smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1ccc(OC(F)(F)F)cc1)c1cc(-c2ccncc2)ncn1 ZINC000064527413 214790830 /nfs/dbraw/zinc/79/08/30/214790830.db2.gz GXGOXRMMPIGEOG-UHFFFAOYSA-N 0 0 346.312 4.205 1 0 EIAFRN CC(C)(C)c1cc(NC(=O)Nc2cccc(N)c2)n(-c2ccccc2)n1 ZINC000013474646 201896811 /nfs/dbraw/zinc/89/68/11/201896811.db2.gz XTSFFHOZJOBYPO-UHFFFAOYSA-N 0 0 349.438 4.396 1 0 EIAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000013651802 201905789 /nfs/dbraw/zinc/90/57/89/201905789.db2.gz ZDXVLUHOOVYRHN-IIYMBUSYSA-N 0 0 342.479 4.410 1 0 EIAFRN CC(C)Oc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2 ZINC000013779448 201915972 /nfs/dbraw/zinc/91/59/72/201915972.db2.gz NBZBBVVAKCCMHN-UHFFFAOYSA-N 0 0 331.803 4.117 1 0 EIAFRN CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000014904355 201943182 /nfs/dbraw/zinc/94/31/82/201943182.db2.gz WGPZAVZHAGYUOL-ZBINAFDESA-N 0 0 331.500 4.055 1 0 EIAFRN CC(C)=CCc1ccc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1O)O2 ZINC000095486193 291005260 /nfs/dbraw/zinc/00/52/60/291005260.db2.gz QHQITHLCDFBNJP-SFHVURJKSA-N 0 0 340.375 4.019 1 0 biogenic,in-vitro EIAFRN CCCCCc1c(CCC(=O)C[C@H](O)CCC)ccc(O)c1OC ZINC000085597519 291006486 /nfs/dbraw/zinc/00/64/86/291006486.db2.gz INXSWTFQPWVYBO-MRXNPFEDSA-N 0 0 336.472 4.186 1 0 biogenic,in-vitro EIAFRN COc1ccc([C@@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c(O)c1 ZINC000014613167 291008456 /nfs/dbraw/zinc/00/84/56/291008456.db2.gz DRIPWQOGMJYOPU-HNNXBMFYSA-N 0 0 338.403 4.304 1 0 endogenous,in-man EIAFRN c1ccc(COC[C@]23N[C@H](Cc4ccccc42)c2ccccc23)cc1 ZINC000026012720 202137885 /nfs/dbraw/zinc/13/78/85/202137885.db2.gz YPQFFHHHVNALDI-PKTZIBPZSA-N 0 0 327.427 4.347 1 0 EIAFRN CCCCCC[NH2+]C[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@H]2CC[C@@H]1O2 ZINC000026499366 202144325 /nfs/dbraw/zinc/14/43/25/202144325.db2.gz ZDJZFDUXRZUEIT-UGYLWHJMSA-N 0 0 337.504 4.151 1 0 EIAFRN CC(C)(C)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 ZINC000026574040 202145460 /nfs/dbraw/zinc/14/54/60/202145460.db2.gz UAZGEOPGYIJTJW-KRWDZBQOSA-N 0 0 338.407 4.090 1 0 EIAFRN O=C(c1cn(Cc2c[nH]cn2)cc1-c1ccccc1)c1ccccc1 ZINC000026742210 202148029 /nfs/dbraw/zinc/14/80/29/202148029.db2.gz MMYHHNSSBQWAPJ-UHFFFAOYSA-N 0 0 327.387 4.158 1 0 EIAFRN CC(=O)N1CCC[C@H]2[C@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026952398 202150691 /nfs/dbraw/zinc/15/06/91/202150691.db2.gz WPMYIIBVFOXKEL-PPUJWOGTSA-N 0 0 347.543 4.381 1 0 EIAFRN C[C@@]12CC[C@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1OCC2=O ZINC000026988917 202151347 /nfs/dbraw/zinc/15/13/47/202151347.db2.gz COHCBZXNSQMOML-MXNKGDRCSA-N 0 0 340.463 4.422 1 0 EIAFRN COc1ccc(C=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 ZINC000027328783 202154313 /nfs/dbraw/zinc/15/43/13/202154313.db2.gz YOBBUGFYHIXIAD-UHFFFAOYSA-N 0 0 344.366 4.240 1 0 EIAFRN C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5oc(C=O)cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000027418847 202154925 /nfs/dbraw/zinc/15/49/25/202154925.db2.gz ZDXVLUHOOVYRHN-PRXWIKJSSA-N 0 0 342.479 4.410 1 0 EIAFRN C[S@@](=O)c1cc(C(F)(F)F)c2cc3c(cc2n1)NC(C)(C)CC3 ZINC000027415171 202155368 /nfs/dbraw/zinc/15/53/68/202155368.db2.gz QAVMJCZGFFCCRL-QHCPKHFHSA-N 0 0 342.386 4.128 1 0 EIAFRN O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ccncc1 ZINC000027625576 202159207 /nfs/dbraw/zinc/15/92/07/202159207.db2.gz YEAFOWNMNHUOMH-CQSZACIVSA-N 0 0 325.220 4.167 1 0 EIAFRN Cc1cnc(NC(=O)C2C(=O)c3ccccc3SC2(C)C)s1 ZINC000028094874 202165514 /nfs/dbraw/zinc/16/55/14/202165514.db2.gz DQXHGECHNZTYAI-UHFFFAOYSA-N 0 0 332.450 4.244 1 0 EIAFRN COc1cc(C=Cc2cc(C=Cc3ccc(O)cc3)[nH]n2)ccc1O ZINC000028128033 202166075 /nfs/dbraw/zinc/16/60/75/202166075.db2.gz BSYXTLLMKFYJQV-ZESFLVPWSA-N 0 0 334.375 4.170 1 0 EIAFRN COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)oc32)o1 ZINC000028713397 202175472 /nfs/dbraw/zinc/17/54/72/202175472.db2.gz ZNIZTYNSRPKMAJ-UHFFFAOYSA-N 0 0 336.347 4.033 1 0 EIAFRN COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(C)oc32)cc1 ZINC000028713398 202175605 /nfs/dbraw/zinc/17/56/05/202175605.db2.gz YQJKQNWCGTXXBU-UHFFFAOYSA-N 0 0 346.386 4.440 1 0 EIAFRN CCCCNc1nc2c(cc(C)cc2C)n1Cc1nc(C)ccc1O ZINC000028710377 202176030 /nfs/dbraw/zinc/17/60/30/202176030.db2.gz ZYGWFKKUZKNHFH-UHFFFAOYSA-N 0 0 338.455 4.322 1 0 EIAFRN CC(C)c1ccc(/C(=C\C[C@H]([NH3+])C(=O)[O-])c2ccccc2F)cc1 ZINC000028769770 202176678 /nfs/dbraw/zinc/17/66/78/202176678.db2.gz AATKXXQGCCDEFN-SKTWIKFTSA-N 0 0 327.399 4.183 1 0 EIAFRN COc1ccc(Sc2c(C)[nH]c3cc(S(C)(=O)=O)ccc32)cc1 ZINC000028382190 202169908 /nfs/dbraw/zinc/16/99/08/202169908.db2.gz VKZOHVGEVVBJLI-UHFFFAOYSA-N 0 0 347.461 4.040 1 0 EIAFRN CC/C=C/C[C@H]1C(=O)CC[C@H]1CC(=O)OCC(F)(F)C(F)(F)F ZINC000028371449 202170278 /nfs/dbraw/zinc/17/02/78/202170278.db2.gz XSANZUMGYVBQLE-MJKAUQOVSA-N 0 0 342.304 4.069 1 0 EIAFRN CC(=O)N1N=C(c2ccccc2Br)C[C@@H]1c1ccccc1 ZINC000028523707 202171811 /nfs/dbraw/zinc/17/18/11/202171811.db2.gz KRJJPYBZKWMWRE-QGZVFWFLSA-N 0 0 343.224 4.147 1 0 EIAFRN O=c1cc(-c2cccc(Br)c2)[nH]c2ccc3[nH]ccc3c12 ZINC000028570319 202172318 /nfs/dbraw/zinc/17/23/18/202172318.db2.gz CLAABRHZHDSRBX-UHFFFAOYSA-N 0 0 339.192 4.439 1 0 EIAFRN COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1 ZINC000028527849 202172875 /nfs/dbraw/zinc/17/28/75/202172875.db2.gz OBWOLKQSIBBZJU-UHFFFAOYSA-N 0 0 347.418 4.125 1 0 EIAFRN O=C(Nc1ccccc1)N1CCC(c2ncc[nH]2)(c2ccccc2)CC1 ZINC000028566249 202172903 /nfs/dbraw/zinc/17/29/03/202172903.db2.gz VTJBQJWBRDVWQF-UHFFFAOYSA-N 0 0 346.434 4.024 1 0 EIAFRN CC(=O)N1N=C(c2ccccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000028525079 202173052 /nfs/dbraw/zinc/17/30/52/202173052.db2.gz XIBPJUDCIWKEBQ-KRWDZBQOSA-N 0 0 332.325 4.403 1 0 EIAFRN OCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1O ZINC000028564067 202173240 /nfs/dbraw/zinc/17/32/40/202173240.db2.gz XSPXTJQCESOGST-UHFFFAOYSA-N 0 0 343.386 4.004 1 0 EIAFRN COc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 ZINC000028645040 202174644 /nfs/dbraw/zinc/17/46/44/202174644.db2.gz AXPSYSNPKBQUGG-GDBMZVCRSA-N 0 0 338.451 4.087 1 0 EIAFRN CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CC[C@H](OC)C(C)(C)OC ZINC000029312765 202184783 /nfs/dbraw/zinc/18/47/83/202184783.db2.gz XTUMFTHYMVBWBB-SULJIWNDSA-N 0 0 326.477 4.298 1 0 EIAFRN CNC(=O)CCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(O)c1 ZINC000028822107 202177611 /nfs/dbraw/zinc/17/76/11/202177611.db2.gz KOOWOHRTUITIEC-UHFFFAOYSA-N 0 0 325.452 4.480 1 0 EIAFRN ClC1=C[C@@H](CCC=C(Br)Br)OCC1 ZINC000028821708 202177885 /nfs/dbraw/zinc/17/78/85/202177885.db2.gz ONSYGOWQDJPBGX-MRVPVSSYSA-N 0 0 330.447 4.309 1 0 EIAFRN C[C@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O ZINC000029204551 202182893 /nfs/dbraw/zinc/18/28/93/202182893.db2.gz UZQLDBWLAOCBOO-SODKBZIWSA-N 0 0 345.748 4.421 1 0 EIAFRN CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3cscc32)CC1 ZINC000029342112 202185256 /nfs/dbraw/zinc/18/52/56/202185256.db2.gz GQPZDRAJLVVZDL-UHFFFAOYSA-N 0 0 347.871 4.223 1 0 EIAFRN CS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1Cl ZINC000029392325 202185965 /nfs/dbraw/zinc/18/59/65/202185965.db2.gz PDFZJRGNDMKUMR-UHFFFAOYSA-N 0 0 349.814 4.340 1 0 EIAFRN Cc1ncccc1Oc1ccc(NC(=O)N2CCc3ccccc32)cn1 ZINC000029551528 202189147 /nfs/dbraw/zinc/18/91/47/202189147.db2.gz BKNJMUFKPUHRFM-UHFFFAOYSA-N 0 0 346.390 4.172 1 0 EIAFRN CCC(=O)C(Cc1ccc(Cc2ccc(OC)cc2)cc1)C(=O)CC ZINC000033494088 202263025 /nfs/dbraw/zinc/26/30/25/202263025.db2.gz ZXLIDANFIWPPGZ-UHFFFAOYSA-N 0 0 338.447 4.403 1 0 EIAFRN CC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2)cc1 ZINC000034470215 202273486 /nfs/dbraw/zinc/27/34/86/202273486.db2.gz NCVBYYDVAKFQGW-UHFFFAOYSA-N 0 0 347.374 4.085 1 0 EIAFRN c1cc(-c2ccc3ncnc(NCc4ccc5c(c4)OCO5)c3c2)co1 ZINC000036380620 202324365 /nfs/dbraw/zinc/32/43/65/202324365.db2.gz NSNDFDGDMWBHFR-UHFFFAOYSA-N 0 0 345.358 4.231 3 0 EIAFRN CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)c1ccccc1NC2=O ZINC000036382053 202324384 /nfs/dbraw/zinc/32/43/84/202324384.db2.gz BXNOABVERIFQPY-LAUBAEHRSA-N 0 0 335.403 4.038 1 0 EIAFRN O=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ncc[nH]1 ZINC000040567167 202453887 /nfs/dbraw/zinc/45/38/87/202453887.db2.gz MIADBIXLSPRVBB-UHFFFAOYSA-N 0 0 335.794 4.297 1 0 EIAFRN COc1cccc2cc(CSc3nc4ccccc4o3)c(=O)oc21 ZINC000040423882 202438783 /nfs/dbraw/zinc/43/87/83/202438783.db2.gz QFHDLFZIJGAMLQ-UHFFFAOYSA-N 0 0 339.372 4.235 1 0 EIAFRN COc1cc(OC)cc(C(=O)c2csc(-c3ccccc3)n2)c1 ZINC000040915275 202468150 /nfs/dbraw/zinc/46/81/50/202468150.db2.gz KMLBRQRREBMUKN-UHFFFAOYSA-N 0 0 325.389 4.058 1 0 EIAFRN Cc1cc(O)c(C=O)c(C)c1CC[C@]1(C)C=Cc2cc(O)ccc2O1 ZINC000005842270 201056698 /nfs/dbraw/zinc/05/66/98/201056698.db2.gz HXHCCUWOGMBIRD-NRFANRHFSA-N 0 0 338.403 4.324 1 0 EIAFRN COc1ccc([C@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c(O)c1 ZINC000005158964 201362315 /nfs/dbraw/zinc/36/23/15/201362315.db2.gz CFIGHBKJMKQTBW-OAHLLOKOSA-N 0 0 340.419 4.334 1 0 EIAFRN CCc1cc(NCc2nc3cc4ccccc4cc3o2)c(=O)[nH]c1C ZINC000005887400 201362358 /nfs/dbraw/zinc/36/23/58/201362358.db2.gz YRBDIKOYTPKETQ-UHFFFAOYSA-N 0 0 333.391 4.152 1 0 EIAFRN C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000001564822 201359476 /nfs/dbraw/zinc/35/94/76/201359476.db2.gz QEFJURUMSHPMTC-KBPBESRZSA-N 0 0 326.392 4.201 1 0 EIAFRN c1c(-c2ccccc2)nc2sc(Cc3noc4ccccc43)nn12 ZINC000043024748 202506279 /nfs/dbraw/zinc/50/62/79/202506279.db2.gz FGIXPVLGYCJVCU-UHFFFAOYSA-N 0 0 332.388 4.190 1 0 EIAFRN Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccccc3)O2)cc1 ZINC000028768170 201387584 /nfs/dbraw/zinc/38/75/84/201387584.db2.gz CNTTWQOWWZEXEQ-MOPGFXCFSA-N 0 0 340.810 4.178 1 0 EIAFRN O=C(c1cccnc1)n1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040404385 202618260 /nfs/dbraw/zinc/61/82/60/202618260.db2.gz UTZXCWWPAROZQP-UHFFFAOYSA-N 0 0 333.778 4.440 1 0 EIAFRN CCC1=NN=C(c2ccc(F)cc2)[C@H](c2c[nH]c3ccccc32)N1O ZINC000004452521 201601846 /nfs/dbraw/zinc/60/18/46/201601846.db2.gz SMBIJQQMJJTRIH-IBGZPJMESA-N 0 0 336.370 4.266 3 0 EIAFRN C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)C1 ZINC000005034966 201634539 /nfs/dbraw/zinc/63/45/39/201634539.db2.gz LIEPNLLABKGRMO-STQMWFEESA-N 0 0 342.870 4.495 1 0 EIAFRN COC(=O)[C@H](C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 ZINC000071296785 203090693 /nfs/dbraw/zinc/09/06/93/203090693.db2.gz ILLCEQLCOSHXQR-DNVCBOLYSA-N 0 0 335.407 4.025 1 0 EIAFRN Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(F)cc3)oc2n1 ZINC000071295225 203091279 /nfs/dbraw/zinc/09/12/79/203091279.db2.gz LPLSBZHUNYOLMU-UHFFFAOYSA-N 0 0 338.260 4.107 1 0 EIAFRN O=C1CCc2cc(-c3cncc(-c4ccc(F)cc4)c3)cc3c2N1CC3 ZINC000071330323 203092735 /nfs/dbraw/zinc/09/27/35/203092735.db2.gz FUHOYNNMQXBLPO-UHFFFAOYSA-N 0 0 344.389 4.390 1 0 EIAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1coc2ccccc2c1=O ZINC000072112381 203162727 /nfs/dbraw/zinc/16/27/27/203162727.db2.gz ICZSVZVJXCLBRZ-UHFFFAOYSA-N 0 0 333.265 4.064 1 0 EIAFRN O=C1OCC(Nc2cc(Cl)cc(Cl)c2)=C1c1ccc(O)cc1 ZINC000072118456 203163373 /nfs/dbraw/zinc/16/33/73/203163373.db2.gz NNOZMQDXMZLPIB-UHFFFAOYSA-N 0 0 336.174 4.079 1 0 EIAFRN COC(=O)C/C=C/[C@H](C)[C@H](OC)c1cc(F)ccc1Br ZINC000072120047 203163507 /nfs/dbraw/zinc/16/35/07/203163507.db2.gz RPBLHNKNTOKICO-NGJZLQKBSA-N 0 0 345.208 4.031 1 0 EIAFRN O=c1c2ccccc2nc(/C=C/c2ccccn2)n1Cc1ccccc1 ZINC000072136098 203168087 /nfs/dbraw/zinc/16/80/87/203168087.db2.gz WADLBJWPTSIMDA-BUHFOSPRSA-N 0 0 339.398 4.010 1 0 EIAFRN CCCCCNC(=O)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000072136549 203168290 /nfs/dbraw/zinc/16/82/90/203168290.db2.gz LBKKZZHJPSRREP-UHFFFAOYSA-N 0 0 325.334 4.016 3 0 EIAFRN COc1cccc(CNc2cc3c(cn2)[nH]c2ccccc23)c1OC ZINC000072176876 203181841 /nfs/dbraw/zinc/18/18/41/203181841.db2.gz MQIDSKWRKZYQBU-UHFFFAOYSA-N 0 0 333.391 4.345 1 0 EIAFRN O=C(OCN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000072178805 203182736 /nfs/dbraw/zinc/18/27/36/203182736.db2.gz NOLKFMFGKDMAAQ-UHFFFAOYSA-N 0 0 331.371 4.148 1 0 EIAFRN Cc1cccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)c1 ZINC000072182725 203182932 /nfs/dbraw/zinc/18/29/32/203182932.db2.gz XDLDPKMWELHUTR-UHFFFAOYSA-N 0 0 330.391 4.144 1 0 EIAFRN COc1c(CN(C(C)=O)c2ccccc2)ccc2c1OC(C)(C)C=C2 ZINC000072184200 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/nfs/dbraw/zinc/17/57/50/202175750.db2.gz DKAOMRCHWZCVNF-LLVKDONJSA-N 0 0 331.249 4.229 1 0 EIAFRN O[C@@](c1ccccc1)(c1cncnc1)c1ccc(Cl)c(Cl)c1 ZINC000028769609 202176800 /nfs/dbraw/zinc/17/68/00/202176800.db2.gz NIHUFSCGSUFGST-QGZVFWFLSA-N 0 0 331.202 4.068 1 0 EIAFRN O=c1cc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3)cc2)[nH]1 ZINC000028348424 202170264 /nfs/dbraw/zinc/17/02/64/202170264.db2.gz QAQWDOPADPUECP-UHFFFAOYSA-N 0 0 345.324 4.068 1 0 EIAFRN CC(C)(CO)CCCCOCCCC[C@@](C)(CO)c1ccccc1 ZINC000028458167 202171160 /nfs/dbraw/zinc/17/11/60/202171160.db2.gz WXYNGPNRDVNQNQ-NRFANRHFSA-N 0 0 336.516 4.312 1 0 EIAFRN O=c1cc(-c2ccccc2Cl)oc2c(N3CCCC3)ccc(O)c12 ZINC000028639859 202174213 /nfs/dbraw/zinc/17/42/13/202174213.db2.gz RBPZJBNYCBTWSZ-UHFFFAOYSA-N 0 0 341.794 4.419 1 0 EIAFRN Cc1nc2cc(N3C(=O)CS[C@@H]3c3c[nH]c4ccccc43)ccc2[nH]1 ZINC000028652022 202174253 /nfs/dbraw/zinc/17/42/53/202174253.db2.gz LPWPNHIFDAWDEW-LJQANCHMSA-N 0 0 348.431 4.131 1 0 EIAFRN Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3C(C)C 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4.115 1 0 EIAFRN Oc1cccc(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1 ZINC000040401636 213298384 /nfs/dbraw/zinc/29/83/84/213298384.db2.gz LYFVGQPLRDLNCA-UHFFFAOYSA-N 0 0 332.285 4.007 1 0 EIAFRN C[C@@H]1CCC[C@@]2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1 ZINC000040379510 213294651 /nfs/dbraw/zinc/29/46/51/213294651.db2.gz KMPYMLCZTFQZON-HWPZZCPQSA-N 0 0 341.238 4.276 1 0 EIAFRN O=S1(=O)c2ccccc2[C@@H](Nc2ccccc2)N1c1ccccc1 ZINC000001645626 209773612 /nfs/dbraw/zinc/77/36/12/209773612.db2.gz VXCHCAXOIAGERL-IBGZPJMESA-N 0 0 336.416 4.006 1 0 EIAFRN CCCCC/C=C\C=C/CCCCCCCC(=O)OC[C@H](O)CO ZINC000033832847 291005896 /nfs/dbraw/zinc/00/58/96/291005896.db2.gz USPSDZQQNLMVMK-UBMDLNMFSA-N 0 0 340.504 4.306 1 0 biogenic,in-vitro EIAFRN COCc1c2occc2c(COCC=C(C)C)c2ccc(=O)oc12 ZINC000059586899 291007159 /nfs/dbraw/zinc/00/71/59/291007159.db2.gz YBUHBSKALIMQTG-UHFFFAOYSA-N 0 0 328.364 4.168 1 0 biogenic,in-vitro EIAFRN COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1 ZINC000015257347 291008474 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4.100 1 0 EIAFRN CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC(=O)[C@@H]21 ZINC000040393118 213297020 /nfs/dbraw/zinc/29/70/20/213297020.db2.gz MWAUZLNCUAEKNR-CUBALJKWSA-N 0 0 340.897 4.313 1 0 EIAFRN CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CCCC(C)(C)[C@H]1C2 ZINC000040403750 213298684 /nfs/dbraw/zinc/29/86/84/213298684.db2.gz TXBJAQRFHBPTNC-FOIQADDNSA-N 0 0 332.440 4.456 1 0 EIAFRN CC(=O)O[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(C)O)CC[C@H]12 ZINC000523042174 291005282 /nfs/dbraw/zinc/00/52/82/291005282.db2.gz MQXZRJIHBYXBLW-QUEWWNOUSA-N 0 0 334.500 4.466 1 0 biogenic EIAFRN COc1cc(/C=C\C(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O ZINC000095909844 291007991 /nfs/dbraw/zinc/00/79/91/291007991.db2.gz PKAIECBWQZFYRP-AVBVSBRKSA-N 0 0 330.424 4.172 1 0 biogenic,in-vitro EIAFRN O=C1c2ccccc2N(CN(c2ccccc2)c2ccccc2)C1=O ZINC000039189471 213231101 /nfs/dbraw/zinc/23/11/01/213231101.db2.gz AUPCXEBKODCJAS-UHFFFAOYSA-N 0 0 328.371 4.012 1 0 EIAFRN CCc1nn(CCO)c(CC)c1Sc1cc(Cl)cc(Cl)c1 ZINC000038442590 213208723 /nfs/dbraw/zinc/20/87/23/213208723.db2.gz KHIJLCJUPFRPOM-UHFFFAOYSA-N 0 0 345.295 4.458 1 0 EIAFRN CO[C@H]1NC(=O)c2c1c1c(cc2-c2ccccc2)[nH]c2ccc(O)cc21 ZINC000036472405 213099998 /nfs/dbraw/zinc/09/99/98/213099998.db2.gz ZXHHIGDWYZPLHE-OAQYLSRUSA-N 0 0 344.370 4.082 1 0 EIAFRN COC(=O)c1c2cc(OC)ccc2sc1-c1ccccc1OC ZINC000036388666 213093049 /nfs/dbraw/zinc/09/30/49/213093049.db2.gz LUZFEQOQOWFUMR-UHFFFAOYSA-N 0 0 328.389 4.372 3 0 EIAFRN COc1cc(-c2nnc(Nc3ccc(Cl)cc3)s2)ccc1O ZINC000071329679 215762693 /nfs/dbraw/zinc/76/26/93/215762693.db2.gz CDWNDXBGAJJHHI-UHFFFAOYSA-N 0 0 333.800 4.316 1 0 EIAFRN CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1CCCCC1 ZINC000035091026 213008122 /nfs/dbraw/zinc/00/81/22/213008122.db2.gz FYJWORFPPXRLHE-UHFFFAOYSA-N 0 0 339.487 4.423 1 0 EIAFRN N=C1N[C@@](c2ccccc2)(C2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000034948992 213002418 /nfs/dbraw/zinc/00/24/18/213002418.db2.gz AZYGPVIFZHZTAH-QFIPXVFZSA-N 0 0 347.462 4.029 1 0 EIAFRN COc1ccc([C@H]2c3cc4c(cc3C[C@@H](C)[C@@H]2C)OCO4)cc1OC ZINC000034582368 212979226 /nfs/dbraw/zinc/97/92/26/212979226.db2.gz KLVQONDOFFKFBN-BHVCSQLQSA-N 0 0 340.419 4.393 1 0 biogenic,in-vitro EIAFRN Cc1cn(-c2csc(Nc3cccc(Br)c3)n2)c(C)n1 ZINC000035049911 213004861 /nfs/dbraw/zinc/00/48/61/213004861.db2.gz VWJAXDNGOWZVPM-UHFFFAOYSA-N 0 0 349.257 4.452 1 0 EIAFRN COc1cc(C(=O)c2cc3ccc(Cl)cc3[nH]2)cc(OC)c1OC ZINC000072107792 216009289 /nfs/dbraw/zinc/00/92/89/216009289.db2.gz CLZOIPGJZJAVIH-UHFFFAOYSA-N 0 0 345.782 4.078 1 0 EIAFRN CO[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CC[C@]1(C)O ZINC000072113239 216011304 /nfs/dbraw/zinc/01/13/04/216011304.db2.gz UPAIMEGFTSSJTL-NIPFVUDUSA-N 0 0 348.483 4.241 1 0 EIAFRN Cc1ccc(C2=Nn3c(CCC4CCCCC4)nnc3SC2)cc1 ZINC000072128590 216018691 /nfs/dbraw/zinc/01/86/91/216018691.db2.gz GXOHXQVIVZNRPK-UHFFFAOYSA-N 0 0 340.496 4.458 1 0 EIAFRN O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cc(F)ccc1F ZINC000072184462 216066860 /nfs/dbraw/zinc/06/68/60/216066860.db2.gz NFDQUPNZDLRYFK-GOSISDBHSA-N 0 0 331.749 4.297 1 0 EIAFRN Cc1cn(Cc2coc(-c3ccc(O)cc3)n2)c(-c2ccccc2)n1 ZINC000072182940 216067762 /nfs/dbraw/zinc/06/77/62/216067762.db2.gz RXDVKNUFGOHITE-UHFFFAOYSA-N 0 0 331.375 4.267 1 0 EIAFRN O[C@](c1ccc(Cl)cc1)(c1ccncn1)c1ccccc1Cl ZINC000072186127 216067774 /nfs/dbraw/zinc/06/77/74/216067774.db2.gz CFTMABGAAUAWHV-KRWDZBQOSA-N 0 0 331.202 4.068 1 0 EIAFRN COc1ccc(-c2cn(Cc3ccccc3)c3ccc(=O)[nH]c23)cc1 ZINC000029327278 212662911 /nfs/dbraw/zinc/66/29/11/212662911.db2.gz QAPBDYFXUYUUEI-UHFFFAOYSA-N 0 0 330.387 4.054 1 0 EIAFRN CCCCn1cc(C(=O)Nc2ccc(C(C)=O)cc2)c2cccnc21 ZINC000072323481 216149565 /nfs/dbraw/zinc/14/95/65/216149565.db2.gz TYJQUYQHPWWCHY-UHFFFAOYSA-N 0 0 335.407 4.291 2 0 EIAFRN CC(C)(C)n1cc(C(=O)NCc2ccccc2Cl)c2cccnc21 ZINC000072323143 216150087 /nfs/dbraw/zinc/15/00/87/216150087.db2.gz ACBUDQMULHULKL-UHFFFAOYSA-N 0 0 341.842 4.375 2 0 EIAFRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3ccc(=O)[nH]c3c2)cc1 ZINC000028863737 212641219 /nfs/dbraw/zinc/64/12/19/212641219.db2.gz LWDJARFJPYGSQO-WUXMJOGZSA-N 0 0 346.430 4.478 1 0 EIAFRN C[C@H]1CC[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816452 212636717 /nfs/dbraw/zinc/63/67/17/212636717.db2.gz YXBCRJFFPSUINZ-XEZPLFJOSA-N 0 0 327.877 4.072 1 0 EIAFRN CCCCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O ZINC000027557769 212564456 /nfs/dbraw/zinc/56/44/56/212564456.db2.gz JFGWMAWFJDEKOI-IBGZPJMESA-N 0 0 342.826 4.272 1 0 EIAFRN CCOC(=O)c1cc(C(C)(C)C)[nH]c1NC(=O)Nc1ccc(C)cc1 ZINC000026664705 212529974 /nfs/dbraw/zinc/52/99/74/212529974.db2.gz MZIMPCQXBPYKIB-UHFFFAOYSA-N 0 0 343.427 4.441 1 0 EIAFRN CCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC ZINC000073166957 216359934 /nfs/dbraw/zinc/35/99/34/216359934.db2.gz BNILZSJXXDACBM-UHFFFAOYSA-N 0 0 341.194 4.048 1 0 EIAFRN CC(=O)Nc1ccc(-c2nc3c(cc4cccnc4c3Cl)[nH]2)cc1 ZINC000073224643 216366920 /nfs/dbraw/zinc/36/69/20/216366920.db2.gz NJJCRUXRCIORPF-UHFFFAOYSA-N 0 0 336.782 4.390 1 0 EIAFRN C[C@@](O)(CSc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000073294815 216373634 /nfs/dbraw/zinc/37/36/34/216373634.db2.gz GXQNTKSIOGHUIP-QGZVFWFLSA-N 0 0 346.839 4.390 1 0 EIAFRN C[C@](O)(CSc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1 ZINC000073314410 216376348 /nfs/dbraw/zinc/37/63/48/216376348.db2.gz PNMNQMOHZGYGRA-KRWDZBQOSA-N 0 0 346.839 4.390 1 0 EIAFRN CCc1cc2cc(C(=O)[C@H]3COc4ccccc4O3)ccc2nc1C ZINC000013613069 211593065 /nfs/dbraw/zinc/59/30/65/211593065.db2.gz DNGNUEBUEKGOGM-HXUWFJFHSA-N 0 0 333.387 4.128 1 0 EIAFRN COc1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1OC ZINC000095583400 218440848 /nfs/dbraw/zinc/44/08/48/218440848.db2.gz WHOAWQFWGLWGGT-OAHLLOKOSA-N 0 0 331.799 4.093 1 0 EIAFRN CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3ccc(F)cc3)[C@@H]2CC1 ZINC000096939114 218903399 /nfs/dbraw/zinc/90/33/99/218903399.db2.gz NSGTWOTUVZPSAM-MGTCYMKMSA-N 0 0 342.410 4.022 1 0 EIAFRN Cc1cc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)no1 ZINC000005048073 210374441 /nfs/dbraw/zinc/37/44/41/210374441.db2.gz QXTFYOHAHXDVTF-UHFFFAOYSA-N 0 0 326.377 4.165 1 0 EIAFRN Cc1ccc2c(c1)N(C)C1=C(C(=O)OC1)[C@@]2(C)c1ccc(Cl)cc1 ZINC000040402166 132399926 /nfs/dbraw/zinc/39/99/26/132399926.db2.gz CHGFOCOTNHJTQG-FQEVSTJZSA-N 0 0 339.822 4.215 1 0 EIAFRN COc1ccc(NC(=O)[C@@H]2CCc3ccc4ccccc4c3O2)cc1 ZINC000169348128 534154059 /nfs/dbraw/zinc/15/40/59/534154059.db2.gz SQNIOGKOPOHHEE-IBGZPJMESA-N 0 0 333.387 4.181 1 0 EIAFRN CC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000000387267 535115267 /nfs/dbraw/zinc/11/52/67/535115267.db2.gz UXBMYXQWZYXXCV-UHFFFAOYSA-N 0 0 349.887 4.134 3 0 EIAFRN Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnc2)s1 ZINC000014952139 581092846 /nfs/dbraw/zinc/09/28/46/581092846.db2.gz WCBCZRZYPOPLAQ-UHFFFAOYSA-N 0 0 344.827 4.496 1 0 EIAFRN CSc1nnc(-c2nc(C(C)(C)C)c(O)c(C(C)(C)C)n2)s1 ZINC000000005522 581099630 /nfs/dbraw/zinc/09/96/30/581099630.db2.gz UHAUUAGUJDZJLR-UHFFFAOYSA-N 0 0 338.502 4.018 1 0 EIAFRN O=C(Nc1ccccc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1 ZINC000053299064 214174660 /nfs/dbraw/zinc/17/46/60/214174660.db2.gz BFAFTEXTXVWPSX-BOPFTXTBSA-N 0 0 344.374 4.151 1 0 EIAFRN Cc1ncc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)n1C(C)C ZINC000053287932 214175619 /nfs/dbraw/zinc/17/56/19/214175619.db2.gz WMEWCRUOYDVJLT-UHFFFAOYSA-N 0 0 336.443 4.039 1 0 EIAFRN O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1 ZINC000053224702 214170768 /nfs/dbraw/zinc/17/07/68/214170768.db2.gz SAJVKPXYRVNAFJ-UHFFFAOYSA-N 0 0 347.821 4.176 3 0 EIAFRN COc1ccc(-c2nnc(-c3c[nH]c4ccccc43)s2)cc1OC ZINC000064426605 214784669 /nfs/dbraw/zinc/78/46/69/214784669.db2.gz SJBFLIPYEDYMPR-UHFFFAOYSA-N 0 0 337.404 4.371 1 0 EIAFRN Nc1cc(F)ccc1Nc1ccc2c(c1)Cc1ccccc1CC2=O ZINC000049114076 213988994 /nfs/dbraw/zinc/98/89/94/213988994.db2.gz ATQKVKPCFMBSJH-UHFFFAOYSA-N 0 0 332.378 4.481 1 0 EIAFRN O=C(Cc1c[nH]c2ccccc12)Nc1cc2c3ccccc3nc-2c[nH]1 ZINC000101243559 219119594 /nfs/dbraw/zinc/11/95/94/219119594.db2.gz DXAKISVFEXBSCX-UHFFFAOYSA-N 0 0 340.386 4.330 1 0 EIAFRN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc2ccccc21 ZINC000004268570 210157451 /nfs/dbraw/zinc/15/74/51/210157451.db2.gz JGVBLUSUDAECPE-UHFFFAOYSA-N 0 0 328.371 4.451 1 0 EIAFRN COc1cccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)c1 ZINC000004258342 210154539 /nfs/dbraw/zinc/15/45/39/210154539.db2.gz LFOQBXJAFVJUTK-UHFFFAOYSA-N 0 0 342.402 4.313 3 0 EIAFRN CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 ZINC000169322260 530040230 /nfs/dbraw/zinc/04/02/30/530040230.db2.gz YFWPHJWDVIVLDC-SKQVIJGQSA-N 0 0 343.511 4.175 1 0 EIAFRN COc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn21 ZINC000066066422 215005412 /nfs/dbraw/zinc/00/54/12/215005412.db2.gz APNSZRZOHZSHII-UHFFFAOYSA-N 0 0 337.404 4.183 1 0 EIAFRN Clc1cccc(CO[C@H]2CCc3ccccc3[C@@H]2n2ccnn2)c1 ZINC000066073842 215006917 /nfs/dbraw/zinc/00/69/17/215006917.db2.gz HOPAEXGXDXUDED-OALUTQOASA-N 0 0 339.826 4.053 1 0 EIAFRN Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c(F)c1 ZINC000003948885 210094428 /nfs/dbraw/zinc/09/44/28/210094428.db2.gz UPOFEOMEMGQTJA-UHFFFAOYSA-N 0 0 338.317 4.207 1 0 EIAFRN CC[C@H](C)C(SC[C@H]([NH3+])C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000066122892 215013980 /nfs/dbraw/zinc/01/39/80/215013980.db2.gz AEXWHNCQYTYTMP-YJBOKZPZSA-N 0 0 343.492 4.121 1 0 EIAFRN COc1ccc(Cn2c(=O)ccc3ccc(-c4ccncc4)cc32)cc1 ZINC000043063330 213555532 /nfs/dbraw/zinc/55/55/32/213555532.db2.gz LEENTPFOLDUXDH-UHFFFAOYSA-N 0 0 342.398 4.120 1 0 EIAFRN CC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103179497 219266493 /nfs/dbraw/zinc/26/64/93/219266493.db2.gz UECCMHQWKSPAAL-QMMMGPOBSA-N 0 0 331.363 4.266 1 0 EIAFRN Cc1nc(Oc2ccc(Cl)cc2)nc(C(Cl)(Cl)Cl)n1 ZINC000103185998 219267484 /nfs/dbraw/zinc/26/74/84/219267484.db2.gz VKMCAYUEXMHQHT-UHFFFAOYSA-N 0 0 339.009 4.452 1 0 EIAFRN CC[C@@]1(C(=O)NCCc2cccc(Cl)c2)[C@H](C)C1(Cl)Cl ZINC000103272513 219280415 /nfs/dbraw/zinc/28/04/15/219280415.db2.gz MZXCPEUWSOWNLM-HZMBPMFUSA-N 0 0 334.674 4.219 1 0 EIAFRN CC(=O)N(C(C)=O)c1cccnc1SC12CC3CC(CC(C3)C1)C2 ZINC000103266079 219279125 /nfs/dbraw/zinc/27/91/25/219279125.db2.gz HJPUSWLSCIPSGT-UHFFFAOYSA-N 0 0 344.480 4.042 1 0 EIAFRN CC[C@H]1O[C@@H]2c3ccccc3CO[C@@H]2[C@H]1OCc1ccc(F)cc1 ZINC000103282117 219282105 /nfs/dbraw/zinc/28/21/05/219282105.db2.gz WQOTWVCIJFPFHY-ZRNYENFQSA-N 0 0 328.383 4.160 1 0 EIAFRN CCC(=O)N1[C@@H](c2ccco2)[C@H](C(C)C)C(=O)C[C@H]1c1ccco1 ZINC000103280406 219282351 /nfs/dbraw/zinc/28/23/51/219282351.db2.gz TWQXBWZOUPOFDV-BKTGTZMESA-N 0 0 329.396 4.139 1 0 EIAFRN CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc21 ZINC000103287387 219283318 /nfs/dbraw/zinc/28/33/18/219283318.db2.gz LCWHOXGVDBIAJN-UHFFFAOYSA-N 0 0 333.848 4.330 1 0 EIAFRN O=C(c1ccccc1)c1ccc(NC(=S)c2ccc(O)cc2O)cc1 ZINC000103294914 219285093 /nfs/dbraw/zinc/28/50/93/219285093.db2.gz SUMMIBQQYYTMID-UHFFFAOYSA-N 0 0 349.411 4.116 1 0 EIAFRN CC[C@@]1(C(=O)NCCc2csc(Cl)c2)[C@H](C)C1(Cl)Cl ZINC000103296626 219286278 /nfs/dbraw/zinc/28/62/78/219286278.db2.gz NWCZRMFAJBBUKH-UFBFGSQYSA-N 0 0 340.703 4.280 1 0 EIAFRN COc1ccc(/C(F)=C/c2cc(OC)c(OC)c(OC)c2)cc1F ZINC000040879434 213396933 /nfs/dbraw/zinc/39/69/33/213396933.db2.gz XFDWJFPRZRHWPS-QPEQYQDCSA-N 0 0 336.334 4.328 1 0 EIAFRN C[C@@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@@H]3[C@@H]1OCC2=O ZINC000040698223 213370097 /nfs/dbraw/zinc/37/00/97/213370097.db2.gz COHCBZXNSQMOML-WAGURGNTSA-N 0 0 340.463 4.422 1 0 EIAFRN NC(=O)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)oc2c1 ZINC000040556617 213351110 /nfs/dbraw/zinc/35/11/10/213351110.db2.gz AEWSQSIRJGFZGQ-UHFFFAOYSA-N 0 0 330.343 4.386 1 0 EIAFRN Cc1ccnc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)c1 ZINC000040394555 213297570 /nfs/dbraw/zinc/29/75/70/213297570.db2.gz RPVZWLQAIDOJKO-JCFBCRGFSA-N 0 0 342.508 4.402 1 0 EIAFRN C[C@H]1CN(C(=S)NCc2ccccc2Cl)N=C1c1ccccc1 ZINC000040393228 213297180 /nfs/dbraw/zinc/29/71/80/213297180.db2.gz LYAPLKXTQDRNTM-ZDUSSCGKSA-N 0 0 343.883 4.071 1 0 EIAFRN CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CCCC(C)(C)[C@@H]1C2 ZINC000040403747 213299087 /nfs/dbraw/zinc/29/90/87/213299087.db2.gz TXBJAQRFHBPTNC-YWZLYKJASA-N 0 0 332.440 4.456 1 0 EIAFRN CC(C)C(=O)c1c(O)cc(O)c2c1O[C@@]1(C)CCCC(C)(C)[C@H]1C2 ZINC000040403753 213298564 /nfs/dbraw/zinc/29/85/64/213298564.db2.gz TXBJAQRFHBPTNC-QRWLVFNGSA-N 0 0 332.440 4.456 1 0 EIAFRN CO[C@@H]1CC(=O)[C@@H]2[C@@]1(O)[C@@]1(C)CC[C@@]23CC[C@H]2CCCC[C@H]2[C@]13C ZINC000103575494 291007130 /nfs/dbraw/zinc/00/71/30/291007130.db2.gz OJVFKZLWBVUBSM-SNZCJMSHSA-N 0 0 332.484 4.211 1 0 biogenic,in-vitro EIAFRN C(=C/c1ccccc1)\Cn1nc(-c2ccccc2)nc1-c1cnccn1 ZINC000001635123 209771160 /nfs/dbraw/zinc/77/11/60/209771160.db2.gz HZHZUUIYLXEPAL-JXMROGBWSA-N 0 0 339.402 4.116 1 0 EIAFRN CCO[C@H](/C=C/c1ccccc1)C[C@@H](O)CCc1ccc(O)cc1 ZINC000014504364 291006485 /nfs/dbraw/zinc/00/64/85/291006485.db2.gz IADMDBFYOJAYAV-QZPPMBFNSA-N 0 0 326.436 4.194 1 0 biogenic,in-vitro EIAFRN COc1cc2ccc1Oc1cc(ccc1O)CC[C@@H](O)CCCC2 ZINC000015251164 291008451 /nfs/dbraw/zinc/00/84/51/291008451.db2.gz SKQFVMGWNXOEPV-INIZCTEOSA-N 0 0 328.408 4.213 1 0 biogenic,in-vitro EIAFRN CC[C@@H](Nc1ccc(-c2nc(CC(C)C)no2)cn1)c1ccncc1 ZINC000039399631 213235672 /nfs/dbraw/zinc/23/56/72/213235672.db2.gz VKYXWXYRTJADDP-MRXNPFEDSA-N 0 0 337.427 4.288 1 0 EIAFRN c1cc(Nc2ccc3c(c2)OCO3)nc(Nc2ccc3c(c2)CCC3)n1 ZINC000038792059 213226993 /nfs/dbraw/zinc/22/69/93/213226993.db2.gz NDVVAGOIKGKXGG-UHFFFAOYSA-N 0 0 346.390 4.181 1 0 EIAFRN Cc1cc(Cl)cnc1-c1noc(-c2occc2Br)n1 ZINC000038694541 213220122 /nfs/dbraw/zinc/22/01/22/213220122.db2.gz HVILSVUSDUMQLT-UHFFFAOYSA-N 0 0 340.564 4.116 1 0 EIAFRN C[C@@H]1C=CCCO[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036381884 213092812 /nfs/dbraw/zinc/09/28/12/213092812.db2.gz OMRBJTSGXXMHGP-QVKFZJNVSA-N 0 0 337.394 4.180 3 0 EIAFRN O=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000035281248 213016402 /nfs/dbraw/zinc/01/64/02/213016402.db2.gz RFDLOFIETSWQLZ-KRWDZBQOSA-N 0 0 339.439 4.023 1 0 EIAFRN CC(C)C(=O)c1cn(-c2ccc(C(N)=O)cc2Cl)c2ccccc12 ZINC000034985185 213004201 /nfs/dbraw/zinc/00/42/01/213004201.db2.gz STAYDSJBVSQREY-UHFFFAOYSA-N 0 0 340.810 4.222 1 0 EIAFRN CCCC[C@@]12CC[C@]1(C(=O)OCC)C(=O)Nc1ccc(Cl)cc12 ZINC000034821509 212991662 /nfs/dbraw/zinc/99/16/62/212991662.db2.gz ADJOEVXWMGPLRU-ZWKOTPCHSA-N 0 0 335.831 4.063 1 0 EIAFRN O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccc(F)cc1F ZINC000072101725 216008271 /nfs/dbraw/zinc/00/82/71/216008271.db2.gz MXBQCLOKSYXOLR-SFHVURJKSA-N 0 0 331.749 4.297 1 0 EIAFRN Cc1ccc(-c2nc(Cn3nc(N)cc3-c3ccccc3)co2)cc1 ZINC000072102714 216008666 /nfs/dbraw/zinc/00/86/66/216008666.db2.gz WYLRDUQMGBMFLG-UHFFFAOYSA-N 0 0 330.391 4.144 1 0 EIAFRN Fc1ccc(NC(=S)NC2C3CC4CC(C3)CC2C4)c(F)c1F ZINC000072114871 216011571 /nfs/dbraw/zinc/01/15/71/216011571.db2.gz DERCJCAWHUUOFP-UHFFFAOYSA-N 0 0 340.414 4.215 1 0 EIAFRN COC(=O)C/C=C/[C@H](C)[C@@H](OC)c1cc(F)ccc1Br ZINC000072120048 216014269 /nfs/dbraw/zinc/01/42/69/216014269.db2.gz RPBLHNKNTOKICO-MBUKXHMDSA-N 0 0 345.208 4.031 1 0 EIAFRN O[C@@](c1ccc(Cl)cc1)(c1cncnc1)c1ccc(Cl)cc1F ZINC000072141454 216027704 /nfs/dbraw/zinc/02/77/04/216027704.db2.gz BARDOQOZPQZBAZ-KRWDZBQOSA-N 0 0 349.192 4.207 1 0 EIAFRN Cc1ccccc1-c1nc(Cn2nc(N)cc2-c2ccccc2)co1 ZINC000072182858 216067053 /nfs/dbraw/zinc/06/70/53/216067053.db2.gz AIELGUUKOBQBIF-UHFFFAOYSA-N 0 0 330.391 4.144 1 0 EIAFRN O=C(Nc1ccc(N2CCCC2)cc1)Nc1ccnc2ccccc21 ZINC000029558640 212673652 /nfs/dbraw/zinc/67/36/52/212673652.db2.gz UYOATQDUJFPHBQ-UHFFFAOYSA-N 0 0 332.407 4.479 1 0 EIAFRN CN(C)c1ccc(NC(=O)c2cn(C(C)(C)C)c3ncccc23)cc1 ZINC000072323181 216150132 /nfs/dbraw/zinc/15/01/32/216150132.db2.gz BBHVPIBHDQKEDS-UHFFFAOYSA-N 0 0 336.439 4.110 2 0 EIAFRN O=C(Nc1cccc(F)c1)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072322814 216150505 /nfs/dbraw/zinc/15/05/05/216150505.db2.gz VAVDCKGNMNYEHH-UHFFFAOYSA-N 0 0 345.377 4.476 2 0 EIAFRN Cc1ccc(-c2ncccc2[C@@H]2SCC(=O)N2CC(C)C)cc1 ZINC000028819694 212637865 /nfs/dbraw/zinc/63/78/65/212637865.db2.gz BXZISPJLLUPEGU-IBGZPJMESA-N 0 0 326.465 4.287 1 0 EIAFRN CCCCNC(=O)OCCCCCCCCOC(=O)NCCCC ZINC000028365523 212617184 /nfs/dbraw/zinc/61/71/84/212617184.db2.gz OHCUGEXUDAEKQB-UHFFFAOYSA-N 0 0 344.496 4.380 1 0 EIAFRN C=CC1=C(C(=O)NCc2ccc(C)cc2)[C@H](c2ccc(F)cc2)OC1 ZINC000073223808 216366862 /nfs/dbraw/zinc/36/68/62/216366862.db2.gz JXLCPKHFVVOOIL-FQEVSTJZSA-N 0 0 337.394 4.004 1 0 EIAFRN C=CC1=C(C(=O)NCCC)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 ZINC000073224474 216367355 /nfs/dbraw/zinc/36/73/55/216367355.db2.gz DZQGHRZQSYPKGW-OAHLLOKOSA-N 0 0 326.223 4.074 1 0 EIAFRN CC(C)Cc1ccc([C@@H](C)C(=O)Oc2ccc(CCO)cc2)cc1 ZINC000073297686 216374529 /nfs/dbraw/zinc/37/45/29/216374529.db2.gz YNCFJJJQCGMSHY-MRXNPFEDSA-N 0 0 326.436 4.129 1 0 EIAFRN CC(=O)N1N=C(Nc2nc3ccccc3s2)C[C@@H]1c1ccccc1 ZINC000045289151 213721047 /nfs/dbraw/zinc/72/10/47/213721047.db2.gz OWVGSTROYDEJLO-OAHLLOKOSA-N 0 0 336.420 4.015 1 0 EIAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CO)CC[C@H]12 ZINC000017140611 211956643 /nfs/dbraw/zinc/95/66/43/211956643.db2.gz IURJXDRUVNGNGB-UUFHMWEXSA-N 0 0 332.484 4.101 1 0 EIAFRN O=c1ccc(Nc2ccccc2Cl)nn1-c1ccccc1Cl ZINC000014961512 211778777 /nfs/dbraw/zinc/77/87/77/211778777.db2.gz CTCMKHXUZYGYOL-UHFFFAOYSA-N 0 0 332.190 4.283 1 0 EIAFRN FC(F)(F)Cc1nnc2ccc(-c3ocnc3-c3ccccc3)cn21 ZINC000014961248 211778405 /nfs/dbraw/zinc/77/84/05/211778405.db2.gz GVSDOQWURSXBNP-UHFFFAOYSA-N 0 0 344.296 4.156 1 0 EIAFRN OC[C@@H]1[C@@H](c2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000013813473 211643375 /nfs/dbraw/zinc/64/33/75/211643375.db2.gz VUFZASPEXYQTLI-NHCUHLMSSA-N 0 0 346.405 4.195 3 0 EIAFRN C[NH+](C)CCC/C=C1/c2ccccc2COc2ccc(C(=O)[O-])cc21 ZINC000013455795 211561890 /nfs/dbraw/zinc/56/18/90/211561890.db2.gz ARFFJDYERFVHNC-NVMNQCDNSA-N 0 0 337.419 4.051 1 0 EIAFRN Cc1c(-c2nc(-c3ccccc3C)no2)nnn1-c1cc(C)ccc1C ZINC000008673273 210977769 /nfs/dbraw/zinc/97/77/69/210977769.db2.gz SRTWFBXMWCLLOD-UHFFFAOYSA-N 0 0 345.406 4.218 1 0 EIAFRN O=C1CCc2cc([C@@H](c3ccccc3)c3cccnc3)cc3c2N1CC3 ZINC000095597566 218443935 /nfs/dbraw/zinc/44/39/35/218443935.db2.gz HIKPYRJBXFYBLG-QFIPXVFZSA-N 0 0 340.426 4.097 1 0 EIAFRN O=C1c2ccccc2[C@]2(c3ccc(Cl)c(Cl)c3)SCCN12 ZINC000006583031 210658903 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CCc1nn(-c2ccc(F)cc2)c2c1CCN(c1cccc(C)c1)C2=O ZINC000013779813 135703122 /nfs/dbraw/zinc/70/31/22/135703122.db2.gz OATHQRZSVDHXRZ-UHFFFAOYSA-N 0 0 349.409 4.085 1 0 EIAFRN O=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1 ZINC000169309140 226240912 /nfs/dbraw/zinc/24/09/12/226240912.db2.gz WYPGOAOLLLOOOT-UHFFFAOYSA-N 0 0 336.338 4.496 1 0 EIAFRN CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O ZINC000014819242 560226689 /nfs/dbraw/zinc/22/66/89/560226689.db2.gz GIFKZTHWWIZJET-SFHVURJKSA-N 0 0 340.375 4.019 1 0 biogenic,in-vitro EIAFRN Cc1cc(-c2c(=O)[nH]c3cnc(Cl)cc3c2-c2ccccc2)on1 ZINC000029126401 581091299 /nfs/dbraw/zinc/09/12/99/581091299.db2.gz XDJZWOKADJPYOE-UHFFFAOYSA-N 0 0 337.766 4.207 1 0 EIAFRN