)Nc1cnnn1-c1ccccc1)C(C)C ZINC000585129700 771961852 /nfs/dbraw/zinc/96/18/52/771961852.db2.gz SCWIWOIKNBPRIB-CYBMUJFWSA-N 0 1 324.406 1.680 50 0 DDAAMN CO[C@@H](C)c1nc(-c2cccc(N3CCN(C)CC3)n2)no1 ZINC000952845258 775567729 /nfs/dbraw/zinc/56/77/29/775567729.db2.gz PUIXLJVLILEBJU-NSHDSACASA-N 0 1 303.366 1.591 50 0 DDAAMN CC(C)c1cc(C(=O)N2CC(N3CCCC[C@@H]3C)C2)nc(N)n1 ZINC000952869035 775600101 /nfs/dbraw/zinc/60/01/01/775600101.db2.gz GVVRIYVMGXVBIL-LBPRGKRZSA-N 0 1 317.437 1.881 50 0 DDAAMN O=C(NCCSc1cn[nH]n1)Nc1ccc2c(c1)OCCO2 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1 323.368 1.103 50 0 DDAAMN Cc1cccc(CN2CCN(c3ccc4nnnn4n3)CC2)c1 ZINC000014135837 134518923 /nfs/dbraw/zinc/51/89/23/134518923.db2.gz BXHFJRJNXXROCT-UHFFFAOYSA-N 0 1 309.377 1.150 50 0 DDAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CC1 ZINC000000204346 406632564 /nfs/dbraw/zinc/63/25/64/406632564.db2.gz TWFMRWXFNNAXAV-UHFFFAOYSA-N 0 1 318.358 1.626 50 0 DDAAMN Nc1nccnc1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 ZINC000069585569 406740462 /nfs/dbraw/zinc/74/04/62/406740462.db2.gz VRRLLMVFLWBFIE-UHFFFAOYSA-N 0 1 316.271 1.979 50 0 DDAAMN O=C(CN1CCCC[C@H]1Cn1cccn1)NC1CCOCC1 ZINC000069632195 406747753 /nfs/dbraw/zinc/74/77/53/406747753.db2.gz PKLQSYFZVLIZQS-HNNXBMFYSA-N 0 1 306.410 1.033 50 0 DDAAMN COc1cc(NC(=O)CSc2c[nH]nn2)cc(OC)c1OC ZINC000007344064 406756064 /nfs/dbraw/zinc/75/60/64/406756064.db2.gz FZILATGXMAFBIK-UHFFFAOYSA-N 0 1 324.362 1.561 50 0 DDAAMN O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCc2ccccc2C1 ZINC000069949417 406794598 /nfs/dbraw/zinc/79/45/98/406794598.db2.gz HFCBYOAYDIDMPY-GOSISDBHSA-N 0 1 324.428 1.932 50 0 DDAAMN O=C([C@@H]1CCCN(c2ncnc3[nH]cnc32)C1)N1CCCC1 ZINC000009059593 406803826 /nfs/dbraw/zinc/80/38/26/406803826.db2.gz IPAWLRSZPQENRJ-LLVKDONJSA-N 0 1 300.366 1.192 50 0 DDAAMN COC(=O)c1cccc(OC[C@@H](O)CNCc2ccco2)c1 ZINC000009863769 406815777 /nfs/dbraw/zinc/81/57/77/406815777.db2.gz QBBULHWBPJODLY-ZDUSSCGKSA-N 0 1 305.330 1.596 50 0 DDAAMN Cc1c[nH+]ccc1N1CCCN(Cc2c[nH]nc2C(=O)[O-])CC1 ZINC000071405548 406838187 /nfs/dbraw/zinc/83/81/87/406838187.db2.gz DNWCIWNUYVHZRA-UHFFFAOYSA-N 0 1 315.377 1.524 50 0 DDAAMN O=C(c1ccc(O)c(Cl)c1)N1CCN(c2ncccn2)CC1 ZINC000012922050 406855863 /nfs/dbraw/zinc/85/58/63/406855863.db2.gz MLDQJRCMPGSEJJ-UHFFFAOYSA-N 0 1 318.764 1.798 50 0 DDAAMN CC[C@H](C(=O)NC[C@@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000071867417 406856713 /nfs/dbraw/zinc/85/67/13/406856713.db2.gz ZIHNEIQAUUULAV-WBVHZDCISA-N 0 1 303.450 1.932 50 0 DDAAMN COc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)c(OC)c1 ZINC000071867447 406857127 /nfs/dbraw/zinc/85/71/27/406857127.db2.gz JBJAMXRUMRWZFJ-ZDUSSCGKSA-N 0 1 321.421 1.070 50 0 DDAAMN C[C@H](CCNC(=O)NC[C@H]1CN(C)CCN1C)c1ccccc1 ZINC000071897731 406863623 /nfs/dbraw/zinc/86/36/23/406863623.db2.gz WLHVVZNTBDULSK-WBVHZDCISA-N 0 1 318.465 1.725 50 0 DDAAMN CCOC(=O)c1cnn2cc(C(=O)c3ccccc3O)cnc12 ZINC000014168567 406871633 /nfs/dbraw/zinc/87/16/33/406871633.db2.gz DKTKPNIKCROXRQ-UHFFFAOYSA-N 0 1 311.297 1.843 50 0 DDAAMN CCc1nc(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cs1 ZINC000072269330 406876000 /nfs/dbraw/zinc/87/60/00/406876000.db2.gz BOJVWRMFSQZYIC-KGLIPLIRSA-N 0 1 323.462 1.306 50 0 DDAAMN Cc1nc(CCNc2cc(-c3ccncc3)nc3ccnn32)n[nH]1 ZINC000072436513 406883397 /nfs/dbraw/zinc/88/33/97/406883397.db2.gz JJONNAJXOUXCBN-UHFFFAOYSA-N 0 1 320.360 1.872 50 0 DDAAMN Cc1nnc(CCNc2cc(-c3ccncc3)nc3ccnn32)[nH]1 ZINC000072436513 406883399 /nfs/dbraw/zinc/88/33/99/406883399.db2.gz JJONNAJXOUXCBN-UHFFFAOYSA-N 0 1 320.360 1.872 50 0 DDAAMN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N1CCc2ccccc2C1 ZINC000025629741 406899432 /nfs/dbraw/zinc/89/94/32/406899432.db2.gz ZTNDUDGNITYNMD-LBPRGKRZSA-N 0 1 312.373 1.359 50 0 DDAAMN CC(C)C[C@@H](CNc1ncnc2c1cnn2C)N1CCOCC1 ZINC000026146294 406902640 /nfs/dbraw/zinc/90/26/40/406902640.db2.gz ZORPHBGMVKQRIR-ZDUSSCGKSA-N 0 1 318.425 1.522 50 0 DDAAMN CCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1 ZINC000035421792 406972107 /nfs/dbraw/zinc/97/21/07/406972107.db2.gz HZTKOZLNHDQIHY-UHFFFAOYSA-N 0 1 303.406 1.279 50 0 DDAAMN COc1ccc(C2=NO[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000035327004 406972115 /nfs/dbraw/zinc/97/21/15/406972115.db2.gz YNHIQJASTAQUFX-JTQLQIEISA-N 0 1 302.252 1.867 50 0 DDAAMN CN(C)[C@@H](CNC(=O)N[C@@H](CCO)C1CC1)c1cccs1 ZINC000089312238 407130550 /nfs/dbraw/zinc/13/05/50/407130550.db2.gz MMWGHNMFCDVBHG-STQMWFEESA-N 0 1 311.451 1.811 50 0 DDAAMN Cc1cc(CN(C)C(=O)NCC(C)(C)N2CCN(C)CC2)no1 ZINC000089601072 407140594 /nfs/dbraw/zinc/14/05/94/407140594.db2.gz CAJSWKZHKISUCH-UHFFFAOYSA-N 0 1 323.441 1.150 50 0 DDAAMN Cc1n[nH]cc1CCCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000096404173 407259530 /nfs/dbraw/zinc/25/95/30/407259530.db2.gz VNKHOEWNEIHSMH-OAHLLOKOSA-N 0 1 305.426 1.530 50 0 DDAAMN CCc1nc(SCC(=O)NCCCC[C@@H]2CCCO2)n[nH]1 ZINC000055270272 407199169 /nfs/dbraw/zinc/19/91/69/407199169.db2.gz AGAMVEFLZGGTDS-LLVKDONJSA-N 0 1 312.439 1.925 50 0 DDAAMN CCc1n[nH]c(SCC(=O)NCCCC[C@@H]2CCCO2)n1 ZINC000055270272 407199171 /nfs/dbraw/zinc/19/91/71/407199171.db2.gz AGAMVEFLZGGTDS-LLVKDONJSA-N 0 1 312.439 1.925 50 0 DDAAMN CCc1nc(CCNC(=O)Nc2ccc3[nH]nnc3c2)no1 ZINC000096131872 407239632 /nfs/dbraw/zinc/23/96/32/407239632.db2.gz OYIKKJPPEOKCIJ-UHFFFAOYSA-N 0 1 301.310 1.268 50 0 DDAAMN C[C@@H](CCc1ccccc1)Nc1c(=O)c(=O)c1NCCN(C)C ZINC000101694082 407315048 /nfs/dbraw/zinc/31/50/48/407315048.db2.gz RONCIJBENXBUKH-ZDUSSCGKSA-N 0 1 315.417 1.689 50 0 DDAAMN CCN1CCN(c2ccc(C(=O)O[C@H]3CCOC3)cc2)CC1 ZINC000097039082 407276002 /nfs/dbraw/zinc/27/60/02/407276002.db2.gz YJKSTXRTDYLUOG-INIZCTEOSA-N 0 1 304.390 1.774 50 0 DDAAMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1csnn1 ZINC000097095783 407279539 /nfs/dbraw/zinc/27/95/39/407279539.db2.gz JQYUZCWNDAOOKQ-UHFFFAOYSA-N 0 1 300.347 1.296 50 0 DDAAMN CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)c1nc[nH]n1 ZINC000067713036 407281189 /nfs/dbraw/zinc/28/11/89/407281189.db2.gz ZWZPIJFHVSKTNG-UHFFFAOYSA-N 0 1 304.741 1.649 50 0 DDAAMN CCOc1ccc(-n2c(=O)[nH]nc2[C@H]2CCCN(C)C2)cc1 ZINC000067713843 407281631 /nfs/dbraw/zinc/28/16/31/407281631.db2.gz RXIZUDNVWGHNKO-LBPRGKRZSA-N 0 1 302.378 1.769 50 0 DDAAMN Cc1nnc(SCCNC(=O)[C@@H]2CC(=O)c3ccccc32)[nH]1 ZINC000067742096 407282459 /nfs/dbraw/zinc/28/24/59/407282459.db2.gz DQNIYOGZYVCIKW-GFCCVEGCSA-N 0 1 316.386 1.692 50 0 DDAAMN CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1ccc3c(c1)OCCO3)C2 ZINC000097217520 407288053 /nfs/dbraw/zinc/28/80/53/407288053.db2.gz MRZQFJQMBWZUEV-KGLIPLIRSA-N 0 1 302.374 1.510 50 0 DDAAMN Cc1nc(CNC(=O)c2cc(COc3ccccc3)n[nH]2)n[nH]1 ZINC000067883525 407289462 /nfs/dbraw/zinc/28/94/62/407289462.db2.gz DNONTMHBABKESL-UHFFFAOYSA-N 0 1 312.333 1.345 50 0 DDAAMN Cc1nc(CN(C)C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)no1 ZINC000067934532 407290923 /nfs/dbraw/zinc/29/09/23/407290923.db2.gz UYMIEWIFWIBXHS-ZDUSSCGKSA-N 0 1 313.361 1.388 50 0 DDAAMN CCCOc1ccc(Cl)cc1CNC(=O)[C@H]1CNCCO1 ZINC000097717293 407301688 /nfs/dbraw/zinc/30/16/88/407301688.db2.gz XILSZNNTFJXMKI-CQSZACIVSA-N 0 1 312.797 1.733 50 0 DDAAMN COc1ccc(CN2CCC(O)(Cn3ccnc3)CC2)cn1 ZINC000215254158 407482976 /nfs/dbraw/zinc/48/29/76/407482976.db2.gz NSIWOEWBXIDEAG-UHFFFAOYSA-N 0 1 302.378 1.314 50 0 DDAAMN O=C(NCCc1noc(C2CCC2)n1)c1ccc2[nH]nnc2c1 ZINC000215852062 407490707 /nfs/dbraw/zinc/49/07/07/407490707.db2.gz DITFASYWQLHZEZ-UHFFFAOYSA-N 0 1 312.333 1.581 50 0 DDAAMN CCn1ncnc1CN1CCCN(Cc2cccnc2)CC1 ZINC000215828210 407491869 /nfs/dbraw/zinc/49/18/69/407491869.db2.gz RZLFOXSEMWJHJQ-UHFFFAOYSA-N 0 1 300.410 1.401 50 0 DDAAMN O=C(N[C@H]1COC2(C1)CC[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000217732700 407507877 /nfs/dbraw/zinc/50/78/77/407507877.db2.gz PZESMYKJZXFNOR-LLVKDONJSA-N 0 1 310.781 1.687 50 0 DDAAMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cncc(F)c1 ZINC000170603751 407450499 /nfs/dbraw/zinc/45/04/99/407450499.db2.gz DPWIXIUAGNTFNL-UHFFFAOYSA-N 0 1 311.320 1.978 50 0 DDAAMN O=S1(=O)CC[C@@H](CN2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000253432158 407450615 /nfs/dbraw/zinc/45/06/15/407450615.db2.gz IZNIVFKJXAEZOP-GOEBONIOSA-N 0 1 308.447 1.998 50 0 DDAAMN Cc1[nH]ncc1CN1C(=O)CN(Cc2ccc(F)cc2)C1=O ZINC000170613934 407453632 /nfs/dbraw/zinc/45/36/32/407453632.db2.gz XXEMUQJHAQFSDF-UHFFFAOYSA-N 0 1 302.309 1.822 50 0 DDAAMN Cc1ccc2nc(CN3CCN(c4ncc[nH]c4=O)CC3)[nH]c2c1 ZINC000253537182 407453890 /nfs/dbraw/zinc/45/38/90/407453890.db2.gz ADOUASBCIHLBKS-UHFFFAOYSA-N 0 1 324.388 1.689 50 0 DDAAMN C[N@H+]1C[C@@H](NC(=O)Cc2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000222334161 407552764 /nfs/dbraw/zinc/55/27/64/407552764.db2.gz ZHGUNXRFSBQGCM-UFBFGSQYSA-N 0 1 314.744 1.295 50 0 DDAAMN CCc1c(C)nn(CC(=O)N2CC(N3CCCCC3)C2)c1C ZINC000220077415 407537397 /nfs/dbraw/zinc/53/73/97/407537397.db2.gz TXQQIRRRBGUGMV-UHFFFAOYSA-N 0 1 304.438 1.759 50 0 DDAAMN Cc1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc3c(c1)OCO3)C2 ZINC000225517003 407593098 /nfs/dbraw/zinc/59/30/98/407593098.db2.gz KNBDJGFZTVGIHB-GFCCVEGCSA-N 0 1 313.357 1.868 50 0 DDAAMN O=C(C[N@H+]1CCC[C@@H]1C(=O)[O-])NCCCOC1CCCCC1 ZINC000238092366 407891206 /nfs/dbraw/zinc/89/12/06/407891206.db2.gz CYJLGIGQPLQYTC-CQSZACIVSA-N 0 1 312.410 1.391 50 0 DDAAMN O=C(C[N@@H+]1CCC[C@@H]1C(=O)[O-])NCCCOC1CCCCC1 ZINC000238092366 407891213 /nfs/dbraw/zinc/89/12/13/407891213.db2.gz CYJLGIGQPLQYTC-CQSZACIVSA-N 0 1 312.410 1.391 50 0 DDAAMN CNC(=O)c1ccc(/C=C/C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC000154055721 407961351 /nfs/dbraw/zinc/96/13/51/407961351.db2.gz BTSPQMIKTAGVEZ-DNMVVKLTSA-N 0 1 301.390 1.268 50 0 DDAAMN CCc1n[nH]c2c1CN(Cc1nnc(-c3cccnc3)o1)CC2 ZINC000244692018 407931126 /nfs/dbraw/zinc/93/11/26/407931126.db2.gz JMZIVZAXZJCHNP-UHFFFAOYSA-N 0 1 310.361 1.975 50 0 DDAAMN Cc1nc(C)n(-c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)n1 ZINC000154269173 408006035 /nfs/dbraw/zinc/00/60/35/408006035.db2.gz PJAOALHOHJQKSZ-TXEJJXNPSA-N 0 1 313.405 1.707 50 0 DDAAMN CN(Cc1nc(-c2ccccc2)no1)C1(CO)CCOCC1 ZINC000191019066 408358925 /nfs/dbraw/zinc/35/89/25/408358925.db2.gz SYZSWUCUVDNWHJ-UHFFFAOYSA-N 0 1 303.362 1.710 50 0 DDAAMN OCCCN1CCN(c2ccnc(Cc3ccccc3)n2)CC1 ZINC000166182247 408815699 /nfs/dbraw/zinc/81/56/99/408815699.db2.gz SRCNNTZYJGXNLV-UHFFFAOYSA-N 0 1 312.417 1.572 50 0 DDAAMN Cc1cccc2nc(CNC(=O)[C@H]3CCc4[nH]nnc4C3)cn21 ZINC000283199799 409109596 /nfs/dbraw/zinc/10/95/96/409109596.db2.gz WPPJZIZPMICTPL-NSHDSACASA-N 0 1 310.361 1.182 50 0 DDAAMN Cc1cccc2nc(CNC(=O)[C@H]3CCc4nn[nH]c4C3)cn21 ZINC000283199799 409109599 /nfs/dbraw/zinc/10/95/99/409109599.db2.gz WPPJZIZPMICTPL-NSHDSACASA-N 0 1 310.361 1.182 50 0 DDAAMN CCc1cc(C(=O)N(CC)CC(=O)N2CCCCCC2)n[nH]1 ZINC000331459970 409532352 /nfs/dbraw/zinc/53/23/52/409532352.db2.gz GTMHLOTWYOGZOE-UHFFFAOYSA-N 0 1 306.410 1.837 50 0 DDAAMN Cc1ccsc1C[N@H+]1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 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