smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)c1 ZINC000001814117 204020837 /nfs/dbraw/zinc/02/08/37/204020837.db2.gz RVOKXLGLMGONKR-LFIBNONCSA-N 0 0 372.471 3.932 40 10 FHCBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1c(Cl)cccc1Cl)C(=O)C2=O ZINC000002106581 204026040 /nfs/dbraw/zinc/02/60/40/204026040.db2.gz ZRJBLBWFXJEPTI-DLBZAZTESA-N 0 0 354.233 3.896 40 10 FHCBRN CC(=O)Nc1ccc(NC2=NC(=O)C(=Cc3ccccc3F)S2)cc1 ZINC000005372930 204205647 /nfs/dbraw/zinc/20/56/47/204205647.db2.gz NDPYRVRXQHUYEH-YBEGLDIGSA-N 0 0 355.394 3.867 40 10 FHCBRN COc1ccc(/C=C2\SC(=S)N(c3ccccc3O)C2=O)c(OC)c1 ZINC000005371034 204205940 /nfs/dbraw/zinc/20/59/40/204205940.db2.gz OIJAETSCANSKJC-SXGWCWSVSA-N 0 0 373.455 3.815 40 10 FHCBRN CCCN(CCC)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000005370668 204206001 /nfs/dbraw/zinc/20/60/01/204206001.db2.gz SMIGBUHRODJMRI-QINSGFPZSA-N 0 0 362.520 3.536 40 10 FHCBRN CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3F)cc2)SC1=S ZINC000005374782 204206063 /nfs/dbraw/zinc/20/60/63/204206063.db2.gz RVXMIBRJRQEAQX-XNTDXEJSSA-N 0 0 372.446 3.909 40 10 FHCBRN COc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)c(OC)c1 ZINC000005371193 204206135 /nfs/dbraw/zinc/20/61/35/204206135.db2.gz XOGWACGZOLZXMM-SXGWCWSVSA-N 0 0 373.455 3.815 40 10 FHCBRN COc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc(OC)c1OC ZINC000005371967 204206148 /nfs/dbraw/zinc/20/61/48/204206148.db2.gz LEUKVHMPULAOBY-LCYFTJDESA-N 0 0 367.492 3.712 40 10 FHCBRN CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000005370669 204206351 /nfs/dbraw/zinc/20/63/51/204206351.db2.gz SXQCMEAUFHOXAA-WMJYUBJYSA-N 0 0 374.531 3.679 40 10 FHCBRN CN1C(=O)/C(=C/c2c(-c3ccccc3)nc3ccccn23)SC1=S ZINC000006657791 204258494 /nfs/dbraw/zinc/25/84/94/204258494.db2.gz BIFVOROFZIFORU-KAMYIIQDSA-N 0 0 351.456 3.832 40 10 FHCBRN CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000044946107 205116318 /nfs/dbraw/zinc/11/63/18/205116318.db2.gz ZONODQINWQGWSD-NRFANRHFSA-N 0 0 368.477 3.769 40 10 FHCBRN CCOc1cc2c(cc1C=C1SC(NC3CCCC3)=NC1=O)O[C@@H](C)C2 ZINC000084805181 205662176 /nfs/dbraw/zinc/66/21/76/205662176.db2.gz YKEKVGXSSQILMQ-HWQJWEFDSA-N 0 0 372.490 3.911 40 10 FHCBRN COc1ccc(NC(=S)NCCN(C)c2ccccc2)c2cccnc12 ZINC000225572793 206487950 /nfs/dbraw/zinc/48/79/50/206487950.db2.gz LZHDIMMNMHZVQU-UHFFFAOYSA-N 0 0 366.490 3.666 40 10 FHCBRN COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCCC2)cc1 ZINC000225697305 206494380 /nfs/dbraw/zinc/49/43/80/206494380.db2.gz CGJUPKIPGFPLLT-CQSZACIVSA-N 0 0 356.495 3.738 40 10 FHCBRN CCCOc1ccc(C(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 ZINC000007496786 263351180 /nfs/dbraw/zinc/35/11/80/263351180.db2.gz MAWORCCORBIQGM-UHFFFAOYSA-N 0 0 370.449 3.573 40 10 FHCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000010113071 263362981 /nfs/dbraw/zinc/36/29/81/263362981.db2.gz VUOJJDAFSFTUPF-UHFFFAOYSA-N 0 0 353.422 3.824 40 10 FHCBRN COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(O)c1 ZINC000409060618 263521683 /nfs/dbraw/zinc/52/16/83/263521683.db2.gz VLDQCLNVFHJIBH-RGEXLXHISA-N 0 0 367.445 3.955 40 10 FHCBRN O=C1/C(=C\c2ccccc2F)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000409343445 263550273 /nfs/dbraw/zinc/55/02/73/263550273.db2.gz GVSYNAZSGAPUQY-VIZOYTHASA-N 0 0 359.403 3.960 40 10 FHCBRN COc1cc(N2N=C(C)C(=CNNc3ccc(C)cc3)C2=O)ccc1Cl ZINC000408529954 570509613 /nfs/dbraw/zinc/50/96/13/570509613.db2.gz IHOZOELEMRCBNW-WJDWOHSUSA-N 0 0 370.840 3.880 40 10 FHCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1ccccc1[N+](=O)[O-] ZINC000104201129 570520808 /nfs/dbraw/zinc/52/08/08/570520808.db2.gz JSZTVHLFEOFOQW-VXPUYCOJSA-N 0 0 350.338 3.907 40 10 FHCBRN CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)S1 ZINC000408605290 570577613 /nfs/dbraw/zinc/57/76/13/570577613.db2.gz YHCZXAUYTMVDTD-VGOFMYFVSA-N 0 0 364.785 3.846 40 10 FHCBRN COc1ccc(OC)c(C2=C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c1 ZINC000408722372 570675947 /nfs/dbraw/zinc/67/59/47/570675947.db2.gz HTXNHAGEPJWUDQ-ZSOIEALJSA-N 0 0 367.357 3.902 40 10 FHCBRN CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000409019491 570713922 /nfs/dbraw/zinc/71/39/22/570713922.db2.gz JLFRACPYUKCQHB-QGOAFFKASA-N 0 0 365.433 3.639 40 10 FHCBRN O=C1[C@@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCC1 ZINC000409145327 570732866 /nfs/dbraw/zinc/73/28/66/570732866.db2.gz OIOPHPCCBUBLJY-MRXNPFEDSA-N 0 0 363.504 3.767 40 10 FHCBRN COc1ccc(CCNC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2C)cc1 ZINC000103916362 570772222 /nfs/dbraw/zinc/77/22/22/570772222.db2.gz BCZBZTXCOBRONO-ZHZULCJRSA-N 0 0 367.424 3.663 40 10 FHCBRN COc1ccc(N2N=C(C)C(=C(C)NCCc3cccs3)C2=O)cc1 ZINC000103916943 570772401 /nfs/dbraw/zinc/77/24/01/570772401.db2.gz ULHOHERBHCUQLX-AQTBWJFISA-N 0 0 355.463 3.586 40 10 FHCBRN CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccco1 ZINC000103918039 570772782 /nfs/dbraw/zinc/77/27/82/570772782.db2.gz IMVKJNWCZXLYEK-AQTBWJFISA-N 0 0 368.393 3.754 40 10 FHCBRN CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(O)cc1 ZINC000013549115 570779190 /nfs/dbraw/zinc/77/91/90/570779190.db2.gz ROQSBRKVCAUOTQ-YBEGLDIGSA-N 0 0 372.222 3.873 40 10 FHCBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2)cc1 ZINC000010113479 570800875 /nfs/dbraw/zinc/80/08/75/570800875.db2.gz WWROIXCDWYKTSJ-DHZHZOJOSA-N 0 0 351.406 3.525 40 10 FHCBRN COc1ccc(NC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000112117227 570810807 /nfs/dbraw/zinc/81/08/07/570810807.db2.gz GHBVANOOERAIEO-PDGQHHTCSA-N 0 0 366.377 3.712 40 10 FHCBRN CCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112117054 570810903 /nfs/dbraw/zinc/81/09/03/570810903.db2.gz DKPVGXOUJRDPIV-JXAWBTAJSA-N 0 0 364.405 3.619 40 10 FHCBRN COc1ccc(N2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000013471664 570832298 /nfs/dbraw/zinc/83/22/98/570832298.db2.gz VLSOWIDGYROERV-UHFFFAOYSA-N 0 0 355.507 3.831 40 10 FHCBRN C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000019718507 570900308 /nfs/dbraw/zinc/90/03/08/570900308.db2.gz VFPYTLBWCHEDRJ-MRXNPFEDSA-N 0 0 370.468 3.817 40 10 FHCBRN O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(N2CCCCC2)cc1 ZINC000019717767 570900453 /nfs/dbraw/zinc/90/04/53/570900453.db2.gz WYBDXNHZSXMORV-UHFFFAOYSA-N 0 0 362.477 3.802 40 10 FHCBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000022535306 570946437 /nfs/dbraw/zinc/94/64/37/570946437.db2.gz BMSIEUAFCYFLAD-HXUWFJFHSA-N 0 0 356.441 3.900 40 10 FHCBRN CCOC(=O)c1ccc(C)c(NC(=S)NCCN(C)c2ccccc2)c1 ZINC000225571654 571046364 /nfs/dbraw/zinc/04/63/64/571046364.db2.gz IAVGJSGDWCJMJD-UHFFFAOYSA-N 0 0 371.506 3.595 40 10 FHCBRN COc1ccc(N(C)CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000225798241 571067287 /nfs/dbraw/zinc/06/72/87/571067287.db2.gz NVFVZFUPZQEPOR-UHFFFAOYSA-N 0 0 367.877 3.911 40 10 FHCBRN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059182178 571087537 /nfs/dbraw/zinc/08/75/37/571087537.db2.gz FFNISESMMUUXLF-LICLKQGHSA-N 0 0 367.474 3.808 40 10 FHCBRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000059435664 571089105 /nfs/dbraw/zinc/08/91/05/571089105.db2.gz HIOFVJOQQNBYBJ-UYRXBGFRSA-N 0 0 363.413 3.568 40 10 FHCBRN COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1 ZINC000059435777 571089192 /nfs/dbraw/zinc/08/91/92/571089192.db2.gz PJOGTXQXQZGPOK-UYRXBGFRSA-N 0 0 363.413 3.568 40 10 FHCBRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2O)cc(-c2cccnc2)n1 ZINC000329047863 571108846 /nfs/dbraw/zinc/10/88/46/571108846.db2.gz UHVDVDQZXRMDHP-LBPRGKRZSA-N 0 0 369.856 3.695 40 10 FHCBRN COc1ccc2nc(C=C3SC(Nc4ccccn4)=NC3=O)ccc2c1 ZINC000054361110 571214607 /nfs/dbraw/zinc/21/46/07/571214607.db2.gz JTIGPNHPWOVEJV-WJDWOHSUSA-N 0 0 362.414 3.721 40 10 FHCBRN Cc1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1C ZINC000033580449 571309683 /nfs/dbraw/zinc/30/96/83/571309683.db2.gz NUDPDEBKQDRVLR-ZHZULCJRSA-N 0 0 357.413 3.556 40 10 FHCBRN COc1cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc(OC)c1O ZINC000214590447 571310139 /nfs/dbraw/zinc/31/01/39/571310139.db2.gz PRHWAVSWBJAOQI-OQLLNIDSSA-N 0 0 374.393 3.631 40 10 FHCBRN CCOc1ccc(-c2nnc3n2N[C@H](c2ccc(N(C)C)cc2)S3)cc1 ZINC000003843253 204111458 /nfs/dbraw/zinc/11/14/58/204111458.db2.gz IRFUDOBWZDRERH-SFHVURJKSA-N 0 0 367.478 3.758 40 10 FHCBRN CN1C(=O)/C(=C/c2ccc(C(=O)NC3CCCCCC3)cc2)SC1=S ZINC000005374695 204205691 /nfs/dbraw/zinc/20/56/91/204205691.db2.gz JLFRDKCCRHHLRU-VBKFSLOCSA-N 0 0 374.531 3.970 40 10 FHCBRN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 ZINC000006009138 204233554 /nfs/dbraw/zinc/23/35/54/204233554.db2.gz RHKPWHQLEMHTKQ-XNTDXEJSSA-N 0 0 372.446 3.680 40 10 FHCBRN O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1 ZINC000006139316 204238946 /nfs/dbraw/zinc/23/89/46/204238946.db2.gz VHWJUCAGHXLYGW-UKTHLTGXSA-N 0 0 360.485 3.588 40 10 FHCBRN Oc1ccc(-c2nc3cnccn3c2NCc2ccc(F)cc2)cc1O ZINC000012113849 204430386 /nfs/dbraw/zinc/43/03/86/204430386.db2.gz OCOHIGWRFLXXRS-UHFFFAOYSA-N 0 0 350.353 3.559 40 10 FHCBRN CCc1ccc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000001351056 206148158 /nfs/dbraw/zinc/14/81/58/206148158.db2.gz OCNRFOMNMYWYCQ-UHFFFAOYSA-N 0 0 355.507 3.777 40 10 FHCBRN O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccccc2F)C1=O ZINC000001476433 206227225 /nfs/dbraw/zinc/22/72/25/206227225.db2.gz AKKHPLNUFIWAHQ-BUHFOSPRSA-N 0 0 356.403 3.554 40 10 FHCBRN CC(NCc1ccc(F)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000017075556 206321599 /nfs/dbraw/zinc/32/15/99/206321599.db2.gz NYVKZGMZQBCWHV-PDGQHHTCSA-N 0 0 368.368 3.520 40 10 FHCBRN COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000225419458 132284687 /nfs/dbraw/zinc/28/46/87/132284687.db2.gz UZEHNCLMNANXMY-UHFFFAOYSA-N 0 0 356.495 3.567 40 10 FHCBRN Cc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000062225286 136132884 /nfs/dbraw/zinc/13/28/84/136132884.db2.gz WIBUEJGVURXZNC-UHFFFAOYSA-N 0 0 352.478 3.989 40 10 FHCBRN O=C(c1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000408822306 263498552 /nfs/dbraw/zinc/49/85/52/263498552.db2.gz KUGAZGUEBVJIDN-GXDHUFHOSA-N 0 0 370.411 3.636 40 10 FHCBRN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409143535 263533687 /nfs/dbraw/zinc/53/36/87/263533687.db2.gz MOXHTHISFAWXBZ-LICLKQGHSA-N 0 0 374.437 3.916 40 10 FHCBRN CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000019932206 522892809 /nfs/dbraw/zinc/89/28/09/522892809.db2.gz PIESYZHWUWLFRT-FQEVSTJZSA-N 0 0 368.477 3.510 40 10 FHCBRN CC(=O)O[C@H](CCCCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 ZINC000031159232 560090478 /nfs/dbraw/zinc/09/04/78/560090478.db2.gz UWNADLMLMRTPFL-QGZVFWFLSA-N 0 0 374.433 3.786 40 10 biogenic,in-vitro FHCBRN Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1 ZINC000001183277 570489968 /nfs/dbraw/zinc/48/99/68/570489968.db2.gz NQEAKCGNWMPIRK-FOWTUZBSSA-N 0 0 374.531 3.645 40 10 FHCBRN CCN1C(=O)[C@H](Cc2c(OC)ccc3ccc(OC)cc32)SC1=S ZINC000006952486 570575023 /nfs/dbraw/zinc/57/50/23/570575023.db2.gz UDHHLVSFSALQLN-INIZCTEOSA-N 0 0 361.488 3.648 40 10 FHCBRN Cc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)o1 ZINC000005372734 570624692 /nfs/dbraw/zinc/62/46/92/570624692.db2.gz BCNHMWATLAFYEY-SFQUDFHCSA-N 0 0 371.437 3.520 40 10 FHCBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C ZINC000408817422 570689605 /nfs/dbraw/zinc/68/96/05/570689605.db2.gz XREIRZGYDDLBLD-YBEGLDIGSA-N 0 0 370.430 3.547 40 10 FHCBRN COc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(OC)c1C ZINC000409038429 570715124 /nfs/dbraw/zinc/71/51/24/570715124.db2.gz OYBCLBIAKQPZLC-ZSOIEALJSA-N 0 0 351.493 3.869 40 10 FHCBRN CCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl ZINC000409085272 570720336 /nfs/dbraw/zinc/72/03/36/570720336.db2.gz WWTRQAWZPXFKLD-KPKJPENVSA-N 0 0 373.261 3.889 40 10 FHCBRN CSc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000409086012 570720764 /nfs/dbraw/zinc/72/07/64/570720764.db2.gz XXZDKLMIIWBDHJ-CJAAZZPWSA-N 0 0 351.518 3.789 40 10 FHCBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000409089240 570721562 /nfs/dbraw/zinc/72/15/62/570721562.db2.gz ZCFRYHWMZYLTTO-WISAJEAXSA-N 0 0 374.531 3.667 40 10 FHCBRN COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000409138590 570731682 /nfs/dbraw/zinc/73/16/82/570731682.db2.gz FATCQQBWLBGGOJ-ATVHPVEESA-N 0 0 356.447 3.777 40 10 FHCBRN O=C1[C@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCC1 ZINC000409145326 570732867 /nfs/dbraw/zinc/73/28/67/570732867.db2.gz OIOPHPCCBUBLJY-INIZCTEOSA-N 0 0 363.504 3.767 40 10 FHCBRN CCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O ZINC000409235021 570744929 /nfs/dbraw/zinc/74/49/29/570744929.db2.gz AAAWYTXTTUQXPY-CPNJWEJPSA-N 0 0 359.429 3.911 40 10 FHCBRN Cc1cccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)n1 ZINC000409351276 570752685 /nfs/dbraw/zinc/75/26/85/570752685.db2.gz SYVLQTCRYMAMGX-LFIBNONCSA-N 0 0 355.488 3.862 40 10 FHCBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2)cc1 ZINC000013668309 570783333 /nfs/dbraw/zinc/78/33/33/570783333.db2.gz GNLZKWZTSQOUCZ-KPKJPENVSA-N 0 0 351.406 3.525 40 10 FHCBRN COc1ccc(N2CCN(C(=O)CCSCc3ccccc3)CC2)cc1 ZINC000013687998 570784467 /nfs/dbraw/zinc/78/44/67/570784467.db2.gz KNPAUYXAWDWPQA-UHFFFAOYSA-N 0 0 370.518 3.667 40 10 FHCBRN C/C(NC1CCCCCC1)=C1\C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112115812 570810394 /nfs/dbraw/zinc/81/03/94/570810394.db2.gz NQHMDOIIJVBSEM-AQTBWJFISA-N 0 0 356.426 3.904 40 10 FHCBRN O=C(Oc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1ccc(F)cc1 ZINC000113830367 570825311 /nfs/dbraw/zinc/82/53/11/570825311.db2.gz PLMKLJXLJHQABI-NTEUORMPSA-N 0 0 359.403 3.534 40 10 FHCBRN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNCc1nc2ccccc2[nH]1 ZINC000016160670 570851542 /nfs/dbraw/zinc/85/15/42/570851542.db2.gz VJFGPLZQQULOEF-GDNBJRDFSA-N 0 0 365.824 3.613 40 10 FHCBRN COc1ccc(CN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 ZINC000016216710 570852480 /nfs/dbraw/zinc/85/24/80/570852480.db2.gz QLVBEASAOAHLEW-YBEGLDIGSA-N 0 0 357.456 3.802 40 10 FHCBRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1OCCc2ccccc21 ZINC000019661637 570897410 /nfs/dbraw/zinc/89/74/10/570897410.db2.gz LBIXEUCVXNFOAL-NRFANRHFSA-N 0 0 350.462 3.607 40 10 FHCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000058850533 571086009 /nfs/dbraw/zinc/08/60/09/571086009.db2.gz DGCICPYZEABTOA-UHFFFAOYSA-N 0 0 371.418 3.803 40 10 FHCBRN Cc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br ZINC000058866083 571086418 /nfs/dbraw/zinc/08/64/18/571086418.db2.gz FNKWNJPLKTVDHL-UHFFFAOYSA-N 0 0 351.196 3.511 40 10 FHCBRN COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1sccc1C ZINC000058884024 571087545 /nfs/dbraw/zinc/08/75/45/571087545.db2.gz WWPJWJMMEYBBOZ-WJDWOHSUSA-N 0 0 369.442 3.942 40 10 FHCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000033768404 571309798 /nfs/dbraw/zinc/30/97/98/571309798.db2.gz IEDQAJUCNKNLOD-RMENWYJGSA-N 0 0 363.413 3.826 40 10 FHCBRN CCc1ccccc1NC1=NC(=O)C(=C2C(=O)Nc3ccc(F)cc32)S1 ZINC000005373353 204206289 /nfs/dbraw/zinc/20/62/89/204206289.db2.gz VRXPBWDEIJHWJN-NXVVXOECSA-N 0 0 367.405 3.793 40 10 FHCBRN COc1cccc(/C=C2/SC(=S)N(C(=O)c3ccccc3)C2=O)c1 ZINC000005514592 204211698 /nfs/dbraw/zinc/21/16/98/204211698.db2.gz ICGQIBAMGWLBRW-RVDMUPIBSA-N 0 0 355.440 3.737 40 10 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CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2OC)cc1 ZINC000222961166 568582752 /nfs/dbraw/zinc/58/27/52/568582752.db2.gz MRBOEJQFRWKDGZ-MRXNPFEDSA-N 0 0 356.466 3.625 40 10 FHCBRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000223195922 568624528 /nfs/dbraw/zinc/62/45/28/568624528.db2.gz CTCYPWUWLXATTO-UHFFFAOYSA-N 0 0 360.523 3.937 40 10 FHCBRN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(SC)cc1 ZINC000000797864 570456942 /nfs/dbraw/zinc/45/69/42/570456942.db2.gz NZERRWCPMFYFFF-BOPFTXTBSA-N 0 0 369.442 3.874 40 10 FHCBRN COC(=O)c1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1 ZINC000101114464 570523434 /nfs/dbraw/zinc/52/34/34/570523434.db2.gz KRQBZSHPIYCRIY-GZTJUZNOSA-N 0 0 369.808 3.845 40 10 FHCBRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1 ZINC000008028870 570676510 /nfs/dbraw/zinc/67/65/10/570676510.db2.gz VHSCOOUXTUSDAK-NYYWCZLTSA-N 0 0 356.853 3.711 40 10 FHCBRN O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)c1ccccc1 ZINC000035625263 570681647 /nfs/dbraw/zinc/68/16/47/570681647.db2.gz KOECLNIZBIJEBS-GXDHUFHOSA-N 0 0 374.874 3.886 40 10 FHCBRN Cc1cc(-c2ccc(C=C3SC(=S)NC3=O)o2)cc([N+](=O)[O-])c1C ZINC000408818039 570689595 /nfs/dbraw/zinc/68/95/95/570689595.db2.gz OTOYHGFUKJGQBI-AUWJEWJLSA-N 0 0 360.416 3.960 40 10 FHCBRN CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1 ZINC000408895893 570695677 /nfs/dbraw/zinc/69/56/77/570695677.db2.gz WIAUHNMBAHXYPZ-RGEXLXHISA-N 0 0 363.413 3.963 40 10 FHCBRN O=C1/C(=C\c2ccc3c(c2)OCCO3)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408971239 570705391 /nfs/dbraw/zinc/70/53/91/570705391.db2.gz DXOHHXODLGZJLQ-UVTDQMKNSA-N 0 0 374.318 3.806 40 10 FHCBRN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1O ZINC000408972702 570706898 /nfs/dbraw/zinc/70/68/98/570706898.db2.gz VAAFNPQBOXCAND-LCYFTJDESA-N 0 0 362.307 3.749 40 10 FHCBRN COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1O ZINC000408972868 570707273 /nfs/dbraw/zinc/70/72/73/570707273.db2.gz WMGBLGJMGBQPLK-RAXLEYEMSA-N 0 0 362.307 3.749 40 10 FHCBRN 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CCN(CC)c1ccc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000223302063 568637107 /nfs/dbraw/zinc/63/71/07/568637107.db2.gz ZBKMSEOIRVMNBU-JLHYYAGUSA-N 0 0 353.422 3.771 40 10 FHCBRN Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc3ccccc32)C1=O ZINC000408533867 570515310 /nfs/dbraw/zinc/51/53/10/570515310.db2.gz PKGJSVGZHSUAKI-GHRIWEEISA-N 0 0 371.396 3.727 40 10 FHCBRN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1F ZINC000005372953 570624739 /nfs/dbraw/zinc/62/47/39/570624739.db2.gz MEUVTBOREAPWOC-JXAWBTAJSA-N 0 0 367.449 3.618 40 10 FHCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] ZINC000408977304 570706951 /nfs/dbraw/zinc/70/69/51/570706951.db2.gz VHCWNDLKDZBRPG-VBKFSLOCSA-N 0 0 370.405 3.600 40 10 FHCBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408995821 570708992 /nfs/dbraw/zinc/70/89/92/570708992.db2.gz FANXWEDNAPJJAS-UYRXBGFRSA-N 0 0 363.413 3.881 40 10 FHCBRN CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)S1 ZINC000409026581 570714808 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S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000225423569 571034468 /nfs/dbraw/zinc/03/44/68/571034468.db2.gz QQMUFJMOJCTRIE-UHFFFAOYSA-N 0 0 355.463 3.502 40 10 FHCBRN COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCCC2)cc1 ZINC000225697284 571056675 /nfs/dbraw/zinc/05/66/75/571056675.db2.gz CGJUPKIPGFPLLT-AWEZNQCLSA-N 0 0 356.495 3.738 40 10 FHCBRN O=C1/C(=C/c2ccccc2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000059459818 571089645 /nfs/dbraw/zinc/08/96/45/571089645.db2.gz CDJMAVKYEGFQRY-ZROIWOOFSA-N 0 0 358.400 3.706 40 10 FHCBRN COc1ccc2nc(N=Nc3ccc(N(CCO)CCO)cc3)sc2c1 ZINC000256001570 571148028 /nfs/dbraw/zinc/14/80/28/571148028.db2.gz SJZTZHPYEJPQME-UHFFFAOYSA-N 0 0 372.450 3.511 40 10 FHCBRN COc1ccc(N2CCC(Nc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000585168579 571237287 /nfs/dbraw/zinc/23/72/87/571237287.db2.gz UGQNIATWGOHSFS-UHFFFAOYSA-N 0 0 365.477 3.903 40 10 FHCBRN CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C ZINC000001125681 219374880 /nfs/dbraw/zinc/37/48/80/219374880.db2.gz BHGFKQBXKQVOKX-LICLKQGHSA-N 0 0 357.841 3.871 40 10 FHCBRN O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)C1CCCCC1 ZINC000005552729 204215025 /nfs/dbraw/zinc/21/50/25/204215025.db2.gz YJWDHIPZNQCJTJ-QXAPVUDZSA-N 0 0 362.476 3.649 40 10 FHCBRN Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000072322020 205030703 /nfs/dbraw/zinc/03/07/03/205030703.db2.gz IEGRVGOWNHVUKZ-SFHVURJKSA-N 0 0 371.387 3.634 40 10 biogenic,in-vitro FHCBRN COc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1C ZINC000000924785 206141654 /nfs/dbraw/zinc/14/16/54/206141654.db2.gz JFLKPOPDBJNRER-UHFFFAOYSA-N 0 0 371.437 3.966 40 10 FHCBRN Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004957399 206185335 /nfs/dbraw/zinc/18/53/35/206185335.db2.gz HQKRYDKDVDFLBJ-UHFFFAOYSA-N 0 0 368.418 3.726 40 10 FHCBRN CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O ZINC000019287147 206324269 /nfs/dbraw/zinc/32/42/69/206324269.db2.gz WITDGCSPBMTFDF-GHRIWEEISA-N 0 0 361.511 3.868 40 10 FHCBRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 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ZINC000065222474 221181770 /nfs/dbraw/zinc/18/17/70/221181770.db2.gz FVQMNBCBXHPKSF-MRXNPFEDSA-N 0 0 355.507 3.879 40 10 FHCBRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)ccc1F ZINC000225604176 132285390 /nfs/dbraw/zinc/28/53/90/132285390.db2.gz TZOFCWCICTWHBD-UHFFFAOYSA-N 0 0 362.470 3.603 40 10 FHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OC)cc1 ZINC000408789420 263496373 /nfs/dbraw/zinc/49/63/73/263496373.db2.gz QCYNYXWFROBUDH-VBKFSLOCSA-N 0 0 367.376 3.712 40 10 FHCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(N(C)C)o1 ZINC000408850402 263501244 /nfs/dbraw/zinc/50/12/44/263501244.db2.gz NAIPNPFBFFRDFL-NTEUORMPSA-N 0 0 374.238 3.914 40 10 FHCBRN COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OC ZINC000409002962 263516852 /nfs/dbraw/zinc/51/68/52/263516852.db2.gz XNHYSYMXJGQXIY-QINSGFPZSA-N 0 0 367.376 3.712 40 10 FHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cccnc1 ZINC000409049436 263519996 /nfs/dbraw/zinc/51/99/96/263519996.db2.gz QVTOLMUVKLEADK-WEVVVXLNSA-N 0 0 353.250 3.583 40 10 FHCBRN Cc1cc(/C=C2\NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409196126 263539714 /nfs/dbraw/zinc/53/97/14/263539714.db2.gz TUVGDRKEQHBBME-CHHVJCJISA-N 0 0 364.232 3.923 40 10 FHCBRN CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 ZINC000252394317 520826798 /nfs/dbraw/zinc/82/67/98/520826798.db2.gz GSKBNOMHRXETFC-XVSDVWIESA-N 0 0 371.481 3.502 40 10 FHCBRN COc1ccc(N2CCC([N@H+](CC(=O)[O-])Cc3ccc(C)cc3)CC2)cc1 ZINC000257210894 536669288 /nfs/dbraw/zinc/66/92/88/536669288.db2.gz BWPIUTXWPDZSKW-UHFFFAOYSA-N 0 0 368.477 3.559 40 10 FHCBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408767604 570680957 /nfs/dbraw/zinc/68/09/57/570680957.db2.gz FTJLZHLHWILQSR-UNOMPAQXSA-N 0 0 363.413 3.886 40 10 FHCBRN Cc1ccccc1NC(=O)C[C@H]1SC(=S)N(Cc2ccccc2)C1=O ZINC000009189400 570692271 /nfs/dbraw/zinc/69/22/71/570692271.db2.gz PCSWMDUJKPEZBI-MRXNPFEDSA-N 0 0 370.499 3.753 40 10 FHCBRN CCOc1cc2c(cc1/C=C1\C(=O)N(c3ccccc3)N=C1C)OCO2 ZINC000408963547 570704172 /nfs/dbraw/zinc/70/41/72/570704172.db2.gz CEMHXXGFDLGJQK-SXGWCWSVSA-N 0 0 350.374 3.620 40 10 FHCBRN Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409001919 570710954 /nfs/dbraw/zinc/71/09/54/570710954.db2.gz XYJNLPXRELRVFC-NTEUORMPSA-N 0 0 356.472 3.505 40 10 FHCBRN CCCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)C(C(=O)OC)=C1C ZINC000409205167 570740622 /nfs/dbraw/zinc/74/06/22/570740622.db2.gz OBKCUGGACATJIF-VBKFSLOCSA-N 0 0 373.449 3.567 40 10 FHCBRN COCCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000409233395 570744561 /nfs/dbraw/zinc/74/45/61/570744561.db2.gz VSSUMAITKMXJJM-SAPNQHFASA-N 0 0 360.479 3.750 40 10 FHCBRN CC(C)Oc1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000409346951 570752040 /nfs/dbraw/zinc/75/20/40/570752040.db2.gz OXADRPZMJAQTPZ-IZZDOVSWSA-N 0 0 358.282 3.725 40 10 FHCBRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000010113668 570800849 /nfs/dbraw/zinc/80/08/49/570800849.db2.gz JYYOYAWNOWQIQA-OAQYLSRUSA-N 0 0 368.477 3.769 40 10 FHCBRN COc1ccc(CSCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000010113498 570801073 /nfs/dbraw/zinc/80/10/73/570801073.db2.gz CSMRYGOWMSNKLL-UHFFFAOYSA-N 0 0 370.518 3.845 40 10 FHCBRN COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(C)C ZINC000225204668 571021547 /nfs/dbraw/zinc/02/15/47/571021547.db2.gz BGSUCYNCWAMCCG-UHFFFAOYSA-N 0 0 363.435 3.657 40 10 FHCBRN COc1ccc(CN2C(=O)[C@H](Cc3ccc(F)cc3)SC2=S)cc1 ZINC000008117192 571300517 /nfs/dbraw/zinc/30/05/17/571300517.db2.gz HERSHFJSUYUNID-INIZCTEOSA-N 0 0 361.463 3.806 40 10 FHCBRN C=CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033400565 571309669 /nfs/dbraw/zinc/30/96/69/571309669.db2.gz WOVDKKIITSMHDX-HKWRFOASSA-N 0 0 370.408 3.866 40 10 FHCBRN CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Cl)cc1OC ZINC000033699319 571309787 /nfs/dbraw/zinc/30/97/87/571309787.db2.gz SQYIBTAAIOTRLB-QPEQYQDCSA-N 0 0 357.884 3.968 40 10 FHCBRN Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1Cc1ccccc1 ZINC000107958577 571309952 /nfs/dbraw/zinc/30/99/52/571309952.db2.gz UFECYZNNAMRTJP-STZFKDTASA-N 0 0 371.440 3.615 40 10 FHCBRN CC(C)(C)OC(=O)N(CCc1ccc(N)cc1)C[C@H](O)c1ccccc1 ZINC000065735039 210099004 /nfs/dbraw/zinc/09/90/04/210099004.db2.gz CBVMLUHTBIZQRL-IBGZPJMESA-N 0 0 356.466 3.782 40 10 in-vitro FHCBRN CC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)N(C)C3=O)c2C)cc1 ZINC000016268342 211158922 /nfs/dbraw/zinc/15/89/22/211158922.db2.gz QXPCQYKVBWYKQS-YVLHZVERSA-N 0 0 354.431 3.963 40 10 FHCBRN COc1ccc(CN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 ZINC000016216737 211157500 /nfs/dbraw/zinc/15/75/00/211157500.db2.gz MZWUGQQMKQQVEP-LZYBPNLTSA-N 0 0 373.455 3.508 40 10 FHCBRN O=C(CCCCCN1C(=O)CSC1=S)Nc1ccc(Cl)cc1 ZINC000008288621 210778752 /nfs/dbraw/zinc/77/87/52/210778752.db2.gz OQLNJLHUDPOYFG-UHFFFAOYSA-N 0 0 356.900 3.699 40 10 FHCBRN COc1cccnc1NC(=S)NCc1ccc(N2CCCCC2)cc1 ZINC000225419512 132284712 /nfs/dbraw/zinc/28/47/12/132284712.db2.gz WZDFMUSJKIYGMZ-UHFFFAOYSA-N 0 0 356.495 3.567 40 10 FHCBRN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000225402567 132284717 /nfs/dbraw/zinc/28/47/17/132284717.db2.gz MTCGJADMXURAKC-MRXNPFEDSA-N 0 0 366.461 3.939 40 10 FHCBRN CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O ZINC000409241137 263545524 /nfs/dbraw/zinc/54/55/24/263545524.db2.gz RMZIGZFLRMTPNT-CXUHLZMHSA-N 0 0 357.841 3.969 40 10 FHCBRN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000020111942 523048666 /nfs/dbraw/zinc/04/86/66/523048666.db2.gz NNQVBCJJTUVTKE-OAQYLSRUSA-N 0 0 368.477 3.510 40 10 FHCBRN CC[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000005370670 570624300 /nfs/dbraw/zinc/62/43/00/570624300.db2.gz SXQCMEAUFHOXAA-JORMNFRLSA-N 0 0 374.531 3.679 40 10 FHCBRN COc1ccc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc1Cl ZINC000008161560 570677769 /nfs/dbraw/zinc/67/77/69/570677769.db2.gz ZNNSWOOFHVZZIB-AWEZNQCLSA-N 0 0 367.879 3.913 40 10 FHCBRN COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408764861 570680638 /nfs/dbraw/zinc/68/06/38/570680638.db2.gz AIJZYZXZRRAXJG-AQTBWJFISA-N 0 0 355.434 3.701 40 10 FHCBRN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408811983 570689061 /nfs/dbraw/zinc/68/90/61/570689061.db2.gz MESFBLXTWAATJY-MLPAPPSSSA-N 0 0 350.205 3.581 40 10 FHCBRN COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(OC)c1 ZINC000408893331 570696011 /nfs/dbraw/zinc/69/60/11/570696011.db2.gz MFNHJBKQFKHNHV-UYRXBGFRSA-N 0 0 363.413 3.881 40 10 FHCBRN COc1ccc(OCCCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000010113666 570698644 /nfs/dbraw/zinc/69/86/44/570698644.db2.gz WOKFXPCIVPCQBA-UHFFFAOYSA-N 0 0 368.477 3.771 40 10 FHCBRN CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000408974823 570705818 /nfs/dbraw/zinc/70/58/18/570705818.db2.gz HCZNMBAPPOZZAV-NVNXTCNLSA-N 0 0 354.793 3.870 40 10 FHCBRN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000409022506 570713799 /nfs/dbraw/zinc/71/37/99/570713799.db2.gz QQZASPHBGOILMO-UYRXBGFRSA-N 0 0 363.413 3.568 40 10 FHCBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccncc1 ZINC000409040762 570715408 /nfs/dbraw/zinc/71/54/08/570715408.db2.gz YOHDUNJNCCKWCC-RMKNXTFCSA-N 0 0 353.250 3.583 40 10 FHCBRN COc1cc(C)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C ZINC000409079911 570719929 /nfs/dbraw/zinc/71/99/29/570719929.db2.gz GWNIBUBELXCBDI-SLVCOGOPSA-N 0 0 363.504 3.692 40 10 FHCBRN CSc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000409086017 570720654 /nfs/dbraw/zinc/72/06/54/570720654.db2.gz XXZDKLMIIWBDHJ-OJLMPMFISA-N 0 0 351.518 3.789 40 10 FHCBRN COCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O ZINC000409125452 570729824 /nfs/dbraw/zinc/72/98/24/570729824.db2.gz MMWAVFOVWXMILQ-GHRIWEEISA-N 0 0 360.479 3.668 40 10 FHCBRN CCOc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1Br ZINC000409349155 570752098 /nfs/dbraw/zinc/75/20/98/570752098.db2.gz VENXIOGUNGZSPM-YRNVUSSQSA-N 0 0 358.282 3.679 40 10 FHCBRN CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000005947707 570778056 /nfs/dbraw/zinc/77/80/56/570778056.db2.gz HJSJEXUUIWGYDR-MHWRWJLKSA-N 0 0 355.369 3.555 40 10 FHCBRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010113499 570800988 /nfs/dbraw/zinc/80/09/88/570800988.db2.gz IZFVXWMJECFUBO-UHFFFAOYSA-N 0 0 359.813 3.778 40 10 FHCBRN CCOC(=O)c1ccc(NC(=S)NCCN(C)c2ccccc2)c(C)c1 ZINC000225571700 571046260 /nfs/dbraw/zinc/04/62/60/571046260.db2.gz ITTQTHSPZJZVNW-UHFFFAOYSA-N 0 0 371.506 3.595 40 10 FHCBRN O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000058822877 571086536 /nfs/dbraw/zinc/08/65/36/571086536.db2.gz DXRUAINSHRZTBT-UHFFFAOYSA-N 0 0 372.833 3.674 40 10 FHCBRN CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S ZINC000004746543 571230677 /nfs/dbraw/zinc/23/06/77/571230677.db2.gz CCIKHEHWXYMIKI-QINSGFPZSA-N 0 0 363.504 3.794 40 10 FHCBRN CCCCOC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 ZINC000003009686 571343438 /nfs/dbraw/zinc/34/34/38/571343438.db2.gz JMFQOXXUWMFLBP-SILNSSARSA-N 0 0 366.461 3.867 40 10 FHCBRN CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OCC ZINC000001426984 210075378 /nfs/dbraw/zinc/07/53/78/210075378.db2.gz LPQRBRPSEGZTGS-GHRIWEEISA-N 0 0 360.479 3.940 40 10 FHCBRN O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1c1cccc(O)c1 ZINC000054361188 210068285 /nfs/dbraw/zinc/06/82/85/210068285.db2.gz PTJMRURYWIRWKE-PXNMLYILSA-N 0 0 365.439 3.741 40 10 FHCBRN O=C1c2cccc(Br)c2C(=O)c2cccc(Br)c21 ZINC000032298118 211546805 /nfs/dbraw/zinc/54/68/05/211546805.db2.gz SRRLOAAMZYZYQY-UHFFFAOYSA-N 0 0 366.008 3.987 40 10 FHCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1ccccc1[N+](=O)[O-] ZINC000017107725 211180160 /nfs/dbraw/zinc/18/01/60/211180160.db2.gz JSZTVHLFEOFOQW-FMQUCBEESA-N 0 0 350.338 3.907 40 10 FHCBRN CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)C2=O ZINC000002207920 210382725 /nfs/dbraw/zinc/38/27/25/210382725.db2.gz WCBNEJJRKZLWEM-ZWKOTPCHSA-N 0 0 367.417 3.904 40 10 FHCBRN CCOc1cc(C=C2SC(Nc3ccccc3O)=NC2=O)ccc1O ZINC000001452218 210355120 /nfs/dbraw/zinc/35/51/20/210355120.db2.gz VQMNURRAUQJEMN-MHWRWJLKSA-N 0 0 356.403 3.579 40 10 FHCBRN COc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 ZINC000225745095 132286277 /nfs/dbraw/zinc/28/62/77/132286277.db2.gz QTZQIEWLBXQTOS-UHFFFAOYSA-N 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Cc1ccc([N+](=O)[O-])c2c1nc1ccccc1c2NCCC[N+](C)(C)[O-] ZINC000005843923 570637125 /nfs/dbraw/zinc/63/71/25/570637125.db2.gz JOKMJZADLAEFNT-UHFFFAOYSA-N 0 0 354.410 3.981 40 10 FHCBRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000007146350 570660420 /nfs/dbraw/zinc/66/04/20/570660420.db2.gz VIXXAYAOBUFWLQ-UHFFFAOYSA-N 0 0 373.305 3.880 40 10 FHCBRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1Br ZINC000007701138 570670446 /nfs/dbraw/zinc/67/04/46/570670446.db2.gz HSXHYYVSHPDDDG-RAXLEYEMSA-N 0 0 351.269 3.905 40 10 FHCBRN CCOC(=O)CC1(c2cc(C)cc(C)c2C)C(=O)c2ccccc2C1=O ZINC000408732988 570683864 /nfs/dbraw/zinc/68/38/64/570683864.db2.gz CESZXSPBZCJVNH-UHFFFAOYSA-N 0 0 350.414 3.882 40 10 FHCBRN COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000408892167 570695797 /nfs/dbraw/zinc/69/57/97/570695797.db2.gz GSQBGQZVIUYSDS-RMENWYJGSA-N 0 0 363.413 3.826 40 10 FHCBRN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1c(O)ccc2ccccc21 ZINC000408893310 570696242 /nfs/dbraw/zinc/69/62/42/570696242.db2.gz 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/nfs/dbraw/zinc/34/47/35/571344735.db2.gz SFNWZAHFFZOBBV-SFQUDFHCSA-N 0 0 353.447 3.859 40 10 FHCBRN COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2)C1=O ZINC000003147149 571345074 /nfs/dbraw/zinc/34/50/74/571345074.db2.gz IXWOJIGPXCPBGQ-RVDMUPIBSA-N 0 0 355.440 3.737 40 10 FHCBRN Cc1cccc(N2C(=O)/C(=C3/c4ccccc4N(C)C3=O)SC2=S)c1 ZINC000001190183 219387190 /nfs/dbraw/zinc/38/71/90/219387190.db2.gz SNMRYQKJYFYWAK-FOCLMDBBSA-N 0 0 366.467 3.747 40 10 FHCBRN Cc1cc2cc(CN(C)c3ccc4c(c3)OCO4)c(=O)n(C)c2cc1C ZINC000013564262 220075103 /nfs/dbraw/zinc/07/51/03/220075103.db2.gz TVYJKYIIGNWJTF-UHFFFAOYSA-N 0 0 350.418 3.520 40 10 FHCBRN COc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000013672811 220082497 /nfs/dbraw/zinc/08/24/97/220082497.db2.gz UJOXVHGZCWUMNF-QGZVFWFLSA-N 0 0 368.477 3.769 40 10 FHCBRN O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1Cc1ccco1 ZINC000054361154 221052952 /nfs/dbraw/zinc/05/29/52/221052952.db2.gz GKOIQAXCEURDSP-DHDCSXOGSA-N 0 0 353.428 3.624 40 10 FHCBRN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 ZINC000225402610 132284734 /nfs/dbraw/zinc/28/47/34/132284734.db2.gz MTCGJADMXURAKC-INIZCTEOSA-N 0 0 366.461 3.939 40 10 FHCBRN COc1cccc(OC)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010113093 263362748 /nfs/dbraw/zinc/36/27/48/263362748.db2.gz SAGMSAVLJXVUQM-UHFFFAOYSA-N 0 0 354.450 3.624 40 10 FHCBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCC2)cc1 ZINC000010113065 263363019 /nfs/dbraw/zinc/36/30/19/263363019.db2.gz MLGHKDLKHJGLTC-FMIVXFBMSA-N 0 0 365.433 3.915 40 10 FHCBRN Cc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1C ZINC000010113255 263363201 /nfs/dbraw/zinc/36/32/01/263363201.db2.gz HUGWQFFNYPBREK-UHFFFAOYSA-N 0 0 352.478 3.989 40 10 FHCBRN COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)cc1 ZINC000225303066 536679472 /nfs/dbraw/zinc/67/94/72/536679472.db2.gz KQQYNESWVQFHMC-UHFFFAOYSA-N 0 0 358.869 3.630 40 10 FHCBRN O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1CCCC1 ZINC000005370788 570624239 /nfs/dbraw/zinc/62/42/39/570624239.db2.gz SEWCUKXRTFENKB-FLIHGVEMSA-N 0 0 372.515 3.503 40 10 FHCBRN CCOc1ccc(NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2)cc1 ZINC000035648003 570686134 /nfs/dbraw/zinc/68/61/34/570686134.db2.gz RIIWUAVZHUIBRC-LICLKQGHSA-N 0 0 368.414 3.896 40 10 FHCBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000408811345 570688617 /nfs/dbraw/zinc/68/86/17/570688617.db2.gz LDXHGGGTBJYXFN-SXGWCWSVSA-N 0 0 371.418 3.977 40 10 FHCBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408972825 570707402 /nfs/dbraw/zinc/70/74/02/570707402.db2.gz VXVTWPXPNYUOLD-UVTDQMKNSA-N 0 0 361.279 3.943 40 10 FHCBRN Cc1cc([C@H]2[NH2+]C[C@H](C(=O)[O-])S2)c(C)n1-c1cccc(Cl)c1C ZINC000408980472 570707747 /nfs/dbraw/zinc/70/77/47/570707747.db2.gz WUUDKPAJBVLEHY-CVEARBPZSA-N 0 0 350.871 3.844 40 10 FHCBRN CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@H]1c1ccc(N(C)C)cc1 ZINC000408992986 570708573 /nfs/dbraw/zinc/70/85/73/570708573.db2.gz VKYBHHOJSNQCPI-KRWDZBQOSA-N 0 0 357.479 3.911 40 10 FHCBRN 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