smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccco2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171541 291273832 /nfs/dbraw/zinc/27/38/32/291273832.db2.gz MGCSWUKASSALOT-VXKWHMMOSA-N 0 3 405.542 4.562 10 0 HJAEHN CCOCCCNCc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474667 558257952 /nfs/dbraw/zinc/25/79/52/558257952.db2.gz UOHCGVIUJDZBPO-UHFFFAOYSA-N 0 3 408.336 4.553 10 0 HJAEHN COCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013722713 558582699 /nfs/dbraw/zinc/58/26/99/558582699.db2.gz ZUBGUGHLJUXHHJ-UHFFFAOYSA-N 0 3 403.114 4.598 10 0 HJAEHN COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876262 558419352 /nfs/dbraw/zinc/41/93/52/558419352.db2.gz OLQGSKKCLQSNSO-NRFANRHFSA-N 0 3 415.892 4.890 10 0 HJAEHN OCCCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013727363 558584948 /nfs/dbraw/zinc/58/49/48/558584948.db2.gz CIROLEZMNSSCRF-UHFFFAOYSA-N 0 3 417.141 4.724 10 0 HJAEHN OCCCCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000013726959 558584804 /nfs/dbraw/zinc/58/48/04/558584804.db2.gz AVZUJZUJNFPZOY-UHFFFAOYSA-N 0 3 412.755 4.934 10 0 HJAEHN O=C1CCCN1CCCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000013727419 558585020 /nfs/dbraw/zinc/58/50/20/558585020.db2.gz GYDKEKNNQQELMG-UHFFFAOYSA-N 0 3 407.341 4.675 10 0 HJAEHN Cc1ccc(COc2c(Cl)cc(Cl)cc2CNCCCN2CCCC2=O)cc1 ZINC000013727953 558585268 /nfs/dbraw/zinc/58/52/68/558585268.db2.gz MFNTZZUXYSZVRA-UHFFFAOYSA-N 0 3 421.368 4.983 10 0 HJAEHN O=C(NCCN1CCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000006917879 569260497 /nfs/dbraw/zinc/26/04/97/569260497.db2.gz REFRNPWWMHBHCL-UHFFFAOYSA-N 0 3 422.532 4.789 10 0 HJAEHN Brc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)c(Br)c1 ZINC000013730657 558586440 /nfs/dbraw/zinc/58/64/40/558586440.db2.gz VCLJHGQIOJXHPJ-LBPRGKRZSA-N 0 3 415.125 4.740 10 0 HJAEHN CCOCCCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000013730668 558586503 /nfs/dbraw/zinc/58/65/03/558586503.db2.gz RWMOPPKOSCISHO-UHFFFAOYSA-N 0 3 417.141 4.988 10 0 HJAEHN OCCOCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000010435662 568416334 /nfs/dbraw/zinc/41/63/34/568416334.db2.gz JTNWQULAYOVMQS-UHFFFAOYSA-N 0 3 420.336 4.824 10 0 HJAEHN CN(C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000675058529 569258603 /nfs/dbraw/zinc/25/86/03/569258603.db2.gz KGIJSGZTDNEWPG-RUZDIDTESA-N 0 3 402.582 4.659 10 0 HJAEHN COc1ccc2cc(CN[C@@H]3CCCc4ccccc43)c(N3CCSCC3)nc2c1 ZINC000011787748 537034983 /nfs/dbraw/zinc/03/49/83/537034983.db2.gz PUCNXYVCKFISDP-HSZRJFAPSA-N 0 3 419.594 4.964 10 0 HJAEHN COc1ccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(C)c(C)c3)CC2)cc1OC ZINC000034683249 557386208 /nfs/dbraw/zinc/38/62/08/557386208.db2.gz OBTBOTXTIVEREF-UHFFFAOYSA-N 0 3 424.585 4.974 10 0 HJAEHN O=C(CCC1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000015076107 558716620 /nfs/dbraw/zinc/71/66/20/558716620.db2.gz ISHYRFOAEARETA-QPJJXVBHSA-N 0 3 406.526 4.602 10 0 HJAEHN CN(C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000536953467 569064407 /nfs/dbraw/zinc/06/44/07/569064407.db2.gz KGIJSGZTDNEWPG-VWLOTQADSA-N 0 3 402.582 4.659 10 0 HJAEHN CN(CCc1ccccc1)[C@@H]1CCCN(Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000019836851 569430978 /nfs/dbraw/zinc/43/09/78/569430978.db2.gz MRMKTMZCBCRULV-OAQYLSRUSA-N 0 3 410.945 4.585 10 0 HJAEHN CCCOc1c(Br)cc(Br)cc1CNCCCOCC ZINC000020929683 558423915 /nfs/dbraw/zinc/42/39/15/558423915.db2.gz ASCRUVQDDVJELO-UHFFFAOYSA-N 0 3 409.162 4.517 10 0 HJAEHN O=C1CCCN1CCCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000013727665 558585292 /nfs/dbraw/zinc/58/52/92/558585292.db2.gz BTLQNCSAACTLPS-UHFFFAOYSA-N 0 3 407.341 4.675 10 0 HJAEHN CCCCN(C)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058371 569258650 /nfs/dbraw/zinc/25/86/50/569258650.db2.gz BSBTUALBWWFKLD-AREMUKBSSA-N 0 3 402.582 4.661 10 0 HJAEHN O=C1CCCN1CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000013727662 558585283 /nfs/dbraw/zinc/58/52/83/558585283.db2.gz HDZBEBGRRIUCAE-UHFFFAOYSA-N 0 3 407.341 4.675 10 0 HJAEHN Fc1ccc2cc(CNC3CC3)c(N3CCN(c4cccc(Cl)c4)CC3)nc2c1 ZINC000011791228 132350726 /nfs/dbraw/zinc/35/07/26/132350726.db2.gz AZSOTLRLXROYOP-UHFFFAOYSA-N 0 3 410.924 4.606 10 0 HJAEHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874704 558418656 /nfs/dbraw/zinc/41/86/56/558418656.db2.gz LHSYFIJMOUQNCQ-SFHVURJKSA-N 0 3 422.363 4.596 10 0 HJAEHN CC(=O)N(CC(C)C)C[C@@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(F)c1 ZINC000037524145 571314018 /nfs/dbraw/zinc/31/40/18/571314018.db2.gz SEFPWBWFCUJBGM-JTHBVZDNSA-N 0 3 400.513 4.685 10 0 HJAEHN COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccncc2C)c(F)c1 ZINC000055166219 569391702 /nfs/dbraw/zinc/39/17/02/569391702.db2.gz YULCQQIHIMKASG-UHFFFAOYSA-N 0 3 402.473 4.680 10 0 HJAEHN CCCN(CC)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000536954311 569064404 /nfs/dbraw/zinc/06/44/04/569064404.db2.gz OZOZRDLGMDPGPZ-SANMLTNESA-N 0 3 402.582 4.661 10 0 HJAEHN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4ccc(O)cc4)CC3)c2)c1 ZINC000012373270 558390653 /nfs/dbraw/zinc/39/06/53/558390653.db2.gz MWEPPIVNKUHBAK-UHFFFAOYSA-N 0 3 416.521 4.919 10 0 HJAEHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(C)cc2)cc1OC ZINC000020873948 558418305 /nfs/dbraw/zinc/41/83/05/558418305.db2.gz FYNOQYBMZGGPCY-UHFFFAOYSA-N 0 3 421.537 4.932 10 0 HJAEHN CN(CCc1ccccc1)[C@H]1CCCN(Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000019836853 569430964 /nfs/dbraw/zinc/43/09/64/569430964.db2.gz MRMKTMZCBCRULV-NRFANRHFSA-N 0 3 410.945 4.585 10 0 HJAEHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cccc(F)c1 ZINC000037524146 571313995 /nfs/dbraw/zinc/31/39/95/571313995.db2.gz SEFPWBWFCUJBGM-FYYLOGMGSA-N 0 3 400.513 4.685 10 0 HJAEHN CCOc1c(CNCCc2c[nH]c3ccccc23)cc(Br)cc1OC ZINC000020476860 558374512 /nfs/dbraw/zinc/37/45/12/558374512.db2.gz XBNFCFVKUSNPDT-UHFFFAOYSA-N 0 3 403.320 4.670 10 0 HJAEHN CCCCOCCCNCc1cc(Br)cc(Br)c1OC ZINC000013719969 560827471 /nfs/dbraw/zinc/82/74/71/560827471.db2.gz VCPQJKCCZYLYAZ-UHFFFAOYSA-N 0 3 409.162 4.517 10 0 HJAEHN Cc1nn(-c2ccc(F)cc2F)c(OCC(F)(F)F)c1CNC1CCCCC1 ZINC000536555957 569062882 /nfs/dbraw/zinc/06/28/82/569062882.db2.gz RCEQKTKPHKZEPM-UHFFFAOYSA-N 0 3 403.395 4.822 10 0 HJAEHN Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3ccsc3)CC2)n1 ZINC000037553933 571314038 /nfs/dbraw/zinc/31/40/38/571314038.db2.gz LSZQYPWGLPBXJR-UHFFFAOYSA-N 0 3 423.557 4.900 10 0 HJAEHN CCCOc1c(CNCCc2ccccc2OC)cc(Br)cc1OC ZINC000020934417 558424323 /nfs/dbraw/zinc/42/43/23/558424323.db2.gz MKYZRMNSFKEPST-UHFFFAOYSA-N 0 3 408.336 4.587 10 0 HJAEHN CN(Cc1ccc(OCCNC(=O)C2CCC2)cc1)Cc1cccc2ccccc21 ZINC000012244563 568455851 /nfs/dbraw/zinc/45/58/51/568455851.db2.gz CVLUGLIMTJUYHP-UHFFFAOYSA-N 0 3 402.538 4.767 10 0 HJAEHN COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccc(F)cc1Cl ZINC000020876260 558419283 /nfs/dbraw/zinc/41/92/83/558419283.db2.gz OLQGSKKCLQSNSO-OAQYLSRUSA-N 0 3 415.892 4.890 10 0 HJAEHN Clc1ccc(COc2ccc(CNC[C@H]3CCCO3)cc2Br)cc1 ZINC000020876443 558419287 /nfs/dbraw/zinc/41/92/87/558419287.db2.gz NKPYBYQPVWLRMK-QGZVFWFLSA-N 0 3 410.739 4.950 10 0 HJAEHN COc1cc(CNCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731472 558586921 /nfs/dbraw/zinc/58/69/21/558586921.db2.gz UIBVWCVWOXGARE-UHFFFAOYSA-N 0 3 404.510 4.619 10 0 HJAEHN CCCCOCCCNCc1cc(Br)cc(Br)c1OCC ZINC000013719966 560827428 /nfs/dbraw/zinc/82/74/28/560827428.db2.gz NHVYDJGCEKBHPW-UHFFFAOYSA-N 0 3 423.189 4.907 10 0 HJAEHN CCCOc1c(CNCCc2ccc(OC)cc2)cc(Br)cc1OC ZINC000020934270 558424405 /nfs/dbraw/zinc/42/44/05/558424405.db2.gz ZYBFSGVFTCZKKQ-UHFFFAOYSA-N 0 3 408.336 4.587 10 0 HJAEHN COc1cc(Br)cc(CNCCCOC(C)C)c1OCc1ccccc1 ZINC000013722105 558582562 /nfs/dbraw/zinc/58/25/62/558582562.db2.gz YKSJKBREEVKSSD-UHFFFAOYSA-N 0 3 422.363 4.941 10 0 HJAEHN O=C1CCCN1CCCNCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000013728014 558585412 /nfs/dbraw/zinc/58/54/12/558585412.db2.gz HNTZVIUCVFPGLT-UHFFFAOYSA-N 0 3 407.341 4.675 10 0 HJAEHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012191881 558347831 /nfs/dbraw/zinc/34/78/31/558347831.db2.gz NOTHZXBVDRUGTR-SFHVURJKSA-N 0 3 405.464 4.876 10 0 HJAEHN O=C(NCCc1ccccn1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000034672627 557363293 /nfs/dbraw/zinc/36/32/93/557363293.db2.gz BGJPWSNKZGKPFF-UHFFFAOYSA-N 0 3 413.565 4.509 10 0 HJAEHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012191877 558347924 /nfs/dbraw/zinc/34/79/24/558347924.db2.gz NOTHZXBVDRUGTR-GOSISDBHSA-N 0 3 405.464 4.876 10 0 HJAEHN COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873830 558418317 /nfs/dbraw/zinc/41/83/17/558418317.db2.gz IROMQPUWZGVXMI-SFHVURJKSA-N 0 3 420.347 4.614 10 0 HJAEHN CCCCN(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000536952229 569064433 /nfs/dbraw/zinc/06/44/33/569064433.db2.gz BSBTUALBWWFKLD-SANMLTNESA-N 0 3 402.582 4.661 10 0 HJAEHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874706 558418882 /nfs/dbraw/zinc/41/88/82/558418882.db2.gz LHSYFIJMOUQNCQ-GOSISDBHSA-N 0 3 422.363 4.596 10 0 HJAEHN OCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000013726950 558584757 /nfs/dbraw/zinc/58/47/57/558584757.db2.gz DEUNJTRCVFXCIS-UHFFFAOYSA-N 0 3 412.755 4.934 10 0 HJAEHN CCCN1CCN(c2nc(Cc3ccccc3)nc3sc4c(c32)CCCC4)CC1 ZINC000002921822 534936251 /nfs/dbraw/zinc/93/62/51/534936251.db2.gz VVNWPZKBTRWLPZ-UHFFFAOYSA-N 0 3 406.599 4.693 10 0 HJAEHN COc1ccc2cc(CN[C@H]3CCCc4ccccc43)c(N3CCSCC3)nc2c1 ZINC000011787749 537035428 /nfs/dbraw/zinc/03/54/28/537035428.db2.gz PUCNXYVCKFISDP-QHCPKHFHSA-N 0 3 419.594 4.964 10 0 HJAEHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccc(C)cc1 ZINC000020873832 558418310 /nfs/dbraw/zinc/41/83/10/558418310.db2.gz IROMQPUWZGVXMI-GOSISDBHSA-N 0 3 420.347 4.614 10 0 HJAEHN OC[C@@]1(CCCc2ccccc2)CCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012317387 568467370 /nfs/dbraw/zinc/46/73/70/568467370.db2.gz OXJADLTXBIJXMV-VWLOTQADSA-N 0 3 407.533 4.813 10 0 HJAEHN O=C(CN1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ccc(Cl)cc1)Nc1ccc2c[nH]nc2c1 ZINC000536558810 569062841 /nfs/dbraw/zinc/06/28/41/569062841.db2.gz KGEOKGBTXBUYRB-SFGWALBWSA-N 0 3 422.960 4.746 10 0 HJAEHN COc1cccc(NC(=O)N(Cc2ccco2)C2CCN(Cc3ccccc3)CC2)c1 ZINC000006867013 569159674 /nfs/dbraw/zinc/15/96/74/569159674.db2.gz UITHSMOSSHNWCK-UHFFFAOYSA-N 0 3 419.525 4.987 10 0 HJAEHN Cc1ccc(COc2ccc(Br)cc2CNCCCn2ccnc2)cc1 ZINC000010314125 557859422 /nfs/dbraw/zinc/85/94/22/557859422.db2.gz IZEPQKRQDMKIEH-UHFFFAOYSA-N 0 3 414.347 4.713 10 0 HJAEHN O=C(NCCCOc1ccc(CN2CC=C(c3ccccc3)CC2)cc1)c1ccco1 ZINC000015001649 558698104 /nfs/dbraw/zinc/69/81/04/558698104.db2.gz TYMDUEPJAPULFF-UHFFFAOYSA-N 0 3 416.521 4.768 10 0 HJAEHN Cn1cc(CNCc2ccc3nonc3c2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000055575763 568779783 /nfs/dbraw/zinc/77/97/83/568779783.db2.gz IEGHSFANUUUGAU-UHFFFAOYSA-N 0 3 411.465 4.705 10 0 HJAEHN CC(C)CN(C)C[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000536955465 569064416 /nfs/dbraw/zinc/06/44/16/569064416.db2.gz YUSDPQAIEGQWBG-SANMLTNESA-N 0 3 402.582 4.517 10 0 HJAEHN Clc1ccc(COc2ccc(CNC[C@@H]3CCCO3)cc2Br)cc1 ZINC000020876441 558419425 /nfs/dbraw/zinc/41/94/25/558419425.db2.gz NKPYBYQPVWLRMK-KRWDZBQOSA-N 0 3 410.739 4.950 10 0 HJAEHN CC(=O)N(CC(C)C)C[C@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(F)c1 ZINC000245329272 568473409 /nfs/dbraw/zinc/47/34/09/568473409.db2.gz SEFPWBWFCUJBGM-GGAORHGYSA-N 0 3 400.513 4.685 10 0 HJAEHN CCCN(CC)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058622 569258580 /nfs/dbraw/zinc/25/85/80/569258580.db2.gz OZOZRDLGMDPGPZ-AREMUKBSSA-N 0 3 402.582 4.661 10 0 HJAEHN CCc1ccc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1 ZINC000015067091 558709897 /nfs/dbraw/zinc/70/98/97/558709897.db2.gz READZFPXFYZWRD-UHFFFAOYSA-N 0 3 406.570 4.919 10 0 HJAEHN CCCOc1ccc(Br)cc1CNCCc1ccc(OC)c(OC)c1 ZINC000020929239 568460743 /nfs/dbraw/zinc/46/07/43/568460743.db2.gz LDZWDOTXIBSTQR-UHFFFAOYSA-N 0 3 408.336 4.587 10 0 HJAEHN CC(C)CN(C)C[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000675058830 569258575 /nfs/dbraw/zinc/25/85/75/569258575.db2.gz YUSDPQAIEGQWBG-AREMUKBSSA-N 0 3 402.582 4.517 10 0 HJAEHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874691 558418629 /nfs/dbraw/zinc/41/86/29/558418629.db2.gz OBQPEBGXUMCSEJ-UHFFFAOYSA-N 0 3 422.363 4.596 10 0 HJAEHN Brc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)c(Br)c1 ZINC000013730660 558586525 /nfs/dbraw/zinc/58/65/25/558586525.db2.gz VCLJHGQIOJXHPJ-GFCCVEGCSA-N 0 3 415.125 4.740 10 0 HJAEHN CC(C)Oc1ccc(Br)cc1C(=O)NC(=N)NC1CCCCCCC1 ZINC000048532940 569358325 /nfs/dbraw/zinc/35/83/25/569358325.db2.gz IAQFUCVGVOIEGF-UHFFFAOYSA-N 0 3 410.356 4.603 10 0 HJAEHN NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000000538183 132228786 /nfs/dbraw/zinc/22/87/86/132228786.db2.gz OSJJYEUEJRVVOD-UHFFFAOYSA-N 0 3 401.963 4.530 10 0 in-man HJAEHN OC[C@]1(CCCc2ccccc2)CCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012317388 568467289 /nfs/dbraw/zinc/46/72/89/568467289.db2.gz OXJADLTXBIJXMV-RUZDIDTESA-N 0 3 407.533 4.813 10 0 HJAEHN CC(=O)N(CC(C)C)C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1cccc(F)c1 ZINC000245329273 568473456 /nfs/dbraw/zinc/47/34/56/568473456.db2.gz SEFPWBWFCUJBGM-GMAHTHKFSA-N 0 3 400.513 4.685 10 0 HJAEHN Fc1ccc(COc2ccc(Br)cc2CNCCCn2ccnc2)cc1 ZINC000010314028 557859453 /nfs/dbraw/zinc/85/94/53/557859453.db2.gz IWNSVGZLBWMBGS-UHFFFAOYSA-N 0 3 418.310 4.544 10 0 HJAEHN Fc1ccccc1COc1ccc(Br)cc1CNCCCn1ccnc1 ZINC000010314031 557859525 /nfs/dbraw/zinc/85/95/25/557859525.db2.gz QBMCUYPLCUQUAH-UHFFFAOYSA-N 0 3 418.310 4.544 10 0 HJAEHN C/C(=C\c1ccccc1)CN1CCC(n2nccc2NC(=O)Cc2ccccc2)CC1 ZINC000012385153 558394304 /nfs/dbraw/zinc/39/43/04/558394304.db2.gz XSZJFCDATHJGBC-DYTRJAOYSA-N 0 3 414.553 4.805 10 0 HJAEHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(C)cc1 ZINC000020874339 558418524 /nfs/dbraw/zinc/41/85/24/558418524.db2.gz GPJLJGSRZFUYBF-UHFFFAOYSA-N 0 3 405.494 4.991 10 0 HJAEHN CCCOc1c(Br)cc(Br)cc1CNCCCOC(C)C ZINC000020929932 558424128 /nfs/dbraw/zinc/42/41/28/558424128.db2.gz QQLZVABJVMCBNJ-UHFFFAOYSA-N 0 3 423.189 4.905 10 0 HJAEHN