smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)n(C)c2cc1C ZINC000028655912 211496009 /nfs/dbraw/zinc/49/60/09/211496009.db2.gz NZOFFEYNWIPCFH-OVCLIPMQSA-N 0 0 370.811 4.781 1 10 FJCFRN CCOC1=C2N=C([C@@H](CC)c3ccccc3F)N=C2C(=O)c2ccccc21 ZINC000005502278 210624167 /nfs/dbraw/zinc/62/41/67/210624167.db2.gz ALYWAMQRXVVHOD-ZDUSSCGKSA-N 0 0 362.404 4.774 1 10 FJCFRN COc1ccc2c(c1)/C(=C\c1c(Cl)[nH]c3cc(C)c(OC)cc13)C(=O)N2 ZINC000001864217 210373546 /nfs/dbraw/zinc/37/35/46/210373546.db2.gz JARQRNKMCPAXLT-OVCLIPMQSA-N 0 0 368.820 4.640 1 10 FJCFRN Cc1ccc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)o1 ZINC000095591235 132215996 /nfs/dbraw/zinc/21/59/96/132215996.db2.gz XXBBBKLXCPUIKO-UHFFFAOYSA-N 0 0 373.456 4.718 1 10 FJCFRN Cc1c(CNc2ccc(Cl)cc2)oc2c1C(=O)C(=O)c1ccccc1-2 ZINC000169353730 222566173 /nfs/dbraw/zinc/56/61/73/222566173.db2.gz WAFZWPXZRIUPSJ-UHFFFAOYSA-N 0 0 351.789 4.900 1 10 FJCFRN COc1ccc2[nH]c(Cl)c(/C=C3/C(=O)Nc4cc(C)c(OC)cc43)c2c1 ZINC000006019197 204235360 /nfs/dbraw/zinc/23/53/60/204235360.db2.gz FBUJSIPNYSGTNE-OVCLIPMQSA-N 0 0 368.820 4.640 1 10 FJCFRN COc1cc2c(cc1C)[nH]c(Cl)c2/C=C1/C(=O)Nc2cc(C)c(O)cc21 ZINC000006522233 204252824 /nfs/dbraw/zinc/25/28/24/204252824.db2.gz JLYILVOUFBTGIX-MKMNVTDBSA-N 0 0 368.820 4.645 1 10 FJCFRN Cc1ccc(Nc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc32)c(C)c1 ZINC000058592414 212011887 /nfs/dbraw/zinc/01/18/87/212011887.db2.gz MDJTWXQTWAMHBY-UHFFFAOYSA-N 0 0 373.412 4.774 1 10 FJCFRN COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 ZINC000064447396 205298897 /nfs/dbraw/zinc/29/88/97/205298897.db2.gz GCNWOGZMFCMHFV-PGMHBOJBSA-N 0 0 354.409 4.530 1 10 FJCFRN CCCCCCOc1cc(=O)c2c(O)cc(-c3ccc(O)c(O)c3)oc-2c1 ZINC000096273313 222107224 /nfs/dbraw/zinc/10/72/24/222107224.db2.gz OAVBFNPMFUTTAH-UHFFFAOYSA-N 0 0 370.401 4.536 1 10 FJCFRN CO[C@@]12C(=C(c3ccccc3)C1c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096934693 222142186 /nfs/dbraw/zinc/14/21/86/222142186.db2.gz UTSSIOBVCWUDCP-WIOPSUGQSA-N 0 0 366.416 4.692 1 10 FJCFRN COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(C)[C@@H]1N2Cc1ccccc1 ZINC000040845220 205082757 /nfs/dbraw/zinc/08/27/57/205082757.db2.gz JPVMUILNRYSVCX-RPWUZVMVSA-N 0 0 362.517 4.971 1 10 FJCFRN Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000045365537 211816423 /nfs/dbraw/zinc/81/64/23/211816423.db2.gz CGMKEYBUSRPCPE-NRFANRHFSA-N 0 0 373.481 4.940 1 10 FJCFRN CN1C(=O)C(=CC2=CC(=NNc3ccccc3)C=CC2=O)SC1=S ZINC000102695161 205977946 /nfs/dbraw/zinc/97/79/46/205977946.db2.gz QVELRKGNIMJGHK-QNNPSDNZSA-N 0 0 355.444 4.639 1 10 FJCFRN COc1cc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)ccc1O ZINC000096913166 222139192 /nfs/dbraw/zinc/13/91/92/222139192.db2.gz YNKPXBYKHSVHEM-CUJSYCCXSA-N 0 0 360.457 4.918 1 10 FJCFRN C[C@@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C ZINC000005463169 204210835 /nfs/dbraw/zinc/21/08/35/204210835.db2.gz ODIOSANOAXDMJQ-AWEZNQCLSA-N 0 0 351.494 4.796 1 10 FJCFRN CC(=O)N1N=C(c2c(O)ccc3ccccc32)C[C@H]1c1ccc(Cl)cc1 ZINC000005838537 204226711 /nfs/dbraw/zinc/22/67/11/204226711.db2.gz QPODRDQMOHSPOG-IBGZPJMESA-N 0 0 364.832 4.896 1 10 FJCFRN O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccc(Cl)cc1 ZINC000072138201 221418022 /nfs/dbraw/zinc/41/80/22/221418022.db2.gz AQNDWTVLZSMOQU-FMIVXFBMSA-N 0 0 373.843 4.664 1 10 FJCFRN CC(C)c1ccc([C@]2(c3ccc(O)c(O)c3)OC(=O)c3ccccc32)cc1 ZINC000103191026 222324589 /nfs/dbraw/zinc/32/45/89/222324589.db2.gz PIZIIMOLJBZNSQ-HSZRJFAPSA-N 0 0 360.409 4.684 1 10 FJCFRN Cc1cc(C2=NN(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O ZINC000103283067 222332598 /nfs/dbraw/zinc/33/25/98/222332598.db2.gz BDPSDLDCBLWPFT-OAQYLSRUSA-N 0 0 373.412 4.965 1 10 FJCFRN COc1ccc(-c2cc(OC)c3c4cc(O)c(O)cc4oc3c2OC)cc1 ZINC000013382941 560216042 /nfs/dbraw/zinc/21/60/42/560216042.db2.gz WGKJZQZVJSKRPI-UHFFFAOYSA-N 0 0 366.369 4.690 1 10 in-vitro FJCFRN COc1ccc2[nH]c3cc([N+](=O)[O-])ccc3c(=[NH+][N-]c3ccccc3)c2c1 ZINC000005581258 204216934 /nfs/dbraw/zinc/21/69/34/204216934.db2.gz WGFIQRJRSMXFIZ-UHFFFAOYSA-N 0 0 360.373 4.744 1 10 FJCFRN COc1ccc(NC(=S)NN=c2c3ccccc3[nH]c3ccccc32)cc1 ZINC000038267574 205040156 /nfs/dbraw/zinc/04/01/56/205040156.db2.gz PZQXACSMXZECIU-UHFFFAOYSA-N 0 0 374.469 4.710 1 10 FJCFRN CCCCCc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O ZINC000036741099 205021364 /nfs/dbraw/zinc/02/13/64/205021364.db2.gz MSLKEHIECXNDCX-UHFFFAOYSA-N 0 0 366.505 4.772 1 10 FJCFRN Oc1cc(Cc2cc(O)c(O)c(Cl)c2Cl)c(Cl)c(Cl)c1O ZINC000040935138 205085511 /nfs/dbraw/zinc/08/55/11/205085511.db2.gz VPAZGXKSWFSKBX-UHFFFAOYSA-N 0 0 370.015 4.713 1 10 FJCFRN CCOC1=C2N=C([C@H](CC)c3ccccc3F)N=C2C(=O)c2ccccc21 ZINC000001629477 210361387 /nfs/dbraw/zinc/36/13/87/210361387.db2.gz ALYWAMQRXVVHOD-CYBMUJFWSA-N 0 0 362.404 4.774 1 10 FJCFRN Cc1ccc(N2N=C3COc4ccc(-c5ccccc5)cc4C=C3C2=O)cc1 ZINC000103257003 222329655 /nfs/dbraw/zinc/32/96/55/222329655.db2.gz OGPQTZPIHBHYJP-UHFFFAOYSA-N 0 0 366.420 4.841 1 10 FJCFRN CN(C)c1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000038141760 517914603 /nfs/dbraw/zinc/91/46/03/517914603.db2.gz KFTVGEUBKKHEIQ-FPLPWBNLSA-N 0 0 363.373 4.893 1 10 FJCFRN Oc1ccc(C2=Cc3c(cc(O)c(O)c3CCc3ccccc3)CC2)cc1O ZINC000085569238 291085195 /nfs/dbraw/zinc/08/51/95/291085195.db2.gz SKBBKRUSCOPRGX-UHFFFAOYSA-N 0 0 374.436 4.781 1 10 biogenic,in-vitro FJCFRN CCCCOc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000003204216 204082347 /nfs/dbraw/zinc/08/23/47/204082347.db2.gz OTTGWRLXSPOWBW-UHFFFAOYSA-N 0 0 372.218 4.981 1 10 FJCFRN CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)N[C@@H](c2ccncc2)C1 ZINC000005499101 204211996 /nfs/dbraw/zinc/21/19/96/204211996.db2.gz SSPKLSZDKQGWSO-LJQANCHMSA-N 0 0 367.408 4.506 1 10 FJCFRN CC1=Nc2c(ccc3c2C(=O)c2ccccc2C3=O)N[C@H](c2ccncc2)C1 ZINC000005499096 204212077 /nfs/dbraw/zinc/21/20/77/204212077.db2.gz SSPKLSZDKQGWSO-IBGZPJMESA-N 0 0 367.408 4.506 1 10 FJCFRN COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(C)[C@@H]1N2Cc1ccccc1 ZINC000040845221 205083420 /nfs/dbraw/zinc/08/34/20/205083420.db2.gz JPVMUILNRYSVCX-DNQXCXABSA-N 0 0 362.517 4.971 1 10 FJCFRN CC(C)c1ccc([C@@]2(c3ccc(O)c(O)c3)OC(=O)c3ccccc32)cc1 ZINC000103191023 205987314 /nfs/dbraw/zinc/98/73/14/205987314.db2.gz PIZIIMOLJBZNSQ-QHCPKHFHSA-N 0 0 360.409 4.684 1 10 FJCFRN O=C1C(=C/C=C/c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1 ZINC000027649370 211468721 /nfs/dbraw/zinc/46/87/21/211468721.db2.gz RUUASTZWROXSLJ-JLHYYAGUSA-N 0 0 366.420 4.621 1 10 FJCFRN CC1(C)Cc2c(-c3cc[nH]n3)sc(Sc3nccs3)c2C(=O)C1 ZINC000013472683 211036186 /nfs/dbraw/zinc/03/61/86/211036186.db2.gz LBVOFGFYNPOQHT-UHFFFAOYSA-N 0 0 361.517 4.901 1 10 FJCFRN CCOC1=C2N=C([C@@H](CC)c3ccc(F)cc3)N=C2C(=O)c2ccccc21 ZINC000005502276 210624345 /nfs/dbraw/zinc/62/43/45/210624345.db2.gz JAOWQLNBEWEPQB-HNNXBMFYSA-N 0 0 362.404 4.774 1 10 FJCFRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N(C)C ZINC000101825383 222285620 /nfs/dbraw/zinc/28/56/20/222285620.db2.gz HCNMSQSOROVBQU-ZCXUNETKSA-N 0 0 374.271 4.689 1 10 FJCFRN Cc1c(Cl)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 ZINC000013762074 207485367 /nfs/dbraw/zinc/48/53/67/207485367.db2.gz KNSJGVMOBINZFT-UHFFFAOYSA-N 0 0 363.841 4.649 1 10 FJCFRN COc1ccc([C@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000101199974 222265075 /nfs/dbraw/zinc/26/50/75/222265075.db2.gz FMQCSUOOUCKXTD-VWKPWSFCSA-N 0 0 364.401 4.633 1 10 FJCFRN CC(=O)N1N=C(c2c(O)ccc3ccccc32)C[C@@H]1c1ccc(Cl)cc1 ZINC000005855424 207118375 /nfs/dbraw/zinc/11/83/75/207118375.db2.gz QPODRDQMOHSPOG-LJQANCHMSA-N 0 0 364.832 4.896 1 10 FJCFRN CC(=O)Nc1c(C)cc(C)c2c1C(=O)C(=O)c1c(-c3ccccc3)coc1-2 ZINC000045301301 208329767 /nfs/dbraw/zinc/32/97/67/208329767.db2.gz PBDAQSOVFKIEHJ-UHFFFAOYSA-N 0 0 359.381 4.568 1 10 FJCFRN O=C([O-])CCOc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000026941004 220525717 /nfs/dbraw/zinc/52/57/17/220525717.db2.gz MACGUSJOINIBOU-UHFFFAOYSA-N 0 0 358.397 4.985 1 10 FJCFRN COc1cc2c(/C=C3\c4ccccc4N(C)C3=O)c(Cl)n(C)c2cc1C ZINC000058568921 221120865 /nfs/dbraw/zinc/12/08/65/221120865.db2.gz ZJPOGUVCETZWAY-MHWRWJLKSA-N 0 0 366.848 4.666 1 10 FJCFRN Oc1ccc([C@H]2CC(c3c4ccccc4cc4ccccc43)=NN2)c(O)c1 ZINC000071329256 518203550 /nfs/dbraw/zinc/20/35/50/518203550.db2.gz KPECJCADQDRWRA-HXUWFJFHSA-N 0 0 354.409 4.843 1 10 FJCFRN Cc1ccc(S(=O)(=O)Nc2ccc(NN=C3C=CC(=O)C=C3)cc2)cc1 ZINC000102604644 209237108 /nfs/dbraw/zinc/23/71/08/209237108.db2.gz HYRBPEPJMDRFKR-MRCUWXFGSA-N 0 0 367.430 4.917 1 10 FJCFRN O=C1CCCC2=C1[C@H](c1ccc(O)c(O)c1)c1c(ccc3ncccc31)N2 ZINC000101762618 209231412 /nfs/dbraw/zinc/23/14/12/209231412.db2.gz IPAQIMMPLOKNGP-HXUWFJFHSA-N 0 0 358.397 4.860 1 10 FJCFRN COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)n(C)c2ccccc12 ZINC000005596551 207108084 /nfs/dbraw/zinc/10/80/84/207108084.db2.gz YQMSWYTVZQBFDJ-OQLLNIDSSA-N 0 0 352.821 4.641 1 10 FJCFRN Oc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=S)Nc1ccccc1 ZINC000006423137 207141383 /nfs/dbraw/zinc/14/13/83/207141383.db2.gz QGAFXISBHOBDAE-HXUWFJFHSA-N 0 0 373.481 4.940 1 10 FJCFRN Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccco2)C1 ZINC000040866109 208272008 /nfs/dbraw/zinc/27/20/08/208272008.db2.gz SLPNKONWQMCAOD-QGZVFWFLSA-N 0 0 363.442 4.533 1 10 FJCFRN CC1=NN(c2ccccc2)C(=O)/C1=C1\C=C(C)N(c2ccc(C)cc2)C(=O)O1 ZINC000029060973 136153594 /nfs/dbraw/zinc/15/35/94/136153594.db2.gz FMLLIDIVMXLEHB-FMQUCBEESA-N 0 0 373.412 4.532 1 10 FJCFRN CO[C@]12C(=C(c3ccccc3)C1c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096934696 222142933 /nfs/dbraw/zinc/14/29/33/222142933.db2.gz UTSSIOBVCWUDCP-RDGATRHJSA-N 0 0 366.416 4.692 1 10 FJCFRN CC(C)C[C@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3C=C[C@H]21 ZINC000085569219 291083768 /nfs/dbraw/zinc/08/37/68/291083768.db2.gz BHKKOZZKVAWHHS-WMLDXEAASA-N 0 0 350.414 4.836 1 10 biogenic,in-vitro FJCFRN Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(N)cc1 ZINC000028640555 220579306 /nfs/dbraw/zinc/57/93/06/220579306.db2.gz FFKYDQSCDUWEEE-UHFFFAOYSA-N 0 0 373.283 4.685 1 10 FJCFRN COc1ccc([C@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000058487304 221120774 /nfs/dbraw/zinc/12/07/74/221120774.db2.gz FMQCSUOOUCKXTD-CKJXQJPGSA-N 0 0 364.401 4.633 1 10 FJCFRN Nc1ccc(OC2(Oc3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1 ZINC000100501873 222245664 /nfs/dbraw/zinc/24/56/64/222245664.db2.gz WAWZVMULCDDJKM-UHFFFAOYSA-N 0 0 369.444 4.852 2 10 FJCFRN CCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 ZINC000000756760 219319319 /nfs/dbraw/zinc/31/93/19/219319319.db2.gz UFQZISSKZCGRDZ-UHFFFAOYSA-N 0 0 358.488 4.663 1 10 FJCFRN COc1ccc([C@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000013389437 220065979 /nfs/dbraw/zinc/06/59/79/220065979.db2.gz FMQCSUOOUCKXTD-GCKMJXCFSA-N 0 0 364.401 4.633 1 10 FJCFRN CN(C)c1ccc(/C=C/c2ccc(OCC3COC(C)(C)OC3)cc2)cc1 ZINC000013673432 220083172 /nfs/dbraw/zinc/08/31/72/220083172.db2.gz DAPCVMUQFKTPRT-AATRIKPKSA-N 0 0 367.489 4.701 1 10 FJCFRN O=C(c1ccccc1)c1c2c(nnc1-c1ccccc1)-c1ccccc1C2=O ZINC000013743543 220092183 /nfs/dbraw/zinc/09/21/83/220092183.db2.gz KPMDWNXUFXMQPN-UHFFFAOYSA-N 0 0 362.388 4.586 1 10 FJCFRN O=C(Nc1cccnc1)N1CCc2cc3c(ccn3Cc3ccccc3)cc21 ZINC000013760587 220093343 /nfs/dbraw/zinc/09/33/43/220093343.db2.gz TUCHOKBYAYGQNV-UHFFFAOYSA-N 0 0 368.440 4.679 1 10 FJCFRN COc1ccccc1CC[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000045368730 208332299 /nfs/dbraw/zinc/33/22/99/208332299.db2.gz SYCUGHSMRFDEPF-UHFFFAOYSA-N 0 0 351.421 4.539 1 10 FJCFRN COc1ccc(/C=C2\SC(c3ccc(Br)cc3)=NC2=O)cc1 ZINC000084651918 208961088 /nfs/dbraw/zinc/96/10/88/208961088.db2.gz GYVUTWJLZBIQKO-GDNBJRDFSA-N 0 0 374.259 4.519 1 10 FJCFRN CN(C)c1ccc(-c2cc3cc(I)ccc3[nH]2)cc1 ZINC000053296877 221044455 /nfs/dbraw/zinc/04/44/55/221044455.db2.gz SSEFXRFRRGQZCA-UHFFFAOYSA-N 0 0 362.214 4.506 1 10 FJCFRN CO[C@@]12C(=C(c3ccccc3)C1c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096934695 222142322 /nfs/dbraw/zinc/14/23/22/222142322.db2.gz UTSSIOBVCWUDCP-RCZVLFRGSA-N 0 0 366.416 4.692 1 10 FJCFRN Oc1ccccc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000040867263 208273020 /nfs/dbraw/zinc/27/30/20/208273020.db2.gz CPUSZGGMULHGKM-HXUWFJFHSA-N 0 0 373.481 4.940 1 10 FJCFRN Cc1[nH]c(C)c(-c2ccc(CCc3ccc(N)cc3)cc2)c(=O)c1Cl ZINC000045188880 208328480 /nfs/dbraw/zinc/32/84/80/208328480.db2.gz HENYMEUCFOHFJT-UHFFFAOYSA-N 0 0 352.865 4.680 1 10 FJCFRN CN(C)c1ccc(Cn2c3ccccc3nc2-c2ccc(N(C)C)cc2)cc1 ZINC000073163355 221559198 /nfs/dbraw/zinc/55/91/98/221559198.db2.gz DLXJQBILHMREAC-UHFFFAOYSA-N 0 0 370.500 4.884 1 10 FJCFRN C[C@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2[O-])CC(C)(C)C ZINC000017130454 220207233 /nfs/dbraw/zinc/20/72/33/220207233.db2.gz ODIOSANOAXDMJQ-CQSZACIVSA-N 0 0 351.494 4.796 1 10 FJCFRN O=C1c2ccccc2-c2c1c1c(n2CCCc2ccccc2)CCCC1=O ZINC000073296000 208878355 /nfs/dbraw/zinc/87/83/55/208878355.db2.gz JCCWMVJVFGZDBV-UHFFFAOYSA-N 0 0 355.437 4.851 1 10 FJCFRN N[P@@](=O)([O-])Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000053260363 221044698 /nfs/dbraw/zinc/04/46/98/221044698.db2.gz JYPSIKJKPGPJCC-UHFFFAOYSA-N 0 0 364.345 4.603 1 10 FJCFRN COc1cc2c(cc1C)N(C)C(=O)/C2=C/c1c(Cl)[nH]c2ccccc12 ZINC000058568716 221120174 /nfs/dbraw/zinc/12/01/74/221120174.db2.gz IJCIGWZJHIYAMB-OQLLNIDSSA-N 0 0 352.821 4.655 1 10 FJCFRN CCN(CC)c1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc1 ZINC000071316066 221342033 /nfs/dbraw/zinc/34/20/33/221342033.db2.gz FXZOALWZEQOWBL-UHFFFAOYSA-N 0 0 351.450 4.936 1 10 FJCFRN CC(C)C[C@H]1c2cc(O)c(O)cc2C=C2c3ccc(O)c(O)c3CC[C@H]21 ZINC000085569221 291083778 /nfs/dbraw/zinc/08/37/78/291083778.db2.gz NZIOMKXXWIPSEI-WMLDXEAASA-N 0 0 352.430 4.755 1 10 biogenic,in-vitro FJCFRN Brc1ccccc1-c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC000103189381 209247918 /nfs/dbraw/zinc/24/79/18/209247918.db2.gz ZRWJAFJBNFRVNH-UHFFFAOYSA-N 0 0 366.218 4.957 1 10 FJCFRN O=C1CCCC2=C1[C@@H](c1ccc(O)c(O)c1)c1c(ccc3ncccc31)N2 ZINC000101762611 209230424 /nfs/dbraw/zinc/23/04/24/209230424.db2.gz IPAQIMMPLOKNGP-FQEVSTJZSA-N 0 0 358.397 4.860 1 10 FJCFRN O=C(Oc1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 ZINC000096937653 209164822 /nfs/dbraw/zinc/16/48/22/209164822.db2.gz UJKGEFXFFCFHGA-HXUWFJFHSA-N 0 0 358.397 4.742 1 10 FJCFRN CN(C)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000013734164 220091322 /nfs/dbraw/zinc/09/13/22/220091322.db2.gz BGTQMUMIKLPHHV-PTNGSMBKSA-N 0 0 360.523 4.519 1 10 FJCFRN Oc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000045365540 208331674 /nfs/dbraw/zinc/33/16/74/208331674.db2.gz CGMKEYBUSRPCPE-OAQYLSRUSA-N 0 0 373.481 4.940 1 10 FJCFRN CN(C)c1ccc(-c2cc3cc([125I])ccc3[nH]2)cc1 ZINC000102083606 222289906 /nfs/dbraw/zinc/28/99/06/222289906.db2.gz SSEFXRFRRGQZCA-QZIRHQCUSA-N 0 0 360.215 4.506 1 10 FJCFRN