smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(-c2nc3cc(N)ccc3o2)cc1 ZINC000000156712 1128083762 /nfs/dbraw/zinc/08/37/62/1128083762.db2.gz UUGRELPCLBJSST-UHFFFAOYSA-N 0 0 281.359 3.923 40 10 CHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(F)c1 ZINC000100233046 185708828 /nfs/dbraw/zinc/70/88/28/185708828.db2.gz QLNZQKNYBJKUTH-LFIBNONCSA-N 0 0 280.302 3.632 40 10 CHCBRN CC(=O)N1CCCC[C@@H]1c1cccnc1-n1c(C)ccc1C ZINC000072216857 256710021 /nfs/dbraw/zinc/71/00/21/256710021.db2.gz WDUHUASHZQNGNX-QGZVFWFLSA-N 0 0 297.402 3.563 40 10 CHCBRN O=[N+]([O-])c1ccc(/N=N/c2ccc(OC[C@@H]3CO3)cc2)cc1 ZINC000004696903 170000892 /nfs/dbraw/zinc/00/08/92/170000892.db2.gz HNMSPRGVHAEREN-XNSRXUQDSA-N 0 0 299.286 3.788 40 10 CHCBRN Cc1cc(N)ccc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000004774654 170014975 /nfs/dbraw/zinc/01/49/75/170014975.db2.gz YVJFVECKROREIF-FOCLMDBBSA-N 0 0 256.265 3.901 40 10 CHCBRN CC(C)(C)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000005371090 170090026 /nfs/dbraw/zinc/09/00/26/170090026.db2.gz HMHMIYGCHPLDKL-LUAWRHEFSA-N 0 0 277.414 3.686 40 10 CHCBRN COC(=O)c1cc(C)n(-c2ccc(C(F)(F)F)cc2)c1C ZINC000044199805 175153638 /nfs/dbraw/zinc/15/36/38/175153638.db2.gz ASQYQZMMTILNML-UHFFFAOYSA-N 0 0 297.276 3.900 40 10 CHCBRN Cc1cc(NCc2ccc(N(C)C)cc2)nn1CC(C)C ZINC000256051172 525280396 /nfs/dbraw/zinc/28/03/96/525280396.db2.gz IAFCBXZWMNFKJE-UHFFFAOYSA-N 0 0 286.423 3.526 40 10 CHCBRN COC(=O)c1cc(C)n(-c2ccc(Cl)cc2C)c1C ZINC000223701820 567950421 /nfs/dbraw/zinc/95/04/21/567950421.db2.gz UFWSYXNDJLOATF-UHFFFAOYSA-N 0 0 277.751 3.843 40 10 CHCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21 ZINC000006971444 567079874 /nfs/dbraw/zinc/07/98/74/567079874.db2.gz JVZHDZCWMJOBKX-WOSRLPQWSA-N 0 0 293.326 3.816 40 10 CHCBRN CC(=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000001670320 567840684 /nfs/dbraw/zinc/84/06/84/567840684.db2.gz GSSMALZUESOXDQ-UHFFFAOYSA-N 0 0 296.414 3.540 40 10 CHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000013669007 567867288 /nfs/dbraw/zinc/86/72/88/567867288.db2.gz JGZKQMAVRQTGIP-UHFFFAOYSA-N 0 0 294.398 3.525 40 10 CHCBRN Nc1ccc(Cc2nnc(-c3cccc(Cl)c3)o2)cc1 ZINC000019771883 567879311 /nfs/dbraw/zinc/87/93/11/567879311.db2.gz FENLHDBGXIQNDC-UHFFFAOYSA-N 0 0 285.734 3.563 40 10 CHCBRN COC(=O)c1sc(SCc2ccccc2)cc1O ZINC000096510940 567897952 /nfs/dbraw/zinc/89/79/52/567897952.db2.gz DQCMLYLFMZKKJA-UHFFFAOYSA-N 0 0 280.370 3.533 40 10 CHCBRN O=c1sc(/N=N/c2ccccc2)nn1-c1ccccc1 ZINC000100495277 567913320 /nfs/dbraw/zinc/91/33/20/567913320.db2.gz INGRSNVOVGHHJA-FOCLMDBBSA-N 0 0 282.328 3.709 40 10 CHCBRN Cc1cc(CO)c(C)n1-c1ccc(C)cc1Br ZINC000223704771 567950426 /nfs/dbraw/zinc/95/04/26/567950426.db2.gz LTXFXEYKRNKYKO-UHFFFAOYSA-N 0 0 294.192 3.657 40 10 CHCBRN CCN(CC)c1ccc(CNC(=O)Nc2ccccc2)cc1 ZINC000224944611 570314750 /nfs/dbraw/zinc/31/47/50/570314750.db2.gz FIPGSNAIXWCCBD-UHFFFAOYSA-N 0 0 297.402 3.855 40 10 CHCBRN CCCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S ZINC000033479825 570316146 /nfs/dbraw/zinc/31/61/46/570316146.db2.gz AGDMQRIABBELHP-JLHYYAGUSA-N 0 0 291.441 3.860 40 10 CHCBRN O=C1c2ccccc2C(=O)c2c(Cl)c(Cl)ccc21 ZINC000039427243 1118164804 /nfs/dbraw/zinc/16/48/04/1118164804.db2.gz PLUFITIFLBGFPN-UHFFFAOYSA-N 0 0 277.106 3.769 40 10 CHCBRN CC1=C/C(=C\c2ccc(-c3ccccc3)o2)C(=O)O1 ZINC000004712219 170003540 /nfs/dbraw/zinc/00/35/40/170003540.db2.gz UTBAPEGZSLIAJG-JLHYYAGUSA-N 0 0 252.269 3.791 40 10 CHCBRN O=C1c2ccccc2C(=O)c2c(Cl)cc(Cl)cc21 ZINC000005543085 170111065 /nfs/dbraw/zinc/11/10/65/170111065.db2.gz ZQNAPBOSLCTZIB-UHFFFAOYSA-N 0 0 277.106 3.769 40 10 CHCBRN CCO/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000008306392 170330046 /nfs/dbraw/zinc/33/00/46/170330046.db2.gz SZTMNJDMIVYIMN-JXMROGBWSA-N 0 0 299.804 3.583 40 10 CHCBRN CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1cccs1 ZINC000008536303 170339157 /nfs/dbraw/zinc/33/91/57/170339157.db2.gz YGOXSHFWGSWGGR-NTEUORMPSA-N 0 0 286.331 3.693 40 10 CHCBRN CC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000016138617 170688511 /nfs/dbraw/zinc/68/85/11/170688511.db2.gz WMQBXFYBVIUJQK-UHFFFAOYSA-N 0 0 276.339 3.774 40 10 CHCBRN Oc1ccc(Cl)cc1[C@@H]1CC(c2cccs2)=NN1 ZINC000020390553 171179560 /nfs/dbraw/zinc/17/95/60/171179560.db2.gz CKBGFGXPZGWMPO-JTQLQIEISA-N 0 0 278.764 3.546 40 10 CHCBRN Cc1cc(C=O)c(C)n1-c1ccc(F)cc1Br ZINC000020430890 171195548 /nfs/dbraw/zinc/19/55/48/171195548.db2.gz SMXYELFCTFBUQJ-UHFFFAOYSA-N 0 0 296.139 3.808 40 10 CHCBRN COC1=CC(=NNc2cc(C)cc(C)c2)C=C(CO)C1=O ZINC000070461653 175943379 /nfs/dbraw/zinc/94/33/79/175943379.db2.gz UTUYNLLIZPZVFD-ISLYRVAYSA-N 0 0 286.331 3.925 40 10 CHCBRN COC(=O)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408722182 260028915 /nfs/dbraw/zinc/02/89/15/260028915.db2.gz QSXYZOJSIIXQGR-UHFFFAOYSA-N 0 0 288.306 3.723 40 10 CHCBRN C[C@H]1CCCCN1C1=NC(=O)/C(=C\c2cccs2)S1 ZINC000059497979 262389310 /nfs/dbraw/zinc/38/93/10/262389310.db2.gz CRPSDGPLTUNEAB-LZAIMSLLSA-N 0 0 292.429 3.593 40 10 CHCBRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 ZINC000015930124 566927382 /nfs/dbraw/zinc/92/73/82/566927382.db2.gz FTLXFUPUXCNGKF-NEBZKDRISA-N 0 0 294.354 3.748 40 10 CHCBRN O=[N+]([O-])c1cc(CNc2ccccc2)ccc1N1CCCC1 ZINC000226241372 567039104 /nfs/dbraw/zinc/03/91/04/567039104.db2.gz MAPFKMWXQBGEFO-UHFFFAOYSA-N 0 0 297.358 3.807 40 10 CHCBRN CCc1ccc(NCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 ZINC000226242209 567039264 /nfs/dbraw/zinc/03/92/64/567039264.db2.gz VIAKKHFTUVZZSG-UHFFFAOYSA-N 0 0 299.374 3.835 40 10 CHCBRN COc1ccc(N=NNc2cccc([N+](=O)[O-])c2)cc1 ZINC000015080967 567870409 /nfs/dbraw/zinc/87/04/09/567870409.db2.gz YTMRCCUGAICBHE-UHFFFAOYSA-N 0 0 272.264 3.714 40 10 CHCBRN CN(O)/N=N/c1c(Cl)cc(Cl)cc1Cl ZINC000017060506 567875056 /nfs/dbraw/zinc/87/50/56/567875056.db2.gz RUCYBJFJGYBTFJ-VAWYXSNFSA-N 0 0 254.504 3.967 40 10 CHCBRN c1ccc2nc(/N=N/c3cnc4ccccc4n3)cnc2c1 ZINC000017175065 567875254 /nfs/dbraw/zinc/87/52/54/567875254.db2.gz XORAHHZDNCUGAH-QURGRASLSA-N 0 0 286.298 3.988 40 10 CHCBRN CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1[N+](=O)[O-] ZINC000017859893 567876023 /nfs/dbraw/zinc/87/60/23/567876023.db2.gz TZTUKWOLPSCNFN-WUKNDPDISA-N 0 0 284.275 3.969 40 10 CHCBRN Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000408763166 567932833 /nfs/dbraw/zinc/93/28/33/567932833.db2.gz ROXCKQHVFMGWBK-VOTSOKGWSA-N 0 0 276.723 3.995 40 10 CHCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21 ZINC000409155743 567934481 /nfs/dbraw/zinc/93/44/81/567934481.db2.gz MLGRTQQSLSGNKG-WQGACYEGSA-N 0 0 293.326 3.816 40 10 CHCBRN COc1cccc(C(=O)C(=O)c2ccc(C)cc2Cl)c1 ZINC000409207345 567934664 /nfs/dbraw/zinc/93/46/64/567934664.db2.gz SINNPRCQWQJRQF-UHFFFAOYSA-N 0 0 288.730 3.723 40 10 CHCBRN Cc1cc2c(cc1/C=C\[N+](=O)[O-])[C@H](C)CC(C)(C)N2C ZINC000208230855 567946625 /nfs/dbraw/zinc/94/66/25/567946625.db2.gz GLULKUURFHNCHB-ZHRWSRJISA-N 0 0 274.364 3.964 40 10 CHCBRN COC(=O)c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000223701979 567950252 /nfs/dbraw/zinc/95/02/52/567950252.db2.gz UJHXBDWNJCBRCK-UHFFFAOYSA-N 0 0 277.751 3.843 40 10 CHCBRN CCN(CC)c1ccc(CNC(=O)C2CCCCC2)cc1 ZINC000224330781 567951124 /nfs/dbraw/zinc/95/11/24/567951124.db2.gz MJFKFRWTXFASBY-UHFFFAOYSA-N 0 0 288.435 3.729 40 10 CHCBRN CCOC(=O)[C@@H](C)n1c(C)ccc1-c1ccccc1 ZINC000095951478 185040380 /nfs/dbraw/zinc/04/03/80/185040380.db2.gz ZZHYVWSJWKCMDU-CYBMUJFWSA-N 0 0 257.333 3.588 40 10 CHCBRN Cc1ccc(NN=NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002527945 169802878 /nfs/dbraw/zinc/80/28/78/169802878.db2.gz ZATZIBWEALYTHN-UHFFFAOYSA-N 0 0 270.292 3.883 40 10 CHCBRN CCc1ccccc1NC1=NC(=O)C(=Cc2ccco2)S1 ZINC000005372708 170090384 /nfs/dbraw/zinc/09/03/84/170090384.db2.gz CPWZJKPIUQVCCK-GXDHUFHOSA-N 0 0 298.367 3.924 40 10 CHCBRN Cc1cccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)c1 ZINC000005371144 170090462 /nfs/dbraw/zinc/09/04/62/170090462.db2.gz JSZFULHWDJAYAI-XFXZXTDPSA-N 0 0 291.441 3.995 40 10 CHCBRN Cc1cc(CO)c(C)n1-c1cc(Cl)ccc1Cl ZINC000008701666 170347011 /nfs/dbraw/zinc/34/70/11/170347011.db2.gz RDNPQJYXLRBVIJ-UHFFFAOYSA-N 0 0 270.159 3.893 40 10 CHCBRN Cc1cc(C=O)c(C)n1-c1ccc(N2CCCC2)cc1 ZINC000008701900 170347268 /nfs/dbraw/zinc/34/72/68/170347268.db2.gz KYQBDYOADFNHRI-UHFFFAOYSA-N 0 0 268.360 3.507 40 10 CHCBRN CC(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000019275290 170768987 /nfs/dbraw/zinc/76/89/87/170768987.db2.gz WROQYRAHJUJRSJ-UHFFFAOYSA-N 0 0 268.360 3.573 40 10 CHCBRN Cc1ccc2n1-c1ccccc1CN1C[C@H](C)S[C@@H]21 ZINC000260746678 328060284 /nfs/dbraw/zinc/06/02/84/328060284.db2.gz KENBZANUNAKUSF-LRDDRELGSA-N 0 0 270.401 3.735 40 10 CHCBRN CN(C)c1ccc(-c2nc(Br)cs2)cc1 ZINC000086292002 333226095 /nfs/dbraw/zinc/22/60/95/333226095.db2.gz GZKYURYAOIMNNX-UHFFFAOYSA-N 0 0 283.194 3.639 40 10 CHCBRN FC(F)(F)C(=S)c1ccc(Br)cc1 ZINC000228961420 527661908 /nfs/dbraw/zinc/66/19/08/527661908.db2.gz TUYFKZQLTARAGL-UHFFFAOYSA-N 0 0 269.085 3.729 40 10 CHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccsc1 ZINC000408901433 528150021 /nfs/dbraw/zinc/15/00/21/528150021.db2.gz FEFWUSLBILINTF-NTEUORMPSA-N 0 0 268.341 3.554 40 10 CHCBRN COC1=CC(=NNc2cc(C)ccc2C)C=C(CO)C1=O ZINC000070461657 566865328 /nfs/dbraw/zinc/86/53/28/566865328.db2.gz TUBUSNYAFUDVID-ISLYRVAYSA-N 0 0 286.331 3.925 40 10 CHCBRN COc1ccc(N2COc3ccc(Cl)cc3C2)cc1 ZINC000000099872 567818307 /nfs/dbraw/zinc/81/83/07/567818307.db2.gz AQUVUCVXDSBWGM-UHFFFAOYSA-N 0 0 275.735 3.705 40 10 CHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1C ZINC000016362518 567872720 /nfs/dbraw/zinc/87/27/20/567872720.db2.gz BFDJDPNQJQQGDI-ATVHPVEESA-N 0 0 276.339 3.801 40 10 CHCBRN Cc1nc(N)sc1N=Nc1ccc(Cl)cc1 ZINC000016953655 567874271 /nfs/dbraw/zinc/87/42/71/567874271.db2.gz FYYDAMCPSFBFAE-CCEZHUSRSA-N 0 0 252.730 3.933 40 10 CHCBRN CC1=NC(=O)[C@@H](N=Nc2ccccc2C)N1c1ccccc1 ZINC000100554613 567936742 /nfs/dbraw/zinc/93/67/42/567936742.db2.gz ADCMAEDYCWFJKR-QBNCKDSPSA-N 0 0 292.342 3.870 40 10 CHCBRN COC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C ZINC000223714923 567950190 /nfs/dbraw/zinc/95/01/90/567950190.db2.gz HWNLDXLRCBISCY-UHFFFAOYSA-N 0 0 281.714 3.673 40 10 CHCBRN Cc1cc(CO)c(C)n1-c1ccc(Br)cc1C ZINC000032157435 570219268 /nfs/dbraw/zinc/21/92/68/570219268.db2.gz AUAUDMPJLDARIY-UHFFFAOYSA-N 0 0 294.192 3.657 40 10 CHCBRN Cc1cc(C=O)c(C)n1-c1ccc2sncc2c1 ZINC000225008764 189743376 /nfs/dbraw/zinc/74/33/76/189743376.db2.gz VENPQLYLUNSVHY-UHFFFAOYSA-N 0 0 256.330 3.516 40 10 CHCBRN O=[N+]([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 ZINC000004981454 134652818 /nfs/dbraw/zinc/65/28/18/134652818.db2.gz FTLXFUPUXCNGKF-UXOAXIEHSA-N 0 0 294.354 3.748 40 10 CHCBRN COc1ccccc1[C@@H]1CCNc2ccccc2N1 ZINC000006733611 170236364 /nfs/dbraw/zinc/23/63/64/170236364.db2.gz FRMSRQNSBOFNHL-ZDUSSCGKSA-N 0 0 254.333 3.664 40 10 CHCBRN COc1ccc(C(=O)C(=O)c2ccc(C)cc2Cl)cc1 ZINC000409197279 261147520 /nfs/dbraw/zinc/14/75/20/261147520.db2.gz AKXPFJHXPKHSAW-UHFFFAOYSA-N 0 0 288.730 3.723 40 10 CHCBRN CC[C@H](C)n1ccc(NCc2ccc(N(C)C)cc2)n1 ZINC000256052289 522071242 /nfs/dbraw/zinc/07/12/42/522071242.db2.gz MSNLFBHCIPVVHT-ZDUSSCGKSA-N 0 0 272.396 3.532 40 10 CHCBRN Cc1ccc2c(c1C)-c1c(C)c(C)ccc1C(=O)C2=O ZINC000001722241 567842432 /nfs/dbraw/zinc/84/24/32/567842432.db2.gz JTMGCXDRWXHOND-UHFFFAOYSA-N 0 0 264.324 3.966 40 10 CHCBRN COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2C)ccc1N ZINC000018043646 567875930 /nfs/dbraw/zinc/87/59/30/567875930.db2.gz NMVNXPYLEHPBFB-WUKNDPDISA-N 0 0 286.291 3.909 40 10 CHCBRN Cc1ccc(C(=O)N(C(C)C)C(C)C)cc1/N=N/N(C)C ZINC000018152655 567876616 /nfs/dbraw/zinc/87/66/16/567876616.db2.gz JQEOTXIMIBXSLR-ISLYRVAYSA-N 0 0 290.411 3.814 40 10 CHCBRN CCN(CC)c1cccc(NC(=O)c2ccccc2)c1 ZINC000034127698 567886956 /nfs/dbraw/zinc/88/69/56/567886956.db2.gz OMFRCMQOCKKUOR-UHFFFAOYSA-N 0 0 268.360 3.785 40 10 CHCBRN c1ccc(/N=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000004892325 567932660 /nfs/dbraw/zinc/93/26/60/567932660.db2.gz ZDZPNNVBWKCFBT-ISLYRVAYSA-N 0 0 267.332 3.939 40 10 CHCBRN COc1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1 ZINC000000099130 567935426 /nfs/dbraw/zinc/93/54/26/567935426.db2.gz HQLTUKXUNPCMBT-RVDMUPIBSA-N 0 0 278.307 3.677 40 10 CHCBRN 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/nfs/dbraw/zinc/34/78/58/170347858.db2.gz SXGCGAADZHRHDP-UHFFFAOYSA-N 0 0 278.149 3.610 40 10 CHCBRN Cc1cc(C=O)c(C)n1-c1ccc(Cl)cc1F ZINC000021952239 171339958 /nfs/dbraw/zinc/33/99/58/171339958.db2.gz LCDWVZBCLDCSLU-UHFFFAOYSA-N 0 0 251.688 3.699 40 10 CHCBRN O=[N+]([O-])c1cccc(NN=Nc2ccc(F)cc2)c1 ZINC000035326159 172127188 /nfs/dbraw/zinc/12/71/88/172127188.db2.gz PLHZNXVLUFBLRJ-UHFFFAOYSA-N 0 0 260.228 3.845 40 10 CHCBRN CCCN1C(=O)/C(=C(\C)c2ccc(F)cc2)SC1=S ZINC000054360644 175558518 /nfs/dbraw/zinc/55/85/18/175558518.db2.gz AEOGSFRYUOWREL-XFXZXTDPSA-N 0 0 295.404 3.827 40 10 CHCBRN COc1ccc2c(C)c(C3=CC=CCC3=S)c(=O)oc2c1 ZINC000071405005 176155136 /nfs/dbraw/zinc/15/51/36/176155136.db2.gz WVBWOGOTARKYHQ-UHFFFAOYSA-N 0 0 298.363 3.823 40 10 CHCBRN Cc1ccc2n1-c1ccccc1CN1C[C@H](C)S[C@H]21 ZINC000260746674 328060302 /nfs/dbraw/zinc/06/03/02/328060302.db2.gz KENBZANUNAKUSF-BLLLJJGKSA-N 0 0 270.401 3.735 40 10 CHCBRN C/C(NC1CCCCC1)=C1\C(C)=NN(c2ccccc2)C1=O ZINC000112107018 527538202 /nfs/dbraw/zinc/53/82/02/527538202.db2.gz AAZVDGNMPYHQTK-LGMDPLHJSA-N 0 0 297.402 3.605 40 10 CHCBRN Cc1ccc(C(=O)C(=O)c2ccccc2F)c(Cl)c1 ZINC000008369823 570270933 /nfs/dbraw/zinc/27/09/33/570270933.db2.gz HSWNAUWUTWSVAY-UHFFFAOYSA-N 0 0 276.694 3.853 40 10 CHCBRN COC1=CC(=NNc2ccc(Cl)cc2)C=C(CO)C1=O ZINC000070461996 566865614 /nfs/dbraw/zinc/86/56/14/566865614.db2.gz GMBRNWAJBRLTGG-WUKNDPDISA-N 0 0 292.722 3.962 40 10 CHCBRN CC(C)C1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000001564134 567837902 /nfs/dbraw/zinc/83/79/02/567837902.db2.gz SCLKSRJQNOKGPZ-UHFFFAOYSA-N 0 0 264.324 3.660 40 10 CHCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](C(C)C)[C@H]1CC=C[C@H]21 ZINC000003998678 567854627 /nfs/dbraw/zinc/85/46/27/567854627.db2.gz HIBSMHBAVKHZQH-HUBLWGQQSA-N 0 0 288.347 3.713 40 10 CHCBRN Cc1nc(N(C)C)[nH]c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000104219796 567916393 /nfs/dbraw/zinc/91/63/93/567916393.db2.gz CLOMLLBNHOQSGP-ZCXUNETKSA-N 0 0 291.742 3.625 40 10 CHCBRN CC(=O)N1CCCC[C@H]1c1cccnc1-n1c(C)ccc1C ZINC000072216856 567921209 /nfs/dbraw/zinc/92/12/09/567921209.db2.gz WDUHUASHZQNGNX-KRWDZBQOSA-N 0 0 297.402 3.563 40 10 CHCBRN CC(C)Cc1ccc(CO)n1Cc1ccc(Cl)cc1 ZINC000226023422 567955349 /nfs/dbraw/zinc/95/53/49/567955349.db2.gz PBYFZMHMMYTHHG-UHFFFAOYSA-N 0 0 277.795 3.881 40 10 CHCBRN Cc1ccc(Cc2ccc(CO)n2Cc2ccccc2)cc1 ZINC000226029844 567955615 /nfs/dbraw/zinc/95/56/15/567955615.db2.gz ILSBDYGTGFQURV-UHFFFAOYSA-N 0 0 291.394 3.928 40 10 CHCBRN Nc1ccc(CC(=O)Nc2ccc3ccccc3c2)cc1 ZINC000037014723 570411462 /nfs/dbraw/zinc/41/14/62/570411462.db2.gz AWTBAMISDZYVNO-UHFFFAOYSA-N 0 0 276.339 3.603 40 10 CHCBRN