smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1cc([C@H]2COc3cc(O)cc(O)c3C2=O)cc(O)c1O ZINC000014762914 291067070 /nfs/dbraw/zinc/06/70/70/291067070.db2.gz HCLPXVZSJXUHTK-CQSZACIVSA-N 0 0 356.374 3.377 1 10 biogenic,in-vitro FGCFRN CCO[P@]1(=O)C(SC)=NN(CC)C12C(=O)c1ccccc1C2=O ZINC000040917087 205085027 /nfs/dbraw/zinc/08/50/27/205085027.db2.gz NHIGJZRXRKFLQJ-JOCHJYFZSA-N 0 0 352.352 3.046 1 10 FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1 ZINC000103287754 205991373 /nfs/dbraw/zinc/99/13/73/205991373.db2.gz YLZBGPXHBURJCU-LSDHHAIUSA-N 0 0 374.736 3.304 1 10 FGCFRN Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCCC2 ZINC000144881788 206139976 /nfs/dbraw/zinc/13/99/76/206139976.db2.gz XZDITQKBHNRUDE-UHFFFAOYSA-N 0 0 368.412 3.498 1 10 FGCFRN O=c1cc(-c2ccccc2)oc2c(C[NH+]3CCCC3)c([O-])c(O)c(O)c12 ZINC000040917458 205085113 /nfs/dbraw/zinc/08/51/13/205085113.db2.gz ZFFYRARIZRJGOO-UHFFFAOYSA-N 0 0 353.374 3.173 1 10 FGCFRN CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(N(C)C)nc2c1O ZINC000036380898 205013237 /nfs/dbraw/zinc/01/32/37/205013237.db2.gz XLPCONLTMNUBOK-MRXNPFEDSA-N 0 0 359.813 3.478 1 10 FGCFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(OC)cccc2N(C)[C@H]31 ZINC000095552354 132215236 /nfs/dbraw/zinc/21/52/36/132215236.db2.gz PYPLYCPABPUNAA-FQEVSTJZSA-N 0 0 363.417 3.332 1 10 FGCFRN O=C1c2nccc(-c3ccccc3[N+](=O)[O-])c2C(=O)c2nccc(Cl)c21 ZINC000001483694 204009252 /nfs/dbraw/zinc/00/92/52/204009252.db2.gz RDKCBRISAKGWLU-UHFFFAOYSA-N 0 0 365.732 3.481 1 10 FGCFRN O=C(c1nc2cc(O)c(O)cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000036294476 205008167 /nfs/dbraw/zinc/00/81/67/205008167.db2.gz YNLLMIQTRYSAKL-UHFFFAOYSA-N 0 0 369.396 3.208 1 10 FGCFRN COc1cc(C2=NN[C@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC ZINC000064373094 205297338 /nfs/dbraw/zinc/29/73/38/205297338.db2.gz NJUMGXRDWXQICJ-INIZCTEOSA-N 0 0 355.438 3.217 1 10 FGCFRN O=C1NC(=S)S/C1=C\c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000169350386 206253690 /nfs/dbraw/zinc/25/36/90/206253690.db2.gz SHNSYXSEOHQMBW-JYOAFUTRSA-N 0 0 350.808 3.106 1 10 FGCFRN CC(C)(C)C(=O)N1Cc2cnnn2-c2ccc(N3CCCCC3)cc2C1 ZINC000095603033 534464105 /nfs/dbraw/zinc/46/41/05/534464105.db2.gz YXOOZGJSAONFOL-UHFFFAOYSA-N 0 0 353.470 3.146 3 10 FGCFRN O=C1c2c(O)cccc2C(=Cc2cc(O)c(O)c(O)c2)c2cccc(O)c21 ZINC000003810342 204110314 /nfs/dbraw/zinc/11/03/14/204110314.db2.gz MCYXTPNILAVSKG-UHFFFAOYSA-N 0 0 362.337 3.348 1 10 FGCFRN CC1=CC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)C=C1 ZINC000013123972 204522502 /nfs/dbraw/zinc/52/25/02/204522502.db2.gz DIUMKGCYLLEYNO-HNENSFHCSA-N 0 0 361.423 3.137 1 10 FGCFRN COc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(OC)c1 ZINC000025970432 132914535 /nfs/dbraw/zinc/91/45/35/132914535.db2.gz QWPCPTJLLXUWLI-UHFFFAOYSA-N 0 0 365.433 3.148 1 10 FGCFRN O=C(Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C3CC3)ccc1C2=O)C1CC1 ZINC000040934292 205084770 /nfs/dbraw/zinc/08/47/70/205084770.db2.gz SCYQIQINYUMLPD-UHFFFAOYSA-N 0 0 374.396 3.159 1 10 in-vivo FGCFRN CC(=O)Nc1ccc2c(c1)C(=O)N1CCc3c4ccccc4[nH]c3[C@@H]1N2C ZINC000095556525 132215206 /nfs/dbraw/zinc/21/52/06/132215206.db2.gz BJEKALZISDYFDX-HXUWFJFHSA-N 0 0 360.417 3.273 1 10 FGCFRN COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(C)c1OC)C2=O ZINC000069482124 291071507 /nfs/dbraw/zinc/07/15/07/291071507.db2.gz HPGBDEDFLPMZRF-UHFFFAOYSA-N 0 0 356.374 3.113 1 10 biogenic,in-vitro FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000103287772 209252371 /nfs/dbraw/zinc/25/23/71/209252371.db2.gz OHIUXRRKDCTHGN-ZFWWWQNUSA-N 0 0 374.736 3.304 1 10 FGCFRN O=C(Nc1ccc(NC(=O)C2CC2)c2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC000006005524 207124871 /nfs/dbraw/zinc/12/48/71/207124871.db2.gz XQGIQRRAXOJYFS-UHFFFAOYSA-N 0 0 374.396 3.159 1 10 FGCFRN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2O)c(C)c1 ZINC000096929760 209163002 /nfs/dbraw/zinc/16/30/02/209163002.db2.gz UBSRTACYVMJHNG-GOSISDBHSA-N 0 0 367.474 3.441 1 10 FGCFRN CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2ccccc2O1 ZINC000035079517 208120033 /nfs/dbraw/zinc/12/00/33/208120033.db2.gz QOASNZDEQMFYSX-NRFANRHFSA-N 0 0 352.434 3.084 1 10 FGCFRN COC(=O)CCCc1ccc2c3c(n(C)c(=O)c2c1)-c1ccccc1C3=O ZINC000095581451 209082125 /nfs/dbraw/zinc/08/21/25/209082125.db2.gz IWIASIUVOGDMMF-UHFFFAOYSA-N 0 0 361.397 3.246 1 10 FGCFRN C[NH+](C)CCCSc1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1 ZINC000103264523 209250980 /nfs/dbraw/zinc/25/09/80/209250980.db2.gz UKEXTKOOZRMBQF-UHFFFAOYSA-N 0 0 365.458 3.382 1 10 FGCFRN COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)N(C)C[C@@H]3OC ZINC000095099639 291071524 /nfs/dbraw/zinc/07/15/24/291071524.db2.gz ZWSNXMWHYIBIJA-GUYCJALGSA-N 0 0 357.406 3.012 1 10 biogenic,in-vitro FGCFRN CC1(C)OC(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)O1 ZINC000096929598 209162448 /nfs/dbraw/zinc/16/24/48/209162448.db2.gz YFDKYTSWZVLKCX-UHFFFAOYSA-N 0 0 350.168 3.150 1 10 FGCFRN CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC)ccc1C2=O ZINC000040919095 208274255 /nfs/dbraw/zinc/27/42/55/208274255.db2.gz FNUQOQZYSRMGQN-UHFFFAOYSA-N 0 0 350.374 3.159 1 10 in-vivo FGCFRN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1/C=C/c1ccc(N(C)C)cc1 ZINC000103219328 209250079 /nfs/dbraw/zinc/25/00/79/209250079.db2.gz FNKSSKJPNFVJGD-HBYKMFCXSA-N 0 0 353.397 3.472 1 10 FGCFRN Nc1ccc(CCn2cnc3c2nc(F)nc3Nc2cccc(N)c2)cc1 ZINC000040874490 208273364 /nfs/dbraw/zinc/27/33/64/208273364.db2.gz FSKGWVXVMAJROO-UHFFFAOYSA-N 0 0 363.400 3.116 1 10 FGCFRN Cc1cc(C)c(O)c(C2=NN[C@H](c3ccc(N4CCOCC4)cc3)C2)c1 ZINC000049034434 132953325 /nfs/dbraw/zinc/95/33/25/132953325.db2.gz QGNBOCOVWJETBK-IBGZPJMESA-N 0 0 351.450 3.284 1 10 FGCFRN COc1cc2c(cc1OC)N(C)[C@@H]1c3[nH]c4ccccc4c3CCN1C2=O ZINC000095555527 132215183 /nfs/dbraw/zinc/21/51/83/132215183.db2.gz FOKWIQLWBZUQGV-FQEVSTJZSA-N 0 0 363.417 3.332 1 10 FGCFRN COCC/C=C/c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2 ZINC000085645926 291069572 /nfs/dbraw/zinc/06/95/72/291069572.db2.gz ROZARGMLPGUFLC-RGXLEOPBSA-N 0 0 358.390 3.021 1 10 biogenic,in-vitro FGCFRN NC(=S)N=NC1c2ccccc2N([C@@H]2OC(=O)c3ccccc32)C1=O ZINC000102754963 209241043 /nfs/dbraw/zinc/24/10/43/209241043.db2.gz ZMSPWVPXMXCSNS-MVZUJROASA-N 0 0 352.375 3.392 1 10 FGCFRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(/N=N/N(C)C)cc1 ZINC000018058647 211190462 /nfs/dbraw/zinc/19/04/62/211190462.db2.gz ZXMVESLLHSLTDG-CCWVLBSLSA-N 0 0 368.437 3.151 1 10 FGCFRN NC(=S)N=NC1c2ccccc2N([C@H]2OC(=O)c3ccccc32)C1=O ZINC000013471556 211034569 /nfs/dbraw/zinc/03/45/69/211034569.db2.gz ZMSPWVPXMXCSNS-CVTQAYBASA-N 0 0 352.375 3.392 1 10 FGCFRN Cn1cc(C=C2C(=O)OC(C)(C)OC2=O)c2cc(Br)ccc21 ZINC000096929601 222142488 /nfs/dbraw/zinc/14/24/88/222142488.db2.gz JXXPMMYYKCDUSV-UHFFFAOYSA-N 0 0 364.195 3.160 1 10 FGCFRN COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)c(O)c3[C@@H]1C2 ZINC000014715497 210182474 /nfs/dbraw/zinc/18/24/74/210182474.db2.gz ONWMFADVKAKDCA-HNNXBMFYSA-N 0 0 371.433 3.082 1 10 FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1 ZINC000103287761 222331830 /nfs/dbraw/zinc/33/18/30/222331830.db2.gz YLZBGPXHBURJCU-GJZGRUSLSA-N 0 0 374.736 3.304 1 10 FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000103287766 222332335 /nfs/dbraw/zinc/33/23/35/222332335.db2.gz OHIUXRRKDCTHGN-DZGCQCFKSA-N 0 0 374.736 3.304 1 10 FGCFRN NC(=S)N=NC1c2ccccc2N([C@H]2OC(=O)c3ccccc32)C1=O ZINC000102754960 222307237 /nfs/dbraw/zinc/30/72/37/222307237.db2.gz ZMSPWVPXMXCSNS-DNTCVELPSA-N 0 0 352.375 3.392 1 10 FGCFRN COCCNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O ZINC000036741096 211674231 /nfs/dbraw/zinc/67/42/31/211674231.db2.gz OXFMRGSTPUJHFM-UHFFFAOYSA-N 0 0 369.465 3.098 1 10 FGCFRN COC(=O)CCCC(=O)Nc1ccc2c(c1)-c1ccccc1C(=O)C2=O ZINC000013862829 211064094 /nfs/dbraw/zinc/06/40/94/211064094.db2.gz PJJXXIKXRGBYLU-UHFFFAOYSA-N 0 0 351.358 3.014 1 10 FGCFRN NC(=S)N=NC1c2ccccc2N(CC(=O)Nc2ccccc2)C1=O ZINC000102711773 222305766 /nfs/dbraw/zinc/30/57/66/222305766.db2.gz SSZPXXTYGOWGSP-MRCUWXFGSA-N 0 0 353.407 3.313 1 10 FGCFRN COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc3n[nH]cc31)CCN2C ZINC000066077366 537008071 /nfs/dbraw/zinc/00/80/71/537008071.db2.gz RKMYUYQIMRIBDL-INIZCTEOSA-N 0 0 351.410 3.274 1 10 FGCFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(OC)ccc2N(C)[C@H]31 ZINC000095554812 132215223 /nfs/dbraw/zinc/21/52/23/132215223.db2.gz XYPIACFHOBWHQA-FQEVSTJZSA-N 0 0 363.417 3.332 1 10 FGCFRN Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccc3O)ccc12 ZINC000096905449 222137440 /nfs/dbraw/zinc/13/74/40/222137440.db2.gz ZHXCMKWXKKRZTA-IBGZPJMESA-N 0 0 352.415 3.321 1 10 FGCFRN COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592766 291069245 /nfs/dbraw/zinc/06/92/45/291069245.db2.gz UWOBERKLAKOFSQ-SFTDATJTSA-N 0 0 356.418 3.301 1 10 biogenic,in-vitro FGCFRN COc1cc(OC)c2c(=O)c(C)c(-c3ccc(O)c(O)c3)oc2c1OC ZINC000013822651 211062090 /nfs/dbraw/zinc/06/20/90/211062090.db2.gz FYXDJSGCPMQPLO-UHFFFAOYSA-N 0 0 358.346 3.205 1 10 FGCFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(F)ccc2N(C)[C@@H]31 ZINC000095555143 132215330 /nfs/dbraw/zinc/21/53/30/132215330.db2.gz IIBBDHJWIQMYIZ-LJQANCHMSA-N 0 0 351.381 3.463 1 10 FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000103287908 222332121 /nfs/dbraw/zinc/33/21/21/222332121.db2.gz BLDHJEUAUYXHGB-LSDHHAIUSA-N 0 0 374.736 3.304 1 10 FGCFRN COCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2 ZINC000095583205 221964998 /nfs/dbraw/zinc/96/49/98/221964998.db2.gz IMLNZIUXRPBDBX-UHFFFAOYSA-N 0 0 364.357 3.158 1 10 FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccccc1Cl ZINC000103287769 222332023 /nfs/dbraw/zinc/33/20/23/222332023.db2.gz OHIUXRRKDCTHGN-HIFRSBDPSA-N 0 0 374.736 3.304 1 10 FGCFRN Cn1ncc2c1-c1cnc(N)c(c1)OCc1cc(F)ccc1OCCC2 ZINC000145081291 222546825 /nfs/dbraw/zinc/54/68/25/222546825.db2.gz LMZGMLCWYMKZIR-UHFFFAOYSA-N 0 0 354.385 3.107 1 10 FGCFRN COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc3n[nH]cc31)CCN2C ZINC000066077368 136136804 /nfs/dbraw/zinc/13/68/04/136136804.db2.gz RKMYUYQIMRIBDL-MRXNPFEDSA-N 0 0 351.410 3.274 1 10 FGCFRN CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCN(c2ccco2)CC1 ZINC000043121356 220946050 /nfs/dbraw/zinc/94/60/50/220946050.db2.gz WWWBAMGHRSRMDH-LGMDPLHJSA-N 0 0 370.840 3.362 1 10 FGCFRN O=S(=O)(Nc1cc(F)c(O)c(F)c1)c1ccc(N2CCCC2)cc1 ZINC000064454132 221146680 /nfs/dbraw/zinc/14/66/80/221146680.db2.gz QPXMATDIUQDPJT-UHFFFAOYSA-N 0 0 354.378 3.071 1 10 FGCFRN CO[C@@]12C(=C(c3cnccn3)C1c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096934702 222143291 /nfs/dbraw/zinc/14/32/91/222143291.db2.gz DDWFJEGFHQNUKG-NFBKMPQASA-N 0 0 368.392 3.482 1 10 FGCFRN Nc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 ZINC000013862158 220098370 /nfs/dbraw/zinc/09/83/70/220098370.db2.gz HIBAKABFMSYTTR-UHFFFAOYSA-N 0 0 359.381 3.168 1 10 FGCFRN COc1cc(OC)c(C(=O)c2cccc(F)c2)c([O-])c1C[NH+]1CCCC1 ZINC000049112032 221019508 /nfs/dbraw/zinc/01/95/08/221019508.db2.gz WDKVOQDTNUONSQ-UHFFFAOYSA-N 0 0 359.397 3.375 1 10 FGCFRN CN(C)c1ccc(Cn2cnc3c2nc(C(F)(F)F)nc3N(C)C)cc1 ZINC000029472822 220605210 /nfs/dbraw/zinc/60/52/10/220605210.db2.gz BAAKRNXDXDRKHT-UHFFFAOYSA-N 0 0 364.375 3.025 1 10 FGCFRN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccccc2O)c(C)c1 ZINC000096929761 222142160 /nfs/dbraw/zinc/14/21/60/222142160.db2.gz UBSRTACYVMJHNG-SFHVURJKSA-N 0 0 367.474 3.441 1 10 FGCFRN COc1cc2c(cc1OC)-c1c(O)c(O)cc3c1[C@H](C2)N(C)C[C@H]3OC ZINC000095099640 291071555 /nfs/dbraw/zinc/07/15/55/291071555.db2.gz ZWSNXMWHYIBIJA-SUMWQHHRSA-N 0 0 357.406 3.012 1 10 biogenic,in-vitro FGCFRN CC[NH+](CC)CCOc1ccc2c(c1)oc1c2c(O)c2ccccc2c1[O-] ZINC000026173836 220506432 /nfs/dbraw/zinc/50/64/32/220506432.db2.gz HRGYVYLNOUCSJW-DENIHFKCSA-N 0 0 365.429 3.331 1 10 FGCFRN COc1cc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c(C(C)=O)c1OC ZINC000096929559 222142387 /nfs/dbraw/zinc/14/23/87/222142387.db2.gz NZKPEOCLCJZICW-UHFFFAOYSA-N 0 0 356.330 3.091 1 10 FGCFRN COc1cc(C2=NN[C@@H](c3ccc(N(C)C)cc3)C2)cc(OC)c1OC ZINC000058581319 221122029 /nfs/dbraw/zinc/12/20/29/221122029.db2.gz NJUMGXRDWXQICJ-MRXNPFEDSA-N 0 0 355.438 3.217 1 10 FGCFRN COc1ccc(N2CCN(c3cc(=O)oc4ccc(C)cc43)CC2)cc1 ZINC000049563704 132954390 /nfs/dbraw/zinc/95/43/90/132954390.db2.gz SCLAVOANNLALMA-UHFFFAOYSA-N 0 0 350.418 3.437 1 10 FGCFRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000103287910 222331931 /nfs/dbraw/zinc/33/19/31/222331931.db2.gz BLDHJEUAUYXHGB-CABCVRRESA-N 0 0 374.736 3.304 1 10 FGCFRN Cc1cc2c(n1-c1ccc(C(=O)N3CCN(C)CC3)cc1)CC[C@@H](C)C2 ZINC000006878011 204279362 /nfs/dbraw/zinc/27/93/62/204279362.db2.gz IWNKEKSIPXVAMP-MRXNPFEDSA-N 0 0 351.494 3.298 1 10 FGCFRN COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 ZINC000169309917 206249615 /nfs/dbraw/zinc/24/96/15/206249615.db2.gz WOYRGNCJICXWHY-UHFFFAOYSA-N 0 0 371.392 3.401 3 10 FGCFRN Cc1cc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c(N2CCCC2)c1 ZINC000028822430 204889917 /nfs/dbraw/zinc/88/99/17/204889917.db2.gz RMLDMCRTWNEELE-UHFFFAOYSA-N 0 0 353.374 3.485 1 10 FGCFRN COc1ccc(N2CCN(c3cc(=O)c4cc(OC)ccc4o3)CC2)cc1 ZINC000103067242 132236160 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360.417 3.273 1 10 FGCFRN CO[C@]12C(=C(c3cnccn3)C1c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096934703 222143939 /nfs/dbraw/zinc/14/39/39/222143939.db2.gz DDWFJEGFHQNUKG-REWPJTCUSA-N 0 0 368.392 3.482 1 10 FGCFRN O=C(OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1 ZINC000103235118 222327777 /nfs/dbraw/zinc/32/77/77/222327777.db2.gz MSPWCCZZOGHZHE-UHFFFAOYSA-N 0 0 374.348 3.230 1 10 FGCFRN CCn1c(-c2cc(OC)cc(OC)c2)nc2c1C(=O)c1ccccc1C2=O ZINC000013215843 220060887 /nfs/dbraw/zinc/06/08/87/220060887.db2.gz FAEMHGXSUPXMRQ-UHFFFAOYSA-N 0 0 362.385 3.363 1 10 FGCFRN CO[C@@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1 ZINC000013377886 291069583 /nfs/dbraw/zinc/06/95/83/291069583.db2.gz KGQIYLSVVQCRJA-INIZCTEOSA-N 0 0 360.406 3.049 1 10 biogenic,in-vitro FGCFRN CO[C@H](CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1 ZINC000013377887 291069630 /nfs/dbraw/zinc/06/96/30/291069630.db2.gz KGQIYLSVVQCRJA-MRXNPFEDSA-N 0 0 360.406 3.049 1 10 biogenic,in-vitro FGCFRN Cn1cc(C2=C(c3cc4ccccc4n3C)C(=O)NC2=O)c2ccccc21 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OLIZELSPPAVOEM-INIZCTEOSA-N 0 0 357.369 3.459 1 10 FGCFRN CC(C)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O ZINC000096929295 222142429 /nfs/dbraw/zinc/14/24/29/222142429.db2.gz DPYXRQRKNCJDAN-XBXARRHUSA-N 0 0 356.378 3.050 1 10 FGCFRN CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(O)c1 ZINC000013118318 220058229 /nfs/dbraw/zinc/05/82/29/220058229.db2.gz WSDHPUOHJBWIOH-WOJGMQOQSA-N 0 0 365.458 3.009 1 10 FGCFRN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2c(OC)cccc2N(C)[C@@H]31 ZINC000095552353 132215250 /nfs/dbraw/zinc/21/52/50/132215250.db2.gz PYPLYCPABPUNAA-HXUWFJFHSA-N 0 0 363.417 3.332 1 10 FGCFRN O=C1Nc2ccc(Br)cc2C1N=NC(=S)N1CCOCC1 ZINC000101957184 222286823 /nfs/dbraw/zinc/28/68/23/222286823.db2.gz UVTGFBZARMYBIL-WUKNDPDISA-N 0 0 369.244 3.337 1 10 FGCFRN O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3cc(O)c(O)cc3c12 ZINC000013372378 220066309 /nfs/dbraw/zinc/06/63/09/220066309.db2.gz BJIPXXAEQIWODL-UHFFFAOYSA-N 0 0 357.325 3.250 1 10 FGCFRN Cc1ccc(-c2c3c(nc4[nH]c(=O)[nH]c(=O)c42)-c2ccccc2C3=O)cc1 ZINC000071329856 221344028 /nfs/dbraw/zinc/34/40/28/221344028.db2.gz AJWJBCGSYNUAGP-UHFFFAOYSA-N 0 0 355.353 3.211 1 10 FGCFRN CC(C)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1O)CC2=O ZINC000071295580 221340969 /nfs/dbraw/zinc/34/09/69/221340969.db2.gz BPCXQZQCGCNZOS-MRXNPFEDSA-N 0 0 372.373 3.430 1 10 FGCFRN