smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c3ccccc3ccc12 ZINC000073291895 191301525 /nfs/dbraw/zinc/30/15/25/191301525.db2.gz VPXQCFYCRKTFHT-UHFFFAOYSA-N 0 0 320.300 3.730 1 10 DHCFRN CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(Cl)c1 ZINC000013560420 181862027 /nfs/dbraw/zinc/86/20/27/181862027.db2.gz NFNIZHGTFPKXQX-KRWDZBQOSA-N 0 0 314.772 3.743 1 10 DHCFRN Nc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 ZINC000100068512 193794777 /nfs/dbraw/zinc/79/47/77/193794777.db2.gz QPHQWNDLBOMYJN-UHFFFAOYSA-N 0 0 318.355 3.820 1 10 DHCFRN CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059888935 184142448 /nfs/dbraw/zinc/14/24/48/184142448.db2.gz PUEWEHOAOWONJT-MJVIPROJSA-N 0 0 311.303 3.722 1 10 DHCFRN Cc1cccc2c1N(C)[C@H]1c3[nH]c4ccccc4c3CCN1C2=O ZINC000095552968 185379269 /nfs/dbraw/zinc/37/92/69/185379269.db2.gz QMQQAASOQCCEOB-LJQANCHMSA-N 0 0 317.392 3.623 1 10 DHCFRN COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1O ZINC000006487282 560205919 /nfs/dbraw/zinc/20/59/19/560205919.db2.gz AQFBDCAGEIMHAX-QWHCGFSZSA-N 0 0 316.397 3.869 1 10 biogenic,in-vitro DHCFRN O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)ccc3o2)s1 ZINC000040954535 183151601 /nfs/dbraw/zinc/15/16/01/183151601.db2.gz DCZDSEJKCXETHT-UHFFFAOYSA-N 0 0 313.747 3.997 1 10 DHCFRN COC(=O)c1coc(-c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000095615559 185382647 /nfs/dbraw/zinc/38/26/47/185382647.db2.gz PMPFPBFKDATMLY-UHFFFAOYSA-N 0 0 314.316 3.675 1 10 DHCFRN O=C1c2ccccc2C(=O)c2c(O)cc(-c3ccccc3)cc21 ZINC000096934743 185392717 /nfs/dbraw/zinc/39/27/17/185392717.db2.gz SCXNWZKFOWETSM-UHFFFAOYSA-N 0 0 300.313 3.835 1 10 DHCFRN COc1ccccc1[C@@H]1CC(c2ccc3ccccc3c2O)=NN1 ZINC000096938892 185393055 /nfs/dbraw/zinc/39/30/55/185393055.db2.gz MRRGXPWFZUZLSG-KRWDZBQOSA-N 0 0 318.376 3.993 1 10 DHCFRN C[C@@]12O[C@@H]1[C@@]13C[C@@H]2CC[C@H]1[C@]1(C)CC(=O)C(=O)C(C)(C)[C@H]1CC3 ZINC000103554002 290921499 /nfs/dbraw/zinc/92/14/99/290921499.db2.gz QIWFJOONKZIJEL-MIJBDROYSA-N 0 0 316.441 3.545 1 10 biogenic,in-vitro DHCFRN Cc1cccc2c1C(=O)N1CCc3c4ccccc4[nH]c3[C@H]1N2C ZINC000095557272 185379596 /nfs/dbraw/zinc/37/95/96/185379596.db2.gz SKXIYCHENBZPQU-IBGZPJMESA-N 0 0 317.392 3.623 1 10 DHCFRN Cc1nc(-c2ccc(F)cc2)cc2c1C(=O)c1ccccc1C2=O ZINC000096933702 185392857 /nfs/dbraw/zinc/39/28/57/185392857.db2.gz WDJBRCNDZNZREM-UHFFFAOYSA-N 0 0 317.319 3.972 1 10 DHCFRN CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 ZINC000169365816 197746530 /nfs/dbraw/zinc/74/65/30/197746530.db2.gz PUEWEHOAOWONJT-UHIISALHSA-N 0 0 311.303 3.722 3 10 DHCFRN Oc1ccc(CCCC[C@@H](O)CCc2ccc(O)c(O)c2)cc1 ZINC000064503775 290926001 /nfs/dbraw/zinc/92/60/01/290926001.db2.gz SENGGJLGUFGNIH-MRXNPFEDSA-N 0 0 316.397 3.510 1 10 biogenic,in-vitro DHCFRN CN(C)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 ZINC000098082150 193783688 /nfs/dbraw/zinc/78/36/88/193783688.db2.gz DPGXDGSUWNJVNX-HNNXBMFYSA-N 0 0 302.324 3.549 1 10 DHCFRN O=C1Nc2ccccc2/C1=C/c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000028563629 182528399 /nfs/dbraw/zinc/52/83/99/182528399.db2.gz KEWSPHFGYMQVFN-AUWJEWJLSA-N 0 0 305.293 3.569 1 10 DHCFRN COc1ccc(N(C)Cc2coc(-c3ccc(O)cc3)n2)cc1 ZINC000072101345 191037028 /nfs/dbraw/zinc/03/70/28/191037028.db2.gz JHOKUIIXXJZGIX-UHFFFAOYSA-N 0 0 310.353 3.692 1 10 DHCFRN O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc3ccccc3c21 ZINC000073199232 191291079 /nfs/dbraw/zinc/29/10/79/191291079.db2.gz HZALMTCPZUUANX-UHFFFAOYSA-N 0 0 320.300 3.730 1 10 DHCFRN CN1c2ccccc2C(=S)N2CCc3c4ccccc4[nH]c3[C@H]12 ZINC000095553029 185379197 /nfs/dbraw/zinc/37/91/97/185379197.db2.gz XMXAXHZSVLMMTQ-GOSISDBHSA-N 0 0 319.433 3.850 1 10 DHCFRN COc1ccc2c(c1)C(=O)c1c(C)c3c(cc1C2=O)C(C)=CC3 ZINC000014715622 290924475 /nfs/dbraw/zinc/92/44/75/290924475.db2.gz OUZOLRKHSBVVKN-UHFFFAOYSA-N 0 0 304.345 3.738 1 10 biogenic,in-vitro DHCFRN Cc1cc(C)n2nc(N)c(/N=N\c3cccc(Cl)c3)c2n1 ZINC000013116689 181829036 /nfs/dbraw/zinc/82/90/36/181829036.db2.gz AYTMKTRTLCIZGP-HNENSFHCSA-N 0 0 300.753 3.997 1 10 DHCFRN O=[N+]([O-])c1c2nonc2ccc1Oc1cc(F)cc(Cl)c1 ZINC000095597458 185382420 /nfs/dbraw/zinc/38/24/20/185382420.db2.gz PBQPESZUWLTKMI-UHFFFAOYSA-N 0 0 309.640 3.716 1 10 DHCFRN O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000072175880 191070439 /nfs/dbraw/zinc/07/04/39/191070439.db2.gz BUSQAGVWBKYCHU-UHFFFAOYSA-N 0 0 323.215 3.892 1 10 DHCFRN Cn1c2ccccc2c2c1C(=O)c1c3ccccc3ncc1C2=O ZINC000084652275 192451660 /nfs/dbraw/zinc/45/16/60/192451660.db2.gz IFXUEPDKPSOJGC-UHFFFAOYSA-N 0 0 312.328 3.502 1 10 DHCFRN CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]21 ZINC000015952395 182025936 /nfs/dbraw/zinc/02/59/36/182025936.db2.gz PUEWEHOAOWONJT-JTNHKYCSSA-N 0 0 311.303 3.722 3 10 DHCFRN CN(C)/N=N/c1c(Br)cccc1Br ZINC000018067150 182092151 /nfs/dbraw/zinc/09/21/51/182092151.db2.gz WBWICXLJINWSOO-VAWYXSNFSA-N 0 0 306.989 3.772 1 10 DHCFRN C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C ZINC000064417197 184296572 /nfs/dbraw/zinc/29/65/72/184296572.db2.gz TZTDRSHGCUYEFB-PIFPLSHESA-N 0 0 319.408 3.985 1 10 DHCFRN CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952397 182025980 /nfs/dbraw/zinc/02/59/80/182025980.db2.gz PUEWEHOAOWONJT-MISXGVKJSA-N 0 0 311.303 3.722 3 10 DHCFRN O=C1NC(=S)C(=Cc2ccccc2Br)S1 ZINC000043069961 183333308 /nfs/dbraw/zinc/33/33/08/183333308.db2.gz QUEGTYHHTRPMBD-YVMONPNESA-N 0 0 300.202 3.574 1 10 DHCFRN C[C@H]1[C@H](c2ccc(O)c(O)c2)O[C@H](c2ccc(O)c(O)c2)[C@H]1C ZINC000035465238 560081557 /nfs/dbraw/zinc/08/15/57/560081557.db2.gz UOYOHSSZOSFAOQ-MOGXELDJSA-N 0 0 316.353 3.594 1 10 biogenic,in-vitro DHCFRN Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@@H]31 ZINC000095557343 185379594 /nfs/dbraw/zinc/37/95/94/185379594.db2.gz DMPZIQBCIITUPA-LJQANCHMSA-N 0 0 317.392 3.623 1 10 DHCFRN COc1cccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c1 ZINC000096938895 185392948 /nfs/dbraw/zinc/39/29/48/185392948.db2.gz PFBLLUKSXSVCLP-GOSISDBHSA-N 0 0 318.376 3.993 1 10 DHCFRN COc1cccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c1 ZINC000096938894 185392968 /nfs/dbraw/zinc/39/29/68/185392968.db2.gz PFBLLUKSXSVCLP-SFHVURJKSA-N 0 0 318.376 3.993 1 10 DHCFRN CC(C)=CCCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000014491137 290920758 /nfs/dbraw/zinc/92/07/58/290920758.db2.gz HYYBBHOZHJSIKO-UHFFFAOYSA-N 0 0 322.360 3.772 1 10 biogenic,in-vitro DHCFRN Cc1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O ZINC000000408471 563252261 /nfs/dbraw/zinc/25/22/61/563252261.db2.gz LNYQSJFKIKAWNL-UHFFFAOYSA-N 0 0 316.312 3.594 1 10 DHCFRN CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccccc1Cl ZINC000096921785 185391612 /nfs/dbraw/zinc/39/16/12/185391612.db2.gz FOKCUXSBXKVVKH-HNNXBMFYSA-N 0 0 302.761 3.532 1 10 DHCFRN O=C(OC1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O ZINC000095556878 185379711 /nfs/dbraw/zinc/37/97/11/185379711.db2.gz SLRAIJKPIHVQCU-UHFFFAOYSA-N 0 0 324.332 3.545 1 10 DHCFRN Cc1ccc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)o1 ZINC000095586000 185381598 /nfs/dbraw/zinc/38/15/98/185381598.db2.gz XLTNAGBYJGLKKA-UHFFFAOYSA-N 0 0 323.396 3.565 1 10 DHCFRN CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(Cl)cc1 ZINC000096921789 185391763 /nfs/dbraw/zinc/39/17/63/185391763.db2.gz HFHWYLAUMSLTRE-HNNXBMFYSA-N 0 0 302.761 3.532 1 10 DHCFRN COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc43)=NN2)cc1 ZINC000096938882 185392898 /nfs/dbraw/zinc/39/28/98/185392898.db2.gz QTUIYOWSYGRGCB-KRWDZBQOSA-N 0 0 318.376 3.993 1 10 DHCFRN CC[C@@H](C)c1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1 ZINC000045351019 183499981 /nfs/dbraw/zinc/49/99/81/183499981.db2.gz OZUIWXOLMHKQDE-SNVBAGLBSA-N 0 0 304.349 3.852 1 10 DHCFRN Nc1ccc(Oc2ncnc3c2ccn3Cc2ccccc2)cc1 ZINC000095556060 185379680 /nfs/dbraw/zinc/37/96/80/185379680.db2.gz QMTUBHOTUQQAFF-UHFFFAOYSA-N 0 0 316.364 3.854 1 10 DHCFRN Cc1cc2cc(C(=O)N3CCCCC3)c(=O)oc2c2ccccc12 ZINC000073164473 191286762 /nfs/dbraw/zinc/28/67/62/191286762.db2.gz WEWWZHAIYCPZHL-UHFFFAOYSA-N 0 0 321.376 3.881 1 10 DHCFRN Cc1ccc(S(=O)(=O)N=NC2c3ccccc3NC2=O)cc1 ZINC000096901862 185390607 /nfs/dbraw/zinc/39/06/07/185390607.db2.gz VSSQXOURQLCLKF-ISLYRVAYSA-N 0 0 315.354 3.655 1 10 DHCFRN C[C@@H]1[C@H](C)[C@@H](c2ccc(O)cc2)O[C@@H]1c1ccc(O)c(O)c1 ZINC000014781697 290924775 /nfs/dbraw/zinc/92/47/75/290924775.db2.gz HKSHEXWQPGOEAT-RJTFECQESA-N 0 0 300.354 3.888 1 10 biogenic,in-vitro DHCFRN O=C1c2c(ccc(O)c2O)CN1Cc1ccc(Cl)c(Cl)c1 ZINC000043025194 183331427 /nfs/dbraw/zinc/33/14/27/183331427.db2.gz BKVFAAGPOJCBHT-UHFFFAOYSA-N 0 0 324.163 3.561 1 10 DHCFRN Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31 ZINC000095557344 185379605 /nfs/dbraw/zinc/37/96/05/185379605.db2.gz DMPZIQBCIITUPA-IBGZPJMESA-N 0 0 317.392 3.623 1 10 DHCFRN Cc1c(NN=C2C=CC(=O)C=C2)c(=O)n(-c2ccccc2)n1C ZINC000006383608 181336682 /nfs/dbraw/zinc/33/66/82/181336682.db2.gz DCCUAOUTZOLKIT-HNENSFHCSA-N 0 0 308.341 3.605 1 10 DHCFRN COc1cc2c(cc1C)NC(=O)/C2=C/c1c[nH]c2ccccc12 ZINC000058563891 184123026 /nfs/dbraw/zinc/12/30/26/184123026.db2.gz DJZCQLOTDSVFMB-OVCLIPMQSA-N 0 0 304.349 3.978 1 10 DHCFRN Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1 ZINC000096930197 185392290 /nfs/dbraw/zinc/39/22/90/185392290.db2.gz MWPLCSJZNAXQEB-UHFFFAOYSA-N 0 0 310.305 3.549 1 10 DHCFRN Oc1ccc(/C=C/c2cc(O)c(O)c3c(O)cccc23)cc1O ZINC000085569233 290926000 /nfs/dbraw/zinc/92/60/00/290926000.db2.gz KXUJTXMFXWIYGH-GQCTYLIASA-N 0 0 310.305 3.538 1 10 biogenic,in-vitro DHCFRN CN1c2ccccc2C(=S)N2CCc3c4ccccc4[nH]c3[C@@H]12 ZINC000095553030 185379126 /nfs/dbraw/zinc/37/91/26/185379126.db2.gz XMXAXHZSVLMMTQ-SFHVURJKSA-N 0 0 319.433 3.850 1 10 DHCFRN COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729360 181143867 /nfs/dbraw/zinc/14/38/67/181143867.db2.gz WYKAPJFLVOOMKV-UYAOXDASSA-N 0 0 324.424 3.907 1 10 DHCFRN CCOC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 ZINC000096937644 185392981 /nfs/dbraw/zinc/39/29/81/185392981.db2.gz HHYQMNSRTBZUSU-INIZCTEOSA-N 0 0 310.353 3.700 1 10 DHCFRN COc1ccc([C@H]2CC(c3c(O)ccc4ccccc43)=NN2)cc1 ZINC000096938883 185392990 /nfs/dbraw/zinc/39/29/90/185392990.db2.gz QTUIYOWSYGRGCB-QGZVFWFLSA-N 0 0 318.376 3.993 1 10 DHCFRN CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]21 ZINC000015952396 182025760 /nfs/dbraw/zinc/02/57/60/182025760.db2.gz PUEWEHOAOWONJT-GYSYKLTISA-N 0 0 311.303 3.722 1 10 DHCFRN Nc1ccc(Nc2ncnc3c4cc(N)ccc4sc32)cc1 ZINC000064532173 190703128 /nfs/dbraw/zinc/70/31/28/190703128.db2.gz XVZJZCMOBXPVKG-UHFFFAOYSA-N 0 0 307.382 3.753 1 10 DHCFRN C[C@@H]1[C@@H](C)[C@H](c2ccc(O)c(O)c2)O[C@H]1c1ccc(O)cc1 ZINC000095912038 560057598 /nfs/dbraw/zinc/05/75/98/560057598.db2.gz HKSHEXWQPGOEAT-LWCUXCJMSA-N 0 0 300.354 3.888 1 10 biogenic,in-vitro DHCFRN COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729356 181143886 /nfs/dbraw/zinc/14/38/86/181143886.db2.gz WYKAPJFLVOOMKV-ICSRJNTNSA-N 0 0 324.424 3.907 1 10 DHCFRN CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccccc1Cl ZINC000096921786 185391616 /nfs/dbraw/zinc/39/16/16/185391616.db2.gz FOKCUXSBXKVVKH-OAHLLOKOSA-N 0 0 302.761 3.532 1 10 DHCFRN CN1N=C(c2ccc(O)cc2O)C[C@H]1c1cccc(Cl)c1 ZINC000096921787 185391744 /nfs/dbraw/zinc/39/17/44/185391744.db2.gz HRDLYKLTNMIJLI-HNNXBMFYSA-N 0 0 302.761 3.532 1 10 DHCFRN COc1ccccc1[C@H]1CC(c2ccc3ccccc3c2O)=NN1 ZINC000096938893 185393100 /nfs/dbraw/zinc/39/31/00/185393100.db2.gz MRRGXPWFZUZLSG-QGZVFWFLSA-N 0 0 318.376 3.993 1 10 DHCFRN COc1ccc(-c2nc(CN(C)c3ccc(OC)cc3)co2)cc1 ZINC000072185372 191073470 /nfs/dbraw/zinc/07/34/70/191073470.db2.gz HLEVAVDDABVCEM-UHFFFAOYSA-N 0 0 324.380 3.995 1 10 DHCFRN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000005574939 181259218 /nfs/dbraw/zinc/25/92/18/181259218.db2.gz NOYGOWYVUFENNY-OJBHXIBPSA-N 0 0 316.397 3.869 1 10 DHCFRN CCOC(=O)c1[nH]cnc1NN=C1C=CC(=O)c2ccccc21 ZINC000006024575 181307010 /nfs/dbraw/zinc/30/70/10/181307010.db2.gz SMGYFZSOYSBSPT-FMQUCBEESA-N 0 0 310.313 3.861 1 10 DHCFRN COc1cc2c(/C=C3/C(=O)Nc4ccccc43)c[nH]c2cc1C ZINC000058576482 184123036 /nfs/dbraw/zinc/12/30/36/184123036.db2.gz CNRYKOGHRMEXKZ-OVCLIPMQSA-N 0 0 304.349 3.978 1 10 DHCFRN CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1cccc(Cl)c1 ZINC000096921788 185391678 /nfs/dbraw/zinc/39/16/78/185391678.db2.gz HRDLYKLTNMIJLI-OAHLLOKOSA-N 0 0 302.761 3.532 1 10 DHCFRN O=[S@@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(Cl)cc1 ZINC000169337040 197743759 /nfs/dbraw/zinc/74/37/59/197743759.db2.gz MCURAGAWMOVGIJ-DUIUGDAFSA-N 0 0 308.786 3.671 1 10 DHCFRN CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 ZINC000040392887 183060972 /nfs/dbraw/zinc/06/09/72/183060972.db2.gz OTNVAWFTTKQJMY-CQSZACIVSA-N 0 0 313.422 3.572 1 10 DHCFRN Oc1ccc(CCCC[C@H](O)CCc2ccc(O)c(O)c2)cc1 ZINC000064526958 560078514 /nfs/dbraw/zinc/07/85/14/560078514.db2.gz SENGGJLGUFGNIH-INIZCTEOSA-N 0 0 316.397 3.510 1 10 biogenic,in-vitro DHCFRN Cc1cccc2c1C(=O)N1CCc3c4ccccc4[nH]c3[C@@H]1N2C ZINC000095557271 185379588 /nfs/dbraw/zinc/37/95/88/185379588.db2.gz SKXIYCHENBZPQU-LJQANCHMSA-N 0 0 317.392 3.623 1 10 DHCFRN COc1ccc(C(C)=C2SC(c3ccc(N)cc3)=NC2=O)cc1 ZINC000084652253 192451701 /nfs/dbraw/zinc/45/17/01/192451701.db2.gz MHLOBOPVOQOLGQ-WJDWOHSUSA-N 0 0 324.405 3.729 1 10 DHCFRN COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1 ZINC000004729359 181143770 /nfs/dbraw/zinc/14/37/70/181143770.db2.gz WYKAPJFLVOOMKV-QUCCMNQESA-N 0 0 324.424 3.907 1 10 DHCFRN CNc1c(OC)cc2ccnc3c2c1C(=O)c1cc(OC)ccc1-3 ZINC000013432681 560216637 /nfs/dbraw/zinc/21/66/37/560216637.db2.gz YRFCNSUMOFQEFS-UHFFFAOYSA-N 0 0 320.348 3.505 1 10 biogenic,in-vitro DHCFRN Cc1cccc2c1N(C)[C@@H]1c3[nH]c4ccccc4c3CCN1C2=O ZINC000095552967 185379071 /nfs/dbraw/zinc/37/90/71/185379071.db2.gz QMQQAASOQCCEOB-IBGZPJMESA-N 0 0 317.392 3.623 1 10 DHCFRN O=C1c2ccccc2C(=O)c2c(O)cc(-c3ccc(F)cc3)cc21 ZINC000096934745 185392813 /nfs/dbraw/zinc/39/28/13/185392813.db2.gz WAXWOWSHXSNQOH-UHFFFAOYSA-N 0 0 318.303 3.974 1 10 DHCFRN CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 ZINC000059888940 184142460 /nfs/dbraw/zinc/14/24/60/184142460.db2.gz PUEWEHOAOWONJT-COPLHBTASA-N 0 0 311.303 3.722 3 10 DHCFRN COc1c(O)c(O)c(O)c(-c2ccc(O)cc2)c1CC=C(C)C ZINC000014648147 560223838 /nfs/dbraw/zinc/22/38/38/560223838.db2.gz TYQDIMAUEKKDNH-UHFFFAOYSA-N 0 0 316.353 3.693 1 10 biogenic,in-vitro DHCFRN CC(C)=CCc1cc(CCc2cc(O)cc(O)c2)cc(O)c1O ZINC000015115156 560228480 /nfs/dbraw/zinc/22/84/80/560228480.db2.gz OLUUBKULUYLOQV-UHFFFAOYSA-N 0 0 314.381 3.803 1 10 biogenic,in-vitro DHCFRN Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O ZINC000013479537 581091337 /nfs/dbraw/zinc/09/13/37/581091337.db2.gz NWMJGRUHWFROPM-UHFFFAOYSA-N 0 0 322.286 3.718 1 10 DHCFRN CCC(CC)CN1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O ZINC000084711410 192459675 /nfs/dbraw/zinc/45/96/75/192459675.db2.gz XIWOFXACPNHDKB-ZSOIEALJSA-N 0 0 321.398 3.570 1 10 DHCFRN Cc1cccc(COc2ccc3c(c2)-c2nnc(C)cc2C3=O)c1 ZINC000073196515 191289966 /nfs/dbraw/zinc/28/99/66/191289966.db2.gz DRRZSXLTBMFREF-UHFFFAOYSA-N 0 0 316.360 3.884 1 10 DHCFRN O=NNc1ccc(S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000006229423 181321426 /nfs/dbraw/zinc/32/14/26/181321426.db2.gz PMXXZYWRDRBKCQ-UHFFFAOYSA-N 0 0 313.338 3.541 1 10 DHCFRN CCN(CC)c1ccc(/N=N\c2nn(C)c(C)c2[N+](=O)[O-])cc1 ZINC000018158023 182095335 /nfs/dbraw/zinc/09/53/35/182095335.db2.gz CBTVICGCXKAORE-MSUUIHNZSA-N 0 0 316.365 3.898 1 10 DHCFRN Cc1ccc2c(c1)C(=O)N1CCc3c4ccccc4[nH]c3[C@H]1N2C ZINC000095555300 185379660 /nfs/dbraw/zinc/37/96/60/185379660.db2.gz MZWABRRIUFTTQU-IBGZPJMESA-N 0 0 317.392 3.623 1 10 DHCFRN CO[C@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 ZINC000070454951 560047879 /nfs/dbraw/zinc/04/78/79/560047879.db2.gz UQINOKJCWAILFO-LJQANCHMSA-N 0 0 310.349 3.832 1 10 biogenic,in-vitro DHCFRN O=C1NC(=S)C(=Cc2cccc(Br)c2)S1 ZINC000005756871 181280860 /nfs/dbraw/zinc/28/08/60/181280860.db2.gz QTLRJJODRZUIPD-YVMONPNESA-N 0 0 300.202 3.574 1 10 DHCFRN CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 ZINC000015952398 182025959 /nfs/dbraw/zinc/02/59/59/182025959.db2.gz PUEWEHOAOWONJT-WDMOLILDSA-N 0 0 311.303 3.722 1 10 DHCFRN Cc1cc2c(nn1)-c1cc(OCc3ccccc3)ccc1C2=O ZINC000035787432 581091308 /nfs/dbraw/zinc/09/13/08/581091308.db2.gz OMKKTMGPWJJUAR-UHFFFAOYSA-N 0 0 302.333 3.575 1 10 DHCFRN Cc1ccc2c(c1)C(=O)N1CCc3c4ccccc4[nH]c3[C@@H]1N2C ZINC000095555299 185379760 /nfs/dbraw/zinc/37/97/60/185379760.db2.gz MZWABRRIUFTTQU-LJQANCHMSA-N 0 0 317.392 3.623 1 10 DHCFRN CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(Cl)cc1 ZINC000096921790 185391731 /nfs/dbraw/zinc/39/17/31/185391731.db2.gz HFHWYLAUMSLTRE-OAHLLOKOSA-N 0 0 302.761 3.532 1 10 DHCFRN CCOC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 ZINC000096937645 185393116 /nfs/dbraw/zinc/39/31/16/185393116.db2.gz HHYQMNSRTBZUSU-MRXNPFEDSA-N 0 0 310.353 3.700 1 10 DHCFRN Cc1ccc(S(=O)(=O)N=NC2c3ccccc3NC2=O)cc1 ZINC000096901861 185390521 /nfs/dbraw/zinc/39/05/21/185390521.db2.gz VSSQXOURQLCLKF-ZCXUNETKSA-N 0 0 315.354 3.655 1 10 DHCFRN Oc1ccc(-c2cc(O)c(-c3ccc(O)c(O)c3)c(O)c2)cc1 ZINC000096930196 185392175 /nfs/dbraw/zinc/39/21/75/185392175.db2.gz UYKJZEFTPCBTFN-UHFFFAOYSA-N 0 0 310.305 3.549 1 10 DHCFRN Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 ZINC000003814551 181046980 /nfs/dbraw/zinc/04/69/80/181046980.db2.gz VKXXAEDUKIIITF-UHFFFAOYSA-N 0 0 311.406 3.856 1 10 DHCFRN COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1 ZINC000004729358 181143741 /nfs/dbraw/zinc/14/37/41/181143741.db2.gz WYKAPJFLVOOMKV-AZUAARDMSA-N 0 0 324.424 3.907 1 10 DHCFRN Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(N(C)C)cc1 ZINC000040866473 183144592 /nfs/dbraw/zinc/14/45/92/183144592.db2.gz QLWDJBTWDYZGAE-ZROIWOOFSA-N 0 0 312.394 3.787 1 10 DHCFRN