smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1C(=O)C(=Cc2cc(Br)cc(OC)c2O)NC1=S ZINC000104991176 728504211 /nfs/dbraw/zinc/50/42/11/728504211.db2.gz FELSFVXAKPWPOB-POHAHGRESA-N 0 0 371.256 2.631 50 10 FFCARN CCO/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000001644665 204014617 /nfs/dbraw/zinc/01/46/17/204014617.db2.gz YPXFSJYGEAAEKN-UVTDQMKNSA-N 0 0 353.465 2.985 50 10 FFCARN COc1ccc(CNC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 ZINC000003833255 204111583 /nfs/dbraw/zinc/11/15/83/204111583.db2.gz SAAUFNFGJRBZER-PDGQHHTCSA-N 0 0 366.377 3.000 50 10 FFCARN CC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@H]1c1ccccc1O ZINC000004699322 204156735 /nfs/dbraw/zinc/15/67/35/204156735.db2.gz GWZCUKQLWFSFPP-APWZRJJASA-N 0 0 356.447 2.671 50 10 FFCARN CCc1ccc(N2CC[C@@H](C(=O)NCc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000021045325 204745165 /nfs/dbraw/zinc/74/51/65/204745165.db2.gz VAOIIYMLSSRYRS-FQEVSTJZSA-N 0 0 365.477 2.984 50 10 FFCARN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CN1CCOCC1 ZINC000027519532 204863634 /nfs/dbraw/zinc/86/36/34/204863634.db2.gz VWUBCLUOHSQVGY-UKTHLTGXSA-N 0 0 354.884 2.831 50 10 FFCARN COc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC ZINC000026686915 204853749 /nfs/dbraw/zinc/85/37/49/204853749.db2.gz OGLXPHHKRQZXID-VIWCAORXSA-N 0 0 362.451 2.783 50 10 FFCARN CC(=O)N1CCN(C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000032901439 204944964 /nfs/dbraw/zinc/94/49/64/204944964.db2.gz XEZOWEBXMULVLB-MDZDMXLPSA-N 0 0 351.450 2.798 50 10 FFCARN COc1ccccc1[C@@H]1OC(c2ccc(O)cc2OC(C)=O)=NN1C(C)=O ZINC000064567878 205301018 /nfs/dbraw/zinc/30/10/18/205301018.db2.gz ODJJYFUUOULQPI-IBGZPJMESA-N 0 0 370.361 2.565 50 10 FFCARN O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccco1 ZINC000002279834 206154638 /nfs/dbraw/zinc/15/46/38/206154638.db2.gz RGMJOBQRVNCCSE-FFBKCXOWSA-N 0 0 356.378 2.802 50 10 FFCARN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccnc1 ZINC000001746990 206151853 /nfs/dbraw/zinc/15/18/53/206151853.db2.gz WFAOFDVPDWTCPK-NTEUORMPSA-N 0 0 355.444 2.922 50 10 FFCARN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2ccccc2n1 ZINC000055523606 136126814 /nfs/dbraw/zinc/12/68/14/136126814.db2.gz RZAGPUIHQMLHKH-UHFFFAOYSA-N 0 0 366.396 2.536 50 10 FFCARN CCOC(=O)COc1ccccc1/C=C1\SC(=S)N(CC)C1=O ZINC000001163901 506251967 /nfs/dbraw/zinc/25/19/67/506251967.db2.gz WIQCTDHNKGCTBP-LCYFTJDESA-N 0 0 351.449 2.850 50 10 FFCARN CCN(CC)c1ccc(/C=C2/SC(=S)N(CC(=O)OC)C2=O)cc1 ZINC000001191194 506253503 /nfs/dbraw/zinc/25/35/03/506253503.db2.gz IFADTBGBYGDIQI-GXDHUFHOSA-N 0 0 364.492 2.907 50 10 FFCARN CCC(=O)N(C)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1 ZINC000035960337 506392722 /nfs/dbraw/zinc/39/27/22/506392722.db2.gz NPFCHRQTKDXHNI-IBGZPJMESA-N 0 0 366.465 2.880 50 10 FFCARN COc1cc(OC)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000010906990 506758248 /nfs/dbraw/zinc/75/82/48/506758248.db2.gz FKLSIBFCZDOHIL-UHFFFAOYSA-N 0 0 370.449 2.813 50 10 FFCARN COc1ccc(N2CCN([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000013110231 506929317 /nfs/dbraw/zinc/92/93/17/506929317.db2.gz TVJMMSPQHGUNHP-KSZLIROESA-N 0 0 359.514 2.710 50 10 FFCARN Cc1cccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1 ZINC000014197695 506977676 /nfs/dbraw/zinc/97/76/76/506977676.db2.gz HVYBCVWPTANEGX-SSZFMOIBSA-N 0 0 362.520 2.919 50 10 FFCARN CCOc1ccccc1C(=O)NCN1CCN(c2ccc(OC)cc2)CC1 ZINC000015084123 507018792 /nfs/dbraw/zinc/01/87/92/507018792.db2.gz KSRDZVOIAXFQFH-UHFFFAOYSA-N 0 0 369.465 2.603 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000018150420 507140605 /nfs/dbraw/zinc/14/06/05/507140605.db2.gz BKPQQJRQMOEKBV-UHFFFAOYSA-N 0 0 360.479 2.569 50 10 FFCARN Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NC1CCCC1 ZINC000019794003 507201591 /nfs/dbraw/zinc/20/15/91/507201591.db2.gz JNICCNQEAQMESB-UHFFFAOYSA-N 0 0 358.438 2.951 50 10 FFCARN CN1CCN(C2=NC(=O)/C(=C/c3ccc(OC(F)F)cc3)S2)CC1 ZINC000023115527 507329936 /nfs/dbraw/zinc/32/99/36/507329936.db2.gz ZBCIFIZCTXNMSU-RAXLEYEMSA-N 0 0 353.394 2.506 50 10 FFCARN Cc1ccc(C)n1-c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000025748056 507528559 /nfs/dbraw/zinc/52/85/59/507528559.db2.gz KYHVRIJQBXDWRH-UHFFFAOYSA-N 0 0 355.482 2.935 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000028495196 507728253 /nfs/dbraw/zinc/72/82/53/507728253.db2.gz NNUUWCSSMZKCTB-UHFFFAOYSA-N 0 0 367.449 2.675 50 10 FFCARN Oc1ccc(C(n2nnc3ccccc32)n2nnc3ccccc32)c(O)c1 ZINC000075278171 508093697 /nfs/dbraw/zinc/09/36/97/508093697.db2.gz PHPWJCZGUFHUGM-UHFFFAOYSA-N 0 0 358.361 2.682 50 10 FFCARN Nc1nonc1N=NN(Cc1ccc(Cl)cc1Cl)c1nonc1N ZINC000252593438 509855248 /nfs/dbraw/zinc/85/52/48/509855248.db2.gz BJUHUOKYCCQRSX-UHFFFAOYSA-N 0 0 370.160 2.629 50 10 FFCARN CC1=Nc2ccccc2C1=CN=NC(=O)CN1N=CN2NC(C)=CC(=O)C21 ZINC000334159116 511467145 /nfs/dbraw/zinc/46/71/45/511467145.db2.gz OQXBSOZORQLDDN-RCTVDGIPSA-N 0 0 363.381 2.822 50 10 FFCARN Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000020603767 525056513 /nfs/dbraw/zinc/05/65/13/525056513.db2.gz ASZSJPAJWKVHQY-OAQYLSRUSA-N 0 0 367.493 2.864 50 10 FFCARN Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 ZINC000020603770 525056797 /nfs/dbraw/zinc/05/67/97/525056797.db2.gz ASZSJPAJWKVHQY-NRFANRHFSA-N 0 0 367.493 2.864 50 10 FFCARN COc1ccc(N2CCN(C(=O)/C=C/c3ccc4c(c3)OCO4)CC2)cc1 ZINC000002549322 536675775 /nfs/dbraw/zinc/67/57/75/536675775.db2.gz LXFFLXZLJFRNNO-YCRREMRBSA-N 0 0 366.417 2.786 50 10 FFCARN CCN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(CC)C1=S ZINC000206629001 571149563 /nfs/dbraw/zinc/14/95/63/571149563.db2.gz JBLJBMIMRNXFHG-BQYQJAHWSA-N 0 0 357.479 2.688 50 10 FFCARN O=C(c1c(-c2cncnc2)cc(=O)n2c1CCCC2)N1CCCCCC1 ZINC000581799667 999945457 /nfs/dbraw/zinc/94/54/57/999945457.db2.gz HBVOABJONRHMDI-UHFFFAOYSA-N 0 0 352.438 2.658 50 10 FFCARN O=C(NCCc1ccccc1)c1c(-c2cncnc2)cc(=O)n2c1CCCC2 ZINC000581799656 999945479 /nfs/dbraw/zinc/94/54/79/999945479.db2.gz FKWNFKNTMRLWTG-UHFFFAOYSA-N 0 0 374.444 2.614 50 10 FFCARN Oc1cc2c(cc1[C@H](Nc1ncccn1)c1ccc3c(c1)OCO3)OCO2 ZINC000001586969 204013440 /nfs/dbraw/zinc/01/34/40/204013440.db2.gz HHZXPZVNDPQYIP-GOSISDBHSA-N 0 0 365.345 2.841 50 10 FFCARN CCCCC1(C)OC(=O)C(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)O1 ZINC000001890667 204022318 /nfs/dbraw/zinc/02/23/18/204022318.db2.gz PLHAZWHZLVWQBH-UHFFFAOYSA-N 0 0 363.322 2.713 50 10 FFCARN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 ZINC000002807149 204059730 /nfs/dbraw/zinc/05/97/30/204059730.db2.gz RGHPHXNSPKXQNN-UHFFFAOYSA-N 0 0 373.346 2.618 50 10 FFCARN CCN(CC)C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000004573263 204148728 /nfs/dbraw/zinc/14/87/28/204148728.db2.gz JHFGKELGALVTPV-UHFFFAOYSA-N 0 0 352.346 2.852 50 10 FFCARN COc1c(Cl)cc(Br)cc1/C=C1\NC(=S)N(C)C1=O ZINC000004725629 204159356 /nfs/dbraw/zinc/15/93/56/204159356.db2.gz HZQRWXOKSFPEIA-WTKPLQERSA-N 0 0 361.648 2.799 50 10 FFCARN COc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(OC)c1OC ZINC000004320757 204132798 /nfs/dbraw/zinc/13/27/98/204132798.db2.gz ZNTNJUAMOCHVRA-UHFFFAOYSA-N 0 0 362.378 2.856 50 10 FFCARN COc1ccc(N(CCC(N)=O)Cc2nnc(-c3ccccc3)o2)cc1 ZINC000008707959 204340022 /nfs/dbraw/zinc/34/00/22/204340022.db2.gz MJFZWRLMERDMIW-UHFFFAOYSA-N 0 0 352.394 2.627 50 10 FFCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNNc1ccc(F)cc1 ZINC000012861983 204502667 /nfs/dbraw/zinc/50/26/67/204502667.db2.gz WESJXUWWQMBTEP-YBEGLDIGSA-N 0 0 355.329 2.957 50 10 FFCARN CCOc1ccccc1[C@H]1CC(=O)NC(NC(=O)c2ccc(C)cc2)=N1 ZINC000020924805 204740629 /nfs/dbraw/zinc/74/06/29/204740629.db2.gz MSJBYCMUDTXKME-MRXNPFEDSA-N 0 0 351.406 2.741 50 10 FFCARN Cc1nnc2ccc(N3N=C(C)C(=CNc4ccc(Cl)cc4)C3=O)nn12 ZINC000036352971 205012292 /nfs/dbraw/zinc/01/22/92/205012292.db2.gz KSZGSZLCYDYIGS-NTEUORMPSA-N 0 0 367.800 2.805 50 10 FFCARN O=C(COc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285235 205199103 /nfs/dbraw/zinc/19/91/03/205199103.db2.gz PEJJNDSPFYZAJB-UHFFFAOYSA-N 0 0 360.841 2.872 50 10 FFCARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N(C)Cc1ccccc1O)(C3)C2 ZINC000053914661 205196074 /nfs/dbraw/zinc/19/60/74/205196074.db2.gz LYLOVVGEYZSHJM-XBLGPDGASA-N 0 0 356.466 2.826 50 10 FFCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)NCCCc1ccccc1 ZINC000004089698 206169416 /nfs/dbraw/zinc/16/94/16/206169416.db2.gz QYQUWEQXYXEKLR-UHFFFAOYSA-N 0 0 367.401 2.804 50 10 biogenic FFCARN CN(C)c1ccc(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000008171205 206213414 /nfs/dbraw/zinc/21/34/14/206213414.db2.gz GVUJTPDAOQLUPF-KRWDZBQOSA-N 0 0 355.463 2.872 50 10 FFCARN O=C(c1cccc2[nH]c(=O)oc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153891605 206220589 /nfs/dbraw/zinc/22/05/89/206220589.db2.gz VKXOGHFJQFVBAM-AWEZNQCLSA-N 0 0 368.389 2.648 50 10 FFCARN CN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CCOCC3)ccc21 ZINC000022733372 206393608 /nfs/dbraw/zinc/39/36/08/206393608.db2.gz UHEFJPGOCCUQPM-GOSISDBHSA-N 0 0 371.506 2.544 50 10 FFCARN COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(OC)c1OC ZINC000096314339 132225033 /nfs/dbraw/zinc/22/50/33/132225033.db2.gz TUJPSSQCSWJPFD-UHFFFAOYSA-N 0 0 352.431 2.770 50 10 FFCARN O=c1cc(CN2CCN(c3ccccc3)CC2)c2ccc(O)c(O)c2o1 ZINC000054147573 132376266 /nfs/dbraw/zinc/37/62/66/132376266.db2.gz CELBURDFNXLJDX-UHFFFAOYSA-N 0 0 352.390 2.526 50 10 biogenic FFCARN COc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000000803207 132378560 /nfs/dbraw/zinc/37/85/60/132378560.db2.gz OWWBICCVQNZKLW-UHFFFAOYSA-N 0 0 370.449 2.604 50 10 FFCARN COc1ccc(N2CCN(C(=O)CSc3nc(C)cc(C)n3)CC2)cc1 ZINC000002653992 132383898 /nfs/dbraw/zinc/38/38/98/132383898.db2.gz MZIBQGYCRIFFTR-UHFFFAOYSA-N 0 0 372.494 2.543 50 10 FFCARN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C)cc3)CC2)cc1 ZINC000003555468 132385493 /nfs/dbraw/zinc/38/54/93/132385493.db2.gz AMIODPQFISQDIV-UHFFFAOYSA-N 0 0 368.433 2.509 50 10 FFCARN CCOC(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000052457041 136124264 /nfs/dbraw/zinc/12/42/64/136124264.db2.gz MABXBZZPHUVEEB-UHFFFAOYSA-N 0 0 359.401 2.846 50 10 FFCARN COc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1OC ZINC000000858385 506236392 /nfs/dbraw/zinc/23/63/92/506236392.db2.gz OGLXPHHKRQZXID-GAAFXGMGSA-N 0 0 362.451 2.783 50 10 FFCARN Cc1oc2ncnc(OCC(=O)NCc3ccc(N(C)C)cc3)c2c1C ZINC000032996847 506323961 /nfs/dbraw/zinc/32/39/61/506323961.db2.gz DSSUEHQXRTXAMN-UHFFFAOYSA-N 0 0 354.410 2.601 50 10 FFCARN COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C)cc2)c1 ZINC000006715928 506500415 /nfs/dbraw/zinc/50/04/15/506500415.db2.gz GGZHUHXQMVQGJH-UHFFFAOYSA-N 0 0 356.422 2.858 50 10 FFCARN CCN1c2ccccc2/C(=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)C1=O ZINC000012411988 506859519 /nfs/dbraw/zinc/85/95/19/506859519.db2.gz ZWHICDKPELRIJC-PHIZWAGYSA-N 0 0 374.487 2.804 50 10 FFCARN C[C@H]1CCCC[C@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O ZINC000012533780 506872416 /nfs/dbraw/zinc/87/24/16/506872416.db2.gz BJCRSFJXVPFYMI-YWZLYKJASA-N 0 0 358.486 2.643 50 10 FFCARN CCOc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2cccc(C)c2)=N1 ZINC000015679131 507054539 /nfs/dbraw/zinc/05/45/39/507054539.db2.gz LWERLDXCFTVZOI-INIZCTEOSA-N 0 0 351.406 2.741 50 10 FFCARN CN(C)c1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000026842118 507613470 /nfs/dbraw/zinc/61/34/70/507613470.db2.gz AINIYOKYARQLTG-LQZBDKQGSA-N 0 0 374.469 2.935 50 10 FFCARN CCOc1cc(Br)cc(/C=C2\NC(=S)N(CC)C2=O)c1O ZINC000100274744 508238955 /nfs/dbraw/zinc/23/89/55/508238955.db2.gz ORBTTZAKTXJGLU-POHAHGRESA-N 0 0 371.256 2.631 50 10 FFCARN CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000008776966 534798562 /nfs/dbraw/zinc/79/85/62/534798562.db2.gz GUZFYWMPZQKEQH-UHFFFAOYSA-N 0 0 369.465 2.943 50 10 FFCARN COc1ccc(N2CC[NH+](CCOc3ccccc3C(=O)[O-])CC2)cc1 ZINC000237274191 536699433 /nfs/dbraw/zinc/69/94/33/536699433.db2.gz BDUDHCANNILQJR-UHFFFAOYSA-N 0 0 356.422 2.594 50 10 FFCARN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000047322903 570885730 /nfs/dbraw/zinc/88/57/30/570885730.db2.gz PUSDRQBYLFSLSO-UHFFFAOYSA-N 0 0 374.372 2.892 50 10 FFCARN CC1CCN(c2ccc(CNC(=O)[C@]3(C)CCCCC(=O)N3)cc2)CC1 ZINC000581786055 999944534 /nfs/dbraw/zinc/94/45/34/999944534.db2.gz YTDALHGCIPRGLC-NRFANRHFSA-N 0 0 357.498 2.988 50 10 FFCARN CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000002902487 204066080 /nfs/dbraw/zinc/06/60/80/204066080.db2.gz VQLVLTUGTJAVKO-RAXLEYEMSA-N 0 0 351.449 2.850 50 10 FFCARN COc1cccc([C@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)c1O ZINC000003053332 204077421 /nfs/dbraw/zinc/07/74/21/204077421.db2.gz CCSRPHARXGJWSH-KRWDZBQOSA-N 0 0 367.361 2.827 50 10 FFCARN CCCCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)C(C(=O)OC)=C1C ZINC000002648499 206230219 /nfs/dbraw/zinc/23/02/19/206230219.db2.gz RZAPXQSMVLYVMU-VBKFSLOCSA-N 0 0 357.406 2.946 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cc(C)c(C)[nH]c3=O)CC2(C)C)cc1 ZINC000077300072 132179900 /nfs/dbraw/zinc/17/99/00/132179900.db2.gz BKQLNOBWALIDGD-UHFFFAOYSA-N 0 0 369.465 2.741 50 10 FFCARN CCOc1cc([N+](=O)[O-])c(N2CCN(CCOC)[C@@H](C)C2)cc1OCC ZINC000225559311 132285154 /nfs/dbraw/zinc/28/51/54/132285154.db2.gz HDKGCGVCIDEPCX-AWEZNQCLSA-N 0 0 367.446 2.549 50 10 FFCARN COc1ccc(N2CCN([C@H](C)C(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000034684269 136117957 /nfs/dbraw/zinc/11/79/57/136117957.db2.gz LCJPGOLBZNTGHK-GOSISDBHSA-N 0 0 367.493 2.831 50 10 FFCARN COc1ccc(N2CCN([C@H](C)C(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000042290162 136121209 /nfs/dbraw/zinc/12/12/09/136121209.db2.gz FRXKGCHCROEVSN-LXPRWKDFSA-N 0 0 359.514 2.901 50 10 FFCARN Cc1cc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)ccc1[N+](=O)[O-] ZINC000000713089 506229248 /nfs/dbraw/zinc/22/92/48/506229248.db2.gz BFGVJCWGIITMOV-UHFFFAOYSA-N 0 0 357.347 2.918 50 10 FFCARN COCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000002987826 506305725 /nfs/dbraw/zinc/30/57/25/506305725.db2.gz CSTYPPSBODTZPZ-LCYFTJDESA-N 0 0 369.464 2.560 50 10 FFCARN CC(=O)N(C)CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1 ZINC000035962120 506391561 /nfs/dbraw/zinc/39/15/61/506391561.db2.gz WFTYNJFJNIRVRF-GOSISDBHSA-N 0 0 372.856 2.835 50 10 FFCARN COc1ccc(N2CCN(CC(=O)c3ccc(OC)c(OC)c3)CC2)cc1 ZINC000036292764 506398461 /nfs/dbraw/zinc/39/84/61/506398461.db2.gz NPAGARGEBFWDII-UHFFFAOYSA-N 0 0 370.449 2.717 50 10 FFCARN CC(C)Nc1cc(N2CCOCC2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000005452331 506444103 /nfs/dbraw/zinc/44/41/03/506444103.db2.gz CNTBQGKRRXCCNJ-UHFFFAOYSA-N 0 0 365.433 2.701 50 10 FFCARN COc1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000007497005 506567122 /nfs/dbraw/zinc/56/71/22/506567122.db2.gz LXQGWFDHCHNPPE-UHFFFAOYSA-N 0 0 357.366 2.692 50 10 FFCARN CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O ZINC000012512975 506869534 /nfs/dbraw/zinc/86/95/34/506869534.db2.gz UFQMWOHNXKOWGG-CSNJMMPQSA-N 0 0 360.435 2.908 50 10 FFCARN COCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(N(C)C)cc1 ZINC000014610804 506995465 /nfs/dbraw/zinc/99/54/65/506995465.db2.gz FGDFWXIMYUDULA-UHFFFAOYSA-N 0 0 355.398 2.503 50 10 FFCARN COc1cccc(C(=O)NC2=N[C@@H](c3ccccc3Cl)CC(=O)N2)c1 ZINC000020530811 507225350 /nfs/dbraw/zinc/22/53/50/507225350.db2.gz KHCZTYKSNQDGHO-OAHLLOKOSA-N 0 0 357.797 2.696 50 10 FFCARN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000022664786 507303001 /nfs/dbraw/zinc/30/30/01/507303001.db2.gz LNKOIQZXLNUDNC-HXUWFJFHSA-N 0 0 371.456 2.695 50 10 FFCARN Cc1cc(C(=O)N(C)Cc2nnc(C3CC3)n2C)c(C)n1-c1ccccn1 ZINC000072305510 507774402 /nfs/dbraw/zinc/77/44/02/507774402.db2.gz MJAJPKZTUPBIHB-UHFFFAOYSA-N 0 0 364.453 2.767 50 10 FFCARN CCc1ccccc1NC(=O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031727211 507821303 /nfs/dbraw/zinc/82/13/03/507821303.db2.gz OMOKZBYWPQHKIR-UHFFFAOYSA-N 0 0 354.454 2.753 50 10 FFCARN NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)CC1 ZINC000096346688 508213787 /nfs/dbraw/zinc/21/37/87/508213787.db2.gz BCBFBJMAHQTWSY-JXMROGBWSA-N 0 0 355.872 2.569 50 10 FFCARN CCN(CC)c1ccc(CN2C(=O)N[C@H]([C@@H]3CCCOC3)C2=O)cc1F ZINC000170613964 509681329 /nfs/dbraw/zinc/68/13/29/509681329.db2.gz QMBLJWSJPLOZIN-RHSMWYFYSA-N 0 0 363.433 2.519 50 10 FFCARN O=C(Cc1ccccc1F)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789288 969422583 /nfs/dbraw/zinc/42/25/83/969422583.db2.gz 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ZINC000064183899 205297134 /nfs/dbraw/zinc/29/71/34/205297134.db2.gz DVRRZNXJVJLSGZ-VZUCSPMQSA-N 0 0 366.417 2.970 50 10 FFCARN COc1ccc2c(c1)[nH]c1c2ncn(CCc2ccc(O)c(O)c2)c1=O ZINC000002147304 206152631 /nfs/dbraw/zinc/15/26/31/206152631.db2.gz JVRFXGXRBFCECJ-UHFFFAOYSA-N 0 0 351.362 2.540 50 10 biogenic FFCARN CCOC(=O)CCN1C(=O)/C(=C\c2ccccc2OC)SC1=S ZINC000005447266 206195840 /nfs/dbraw/zinc/19/58/40/206195840.db2.gz VQLVLTUGTJAVKO-JLHYYAGUSA-N 0 0 351.449 2.850 50 10 FFCARN COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCO ZINC000008657128 206215583 /nfs/dbraw/zinc/21/55/83/206215583.db2.gz DEUHTTNYBAOUPH-ATVHPVEESA-N 0 0 352.390 2.872 50 10 FFCARN O=S(=O)(NCCCSc1nccs1)C1=Cc2ccccc2OC1 ZINC000170608411 206273297 /nfs/dbraw/zinc/27/32/97/206273297.db2.gz ZOUGVRNRNJBSMP-UHFFFAOYSA-N 0 0 368.505 2.978 50 10 FFCARN Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1N1CCCCC1 ZINC000004674909 132387046 /nfs/dbraw/zinc/38/70/46/132387046.db2.gz PWAQRUWMVOJQAS-UHFFFAOYSA-N 0 0 357.479 2.584 50 10 FFCARN Cc1cccc(N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)c1 ZINC000019078718 132886615 /nfs/dbraw/zinc/88/66/15/132886615.db2.gz QYCGTQYPXHYMNU-UHFFFAOYSA-N 0 0 374.491 2.511 50 10 FFCARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Br)ccc1O ZINC000000820846 506235372 /nfs/dbraw/zinc/23/53/72/506235372.db2.gz OBFYRQCECCGVGB-CYBMUJFWSA-N 0 0 369.215 2.688 50 10 FFCARN CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(N(C)C)cc1 ZINC000000968978 506242652 /nfs/dbraw/zinc/24/26/52/506242652.db2.gz MTUSIMDRJZRGQW-INIZCTEOSA-N 0 0 359.451 2.576 50 10 FFCARN CC1=NN(c2ccccc2)C(=O)/C1=C\Nn1c(C)nc2ccccc2c1=O ZINC000005009634 506414736 /nfs/dbraw/zinc/41/47/36/506414736.db2.gz DYBDENPZSYODOV-ATVHPVEESA-N 0 0 359.389 2.555 50 10 FFCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000010906940 506758439 /nfs/dbraw/zinc/75/84/39/506758439.db2.gz LNUWRHSEHDXPRP-UHFFFAOYSA-N 0 0 354.406 2.524 50 10 FFCARN CCOc1ccc(Br)cc1/C=C1\SC(NC(C)=O)=NC1=O ZINC000013896530 506958820 /nfs/dbraw/zinc/95/88/20/506958820.db2.gz KCXHVOKMUUZOER-GHXNOFRVSA-N 0 0 369.240 2.954 50 10 FFCARN Oc1ccc(Br)cc1CN1CCN(Cc2ccccn2)CC1 ZINC000019362346 507167717 /nfs/dbraw/zinc/16/77/17/507167717.db2.gz CCTJVUQVVVHZMQ-UHFFFAOYSA-N 0 0 362.271 2.868 50 10 FFCARN N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(N3CCCC3)=NN21 ZINC000020356274 507218270 /nfs/dbraw/zinc/21/82/70/507218270.db2.gz PEBTXKQXKZTRQG-VOPKFQMRSA-N 0 0 364.434 2.840 50 10 FFCARN CCNC(=O)[C@@H]1Cc2ccccc2N2CCN(c3ccc(OC)cc3)C[C@@H]12 ZINC000169680238 509658475 /nfs/dbraw/zinc/65/84/75/509658475.db2.gz NHVCWYADGSCIPW-CTNGQTDRSA-N 0 0 365.477 2.699 50 10 FFCARN COc1ccc2c3c(n(CCCO)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604406013 520553714 /nfs/dbraw/zinc/55/37/14/520553714.db2.gz XTBACECEYLYIAG-UHFFFAOYSA-N 0 0 365.385 2.613 50 10 biogenic FFCARN COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O ZINC000102409913 570832245 /nfs/dbraw/zinc/83/22/45/570832245.db2.gz CQYCTLSWCZSZBJ-HMUYFDHHSA-N 0 0 370.312 2.582 50 10 FFCARN CC(C)(O)Cn1nc(COc2ccccc2)nc1Cc1ccc(N)cc1 ZINC000827558840 999504587 /nfs/dbraw/zinc/50/45/87/999504587.db2.gz NTTIRNDVOYKYOA-UHFFFAOYSA-N 0 0 352.438 2.801 50 10 FFCARN O=C1N=C(N2CCOCC2)S/C1=C/c1ccccc1OC(F)(F)F ZINC000096926591 203928636 /nfs/dbraw/zinc/92/86/36/203928636.db2.gz CVBQDYYKCNCTNF-FMIVXFBMSA-N 0 0 358.341 2.888 50 10 FFCARN COc1ccc(OC)c(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1 ZINC000004591442 204149315 /nfs/dbraw/zinc/14/93/15/204149315.db2.gz DDZRJXCPIMFGRW-GAAFXGMGSA-N 0 0 362.451 2.783 50 10 FFCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1CCCC1 ZINC000004263500 204129961 /nfs/dbraw/zinc/12/99/61/204129961.db2.gz QMRGZJMQPYDDLO-JLHYYAGUSA-N 0 0 350.465 2.930 50 10 FFCARN CCN(CC)c1ccc(NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 ZINC000005679217 204220591 /nfs/dbraw/zinc/22/05/91/204220591.db2.gz XYIZPLWNLUSLKH-UHFFFAOYSA-N 0 0 374.510 2.824 50 10 FFCARN CCc1ccc([C@H]2CC(=O)NC(NC(=O)c3cccc(OC)c3)=N2)cc1 ZINC000006817914 204274170 /nfs/dbraw/zinc/27/41/70/204274170.db2.gz HFXJWGXHIYDDQQ-QGZVFWFLSA-N 0 0 351.406 2.605 50 10 FFCARN COc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccccn2)SC1=S ZINC000008644162 204337922 /nfs/dbraw/zinc/33/79/22/204337922.db2.gz GKRSUDATVBWXRJ-UVTDQMKNSA-N 0 0 371.443 2.636 50 10 FFCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000010057305 204389953 /nfs/dbraw/zinc/38/99/53/204389953.db2.gz NHSVWBFNRKJNHW-ZDUSSCGKSA-N 0 0 366.870 2.664 50 10 FFCARN CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)CC1 ZINC000002390964 206154606 /nfs/dbraw/zinc/15/46/06/206154606.db2.gz BFNQQNTUNOZZEF-SFQUDFHCSA-N 0 0 357.479 2.944 50 10 FFCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000001242119 206146827 /nfs/dbraw/zinc/14/68/27/206146827.db2.gz NXEKOMDYPFZZOK-JYRVWZFOSA-N 0 0 351.449 2.848 50 10 FFCARN Cc1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000003460682 206161966 /nfs/dbraw/zinc/16/19/66/206161966.db2.gz WMWWKAAQAMSZIN-QGZVFWFLSA-N 0 0 356.422 2.546 50 10 FFCARN CN(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000007910136 206211041 /nfs/dbraw/zinc/21/10/41/206211041.db2.gz WCZLGFGHEKUHJR-UHFFFAOYSA-N 0 0 368.405 2.679 50 10 FFCARN CN1CCc2cc([C@H](CNC(=O)c3cccs3)N3CCOCC3)ccc21 ZINC000022733375 206394079 /nfs/dbraw/zinc/39/40/79/206394079.db2.gz UHEFJPGOCCUQPM-SFHVURJKSA-N 0 0 371.506 2.544 50 10 FFCARN Cc1ccccc1NC1=NC(=O)C(=Cc2ccc(OCC(N)=O)cc2)S1 ZINC000096924832 206542828 /nfs/dbraw/zinc/54/28/28/206542828.db2.gz LMAIFABKYVZBTK-YBEGLDIGSA-N 0 0 367.430 2.942 50 10 FFCARN COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)n1 ZINC000225724799 132286203 /nfs/dbraw/zinc/28/62/03/132286203.db2.gz WACWLLCDQLVTBN-UHFFFAOYSA-N 0 0 355.438 2.507 50 10 FFCARN Cc1cc(C)cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000048369182 136123642 /nfs/dbraw/zinc/12/36/42/136123642.db2.gz UVPYYKQCSBEKPL-GOSISDBHSA-N 0 0 365.477 2.935 50 10 FFCARN C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057550205 136129688 /nfs/dbraw/zinc/12/96/88/136129688.db2.gz BQBXGSURQXJRRP-ZDUSSCGKSA-N 0 0 357.479 2.565 50 10 FFCARN COC(=O)C1=CN(c2ccccc2OC)c2cc(F)ccc2S1(=O)=O ZINC000064979187 136134278 /nfs/dbraw/zinc/13/42/78/136134278.db2.gz SQSQNMOUQYUIDO-UHFFFAOYSA-N 0 0 363.366 2.774 50 10 FFCARN C[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000072115860 136142027 /nfs/dbraw/zinc/14/20/27/136142027.db2.gz WZBYNNOLYDWNGO-HNNXBMFYSA-N 0 0 358.413 2.919 50 10 FFCARN Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000000660042 506226038 /nfs/dbraw/zinc/22/60/38/506226038.db2.gz DQIXTYSKNFFUFV-UHFFFAOYSA-N 0 0 353.447 2.625 50 10 FFCARN COC(=O)CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001218744 506256164 /nfs/dbraw/zinc/25/61/64/506256164.db2.gz MTUVJJADOOYHNW-POHAHGRESA-N 0 0 372.265 2.823 50 10 FFCARN CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000032712267 506282413 /nfs/dbraw/zinc/28/24/13/506282413.db2.gz DNEPUBNACYQJSB-UHFFFAOYSA-N 0 0 360.479 2.866 50 10 FFCARN COc1ccc(N2CCN(C(=O)CSc3nc(C)cs3)CC2)cc1 ZINC000004894371 506402573 /nfs/dbraw/zinc/40/25/73/506402573.db2.gz XQHPABCXTZKFSM-UHFFFAOYSA-N 0 0 363.508 2.901 50 10 FFCARN C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O ZINC000012533777 506871416 /nfs/dbraw/zinc/87/14/16/506871416.db2.gz BJCRSFJXVPFYMI-FOIQADDNSA-N 0 0 358.486 2.643 50 10 FFCARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(O)c1O ZINC000012645942 506886970 /nfs/dbraw/zinc/88/69/70/506886970.db2.gz FMOKVXONTJYLKZ-DJJJIMSYSA-N 0 0 370.405 2.852 50 10 FFCARN COc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000013669756 506949911 /nfs/dbraw/zinc/94/99/11/506949911.db2.gz HIAUVIZHCJFBRC-MRXNPFEDSA-N 0 0 370.449 2.616 50 10 FFCARN COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccncc2)C1=O ZINC000013803549 506957466 /nfs/dbraw/zinc/95/74/66/506957466.db2.gz ATYNLKPQXGQLRQ-UVTDQMKNSA-N 0 0 371.443 2.636 50 10 FFCARN CCOc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(C)cc3)=N2)cc1 ZINC000020530845 507225688 /nfs/dbraw/zinc/22/56/88/507225688.db2.gz GUIANHHTHGXSKX-KRWDZBQOSA-N 0 0 351.406 2.741 50 10 FFCARN Cc1nc(NCc2ccc(N3CCNC(=O)C3)cc2)nc(C)c1CC(C)C ZINC000080225700 508054148 /nfs/dbraw/zinc/05/41/48/508054148.db2.gz OMTDCTARPBNSLK-UHFFFAOYSA-N 0 0 367.497 2.840 50 10 FFCARN CCN(CC)c1ccc(C=c2sc3nc(-c4ccco4)nn3c2=O)cc1 ZINC000254340957 509905971 /nfs/dbraw/zinc/90/59/71/509905971.db2.gz NGQRMDHCLHTKLI-UHFFFAOYSA-N 0 0 366.446 2.805 50 10 FFCARN COc1ccc2c3c(n(C[C@@H](C)O)c(=O)c2c1OC)-c1ccccc1C3=O ZINC000604404077 520553378 /nfs/dbraw/zinc/55/33/78/520553378.db2.gz BQSHECATVSRROK-LLVKDONJSA-N 0 0 365.385 2.611 50 10 biogenic FFCARN CCNC(=O)c1cccc(CN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000034684234 535440786 /nfs/dbraw/zinc/44/07/86/535440786.db2.gz AVNLFCMEAJRHFS-UHFFFAOYSA-N 0 0 353.466 2.767 50 10 biogenic FFCARN CC1CCN(C(=O)c2c(-c3cncnc3)cc(=O)n3c2CCCC3)CC1 ZINC000581799731 999945454 /nfs/dbraw/zinc/94/54/54/999945454.db2.gz PNWYGYGQCZPUDF-UHFFFAOYSA-N 0 0 352.438 2.514 50 10 FFCARN Cc1cccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)c1 ZINC000002394857 204038191 /nfs/dbraw/zinc/03/81/91/204038191.db2.gz TXZHVSREXQGPCG-ATVHPVEESA-N 0 0 362.458 2.740 50 10 FFCARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 ZINC000003124923 204079953 /nfs/dbraw/zinc/07/99/53/204079953.db2.gz APXAQZWWOAYMAR-UHFFFAOYSA-N 0 0 373.184 2.864 50 10 FFCARN COc1ccc(Br)cc1/C=C1\SC(NC(C)=O)=NC1=O ZINC000006022460 204234569 /nfs/dbraw/zinc/23/45/69/204234569.db2.gz PSPIUECMSHTIAV-WDZFZDKYSA-N 0 0 355.213 2.564 50 10 FFCARN Cc1cc(C(=O)NCCN2C(=O)CSC2=O)c(C)n1-c1ccccc1 ZINC000047421653 205146252 /nfs/dbraw/zinc/14/62/52/205146252.db2.gz UUNRSKKWVZLFEA-UHFFFAOYSA-N 0 0 357.435 2.519 50 10 FFCARN Cc1noc(C)c1CN1CCN(C(=O)/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000058277322 205268307 /nfs/dbraw/zinc/26/83/07/205268307.db2.gz HNFVFGCWPSJBAU-JXMROGBWSA-N 0 0 368.481 2.715 50 10 FFCARN Cc1csc([C@@](O)(CC(=O)N(C)Cc2ccccc2O)C(F)(F)F)n1 ZINC000058304614 205270160 /nfs/dbraw/zinc/27/01/60/205270160.db2.gz DDZXXEWWCGPEEV-HNNXBMFYSA-N 0 0 374.384 2.956 50 10 FFCARN CNC(=O)C1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000063259521 205292205 /nfs/dbraw/zinc/29/22/05/205292205.db2.gz XJMZDLRGQXTIGD-UHFFFAOYSA-N 0 0 354.454 2.524 50 10 FFCARN CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S ZINC000005214248 206191513 /nfs/dbraw/zinc/19/15/13/206191513.db2.gz HLQAKKHIUSBBNN-UKTHLTGXSA-N 0 0 351.449 2.850 50 10 FFCARN CCNC(=O)[C@@H]1Cc2ccccc2N2CCN(c3ccc(OC)cc3)C[C@H]12 ZINC000096456544 132225109 /nfs/dbraw/zinc/22/51/09/132225109.db2.gz NHVCWYADGSCIPW-TZIWHRDSSA-N 0 0 365.477 2.699 50 10 FFCARN Cc1cc(C)cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000048369180 136123625 /nfs/dbraw/zinc/12/36/25/136123625.db2.gz UVPYYKQCSBEKPL-SFHVURJKSA-N 0 0 365.477 2.935 50 10 FFCARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 ZINC000000842748 506234849 /nfs/dbraw/zinc/23/48/49/506234849.db2.gz ITUAUOLTXIFJCM-UHFFFAOYSA-N 0 0 357.347 2.918 50 10 FFCARN CCC(=O)Oc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004865947 506400705 /nfs/dbraw/zinc/40/07/05/506400705.db2.gz DZTKTQLUEAKEKX-UHFFFAOYSA-N 0 0 368.433 2.973 50 10 FFCARN O=C(Cn1ccnc1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O ZINC000010809356 506754478 /nfs/dbraw/zinc/75/44/78/506754478.db2.gz SUGVQUQPOSXCGZ-UHFFFAOYSA-N 0 0 365.776 2.951 50 10 FFCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000013562188 506945182 /nfs/dbraw/zinc/94/51/82/506945182.db2.gz SDCSVFBCYXRDHD-BZPKPHBRSA-N 0 0 373.908 2.728 50 10 FFCARN Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000014009081 506960001 /nfs/dbraw/zinc/96/00/01/506960001.db2.gz DOBKCUFNORKXIA-RIYZIHGNSA-N 0 0 373.459 2.775 50 10 FFCARN CN(Cc1nnc(-c2ccco2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571714 507047818 /nfs/dbraw/zinc/04/78/18/507047818.db2.gz UCPRXGHOBHLUMG-UHFFFAOYSA-N 0 0 354.410 2.798 50 10 FFCARN CN1CCCc2cc([C@@H](CNC(=O)CC(C)(C)C)N3CCOCC3)ccc21 ZINC000016838347 507107081 /nfs/dbraw/zinc/10/70/81/507107081.db2.gz SJQUYMNFKPYVKY-HXUWFJFHSA-N 0 0 373.541 2.995 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)CCNC(=O)Nc2ccccc2)cc1 ZINC000028318303 507719211 /nfs/dbraw/zinc/71/92/11/507719211.db2.gz NQIHEAFIGYQAPD-UHFFFAOYSA-N 0 0 354.454 2.923 50 10 FFCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCN1CCOCC1 ZINC000028711262 507739135 /nfs/dbraw/zinc/73/91/35/507739135.db2.gz XEZZRJPPIDWCHW-UHFFFAOYSA-N 0 0 374.440 2.935 50 10 biogenic FFCARN CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1cccc([N+](=O)[O-])c1)O2 ZINC000136710131 508711443 /nfs/dbraw/zinc/71/14/43/508711443.db2.gz IAGWJPOMLYEFDO-PDLPPMLWSA-N 0 0 365.349 2.960 50 10 FFCARN CCN(CC)c1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1 ZINC000254492621 509907259 /nfs/dbraw/zinc/90/72/59/509907259.db2.gz GMZVGIFKARLICM-UHFFFAOYSA-N 0 0 358.507 2.507 50 10 FFCARN COc1ccc(N2CCN(C(=O)CCCc3cn[nH]c3)CC2(C)C)cc1 ZINC000077437543 536678553 /nfs/dbraw/zinc/67/85/53/536678553.db2.gz HNRHLPKXBGDWMV-UHFFFAOYSA-N 0 0 356.470 2.868 50 10 FFCARN COc1ccc(OC)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000048332236 536826663 /nfs/dbraw/zinc/82/66/63/536826663.db2.gz RGDLBXBZPJXHIA-UHFFFAOYSA-N 0 0 370.449 2.813 50 10 FFCARN CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000083865586 571055310 /nfs/dbraw/zinc/05/53/10/571055310.db2.gz XBIRDQLVDBEGFX-MRXNPFEDSA-N 0 0 356.447 2.566 50 10 FFCARN COc1ccc(-n2nnnc2CNC(=O)c2cccc3ccccc32)cc1 ZINC000009570381 203965723 /nfs/dbraw/zinc/96/57/23/203965723.db2.gz GQWWARVRCOGWNY-UHFFFAOYSA-N 0 0 359.389 2.754 50 10 FFCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000001877045 204021181 /nfs/dbraw/zinc/02/11/81/204021181.db2.gz SRDXGVNVXNBJCA-XYOKQWHBSA-N 0 0 353.787 2.551 50 10 FFCARN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000002281216 204031690 /nfs/dbraw/zinc/03/16/90/204031690.db2.gz HFRUAQJOKOCVMY-WBOGTDJTSA-N 0 0 373.908 2.728 50 10 FFCARN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCC(C)C ZINC000003322960 204090824 /nfs/dbraw/zinc/09/08/24/204090824.db2.gz NMQZFHPUHZNGQK-UHFFFAOYSA-N 0 0 360.410 2.554 50 10 FFCARN Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccccc1 ZINC000003567958 204107450 /nfs/dbraw/zinc/10/74/50/204107450.db2.gz HDODESGEXWMIEV-UHFFFAOYSA-N 0 0 350.378 2.506 50 10 FFCARN COCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S ZINC000004832763 204168205 /nfs/dbraw/zinc/16/82/05/204168205.db2.gz BNEUBBVGULIBJG-GXDHUFHOSA-N 0 0 353.465 2.942 50 10 FFCARN COc1cccc(C(=O)NN2C(=O)/C(=C\c3cccnc3)SC2=S)c1 ZINC000005656864 204219394 /nfs/dbraw/zinc/21/93/94/204219394.db2.gz HWLHRQIBKAMQQC-RIYZIHGNSA-N 0 0 371.443 2.636 50 10 FFCARN COc1cccc(-n2cnnc2SCC(=O)c2ccc(O)c(O)c2)c1 ZINC000005895446 204230105 /nfs/dbraw/zinc/23/01/05/204230105.db2.gz XGMOJQNGXJNWFB-UHFFFAOYSA-N 0 0 357.391 2.662 50 10 FFCARN COc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(Cl)cc3)=N2)cc1 ZINC000006817812 204273596 /nfs/dbraw/zinc/27/35/96/204273596.db2.gz BTRPMKNVOQTIHZ-OAHLLOKOSA-N 0 0 357.797 2.696 50 10 FFCARN Cc1cc(C(=O)NCc2cccnc2-n2cncn2)c(C)n1-c1ccccc1 ZINC000058227114 205264826 /nfs/dbraw/zinc/26/48/26/205264826.db2.gz KVSICGDUDSOOAZ-UHFFFAOYSA-N 0 0 372.432 3.000 50 10 FFCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nccs1 ZINC000004263509 206170269 /nfs/dbraw/zinc/17/02/69/206170269.db2.gz QLTDSWVCDLRSCT-CSKARUKUSA-N 0 0 365.461 2.966 50 10 FFCARN COc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000004990818 206239630 /nfs/dbraw/zinc/23/96/30/206239630.db2.gz FYXDGJBGGPRQKO-UHFFFAOYSA-N 0 0 358.759 2.763 50 10 FFCARN COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(O)c(OC)c1 ZINC000022135392 206368026 /nfs/dbraw/zinc/36/80/26/206368026.db2.gz PLAXZVIOUVRYKN-DHDCSXOGSA-N 0 0 369.373 2.867 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3ccc4nonc4c3)CC2(C)C)cc1 ZINC000091713007 132203397 /nfs/dbraw/zinc/20/33/97/132203397.db2.gz BKEQAFRDVQKOEW-UHFFFAOYSA-N 0 0 366.421 2.972 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)CCN2c3ccccc3OCC2=O)cc1 ZINC000018150606 132885914 /nfs/dbraw/zinc/88/59/14/132885914.db2.gz ZVJRLAZJYYRUEB-UHFFFAOYSA-N 0 0 367.449 2.527 50 10 FFCARN COc1ccc(N2CCN([C@H](C)C(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000066313679 136136815 /nfs/dbraw/zinc/13/68/15/136136815.db2.gz CLLPEWCYNDXSJT-QGZVFWFLSA-N 0 0 359.514 2.997 50 10 FFCARN CCN1C(=O)/C(=C/c2c(NC(C)C)nc3ccccn3c2=O)SC1=S ZINC000001302256 506258824 /nfs/dbraw/zinc/25/88/24/506258824.db2.gz OWXSBDVBKXYSDO-XFXZXTDPSA-N 0 0 374.491 2.736 50 10 FFCARN CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccccc3C)cc2)CC1 ZINC000032956455 506318234 /nfs/dbraw/zinc/31/82/34/506318234.db2.gz GLPMCHSTMOFWKD-UHFFFAOYSA-N 0 0 367.449 2.681 50 10 FFCARN CCOC(=O)N1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000004167853 506363744 /nfs/dbraw/zinc/36/37/44/506363744.db2.gz DPWUWXBEVYEROQ-UHFFFAOYSA-N 0 0 364.401 2.741 50 10 FFCARN COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc1 ZINC000005210020 506428483 /nfs/dbraw/zinc/42/84/83/506428483.db2.gz OTGBGBAZOCSSEE-UHFFFAOYSA-N 0 0 364.449 2.853 50 10 FFCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 ZINC000012420259 506862537 /nfs/dbraw/zinc/86/25/37/506862537.db2.gz DHQPCIWJIMCPJK-UVTDQMKNSA-N 0 0 371.443 2.636 50 10 FFCARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(O)c1O ZINC000012645951 506888169 /nfs/dbraw/zinc/88/81/69/506888169.db2.gz FMOKVXONTJYLKZ-YJYMSZOUSA-N 0 0 370.405 2.852 50 10 FFCARN CC(=O)N1N=C(c2ccccc2O)O[C@]1(C)CC(=O)Nc1ccccc1 ZINC000013108140 506929307 /nfs/dbraw/zinc/92/93/07/506929307.db2.gz GRXLCSNHHPZVSK-LJQANCHMSA-N 0 0 353.378 2.678 50 10 FFCARN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000013424022 506941815 /nfs/dbraw/zinc/94/18/15/506941815.db2.gz HFRUAQJOKOCVMY-ZWIPKHHJSA-N 0 0 373.908 2.728 50 10 FFCARN O=C(COc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000013645989 506949478 /nfs/dbraw/zinc/94/94/78/506949478.db2.gz YLHHCSZBUISAEB-UHFFFAOYSA-N 0 0 360.841 2.872 50 10 FFCARN COc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)CO2 ZINC000015821007 507060765 /nfs/dbraw/zinc/06/07/65/507060765.db2.gz AUWWYNQGPFURMH-MRXNPFEDSA-N 0 0 355.438 2.564 50 10 FFCARN O=C(NN1C(=O)/C(=C/c2ccccc2F)SC1=S)c1ccncc1 ZINC000016741215 507105483 /nfs/dbraw/zinc/10/54/83/507105483.db2.gz YSVZISFXTBKGQQ-LCYFTJDESA-N 0 0 359.407 2.767 50 10 FFCARN CCOC(CC)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CC(=O)OC ZINC000019894230 507204717 /nfs/dbraw/zinc/20/47/17/507204717.db2.gz SYDZQHZCTOPERW-JQIJEIRASA-N 0 0 361.354 2.561 50 10 FFCARN COc1ccc(/C=C2\C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 ZINC000020356458 507217595 /nfs/dbraw/zinc/21/75/95/507217595.db2.gz AYNJKFDKMIKRPV-PCKMFZADSA-N 0 0 369.450 2.758 50 10 FFCARN COc1ccc(CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1F ZINC000021704956 507264996 /nfs/dbraw/zinc/26/49/96/507264996.db2.gz IJKLNEUNQCJNNK-UHFFFAOYSA-N 0 0 374.412 2.586 50 10 FFCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Br)cs1 ZINC000096891457 508216076 /nfs/dbraw/zinc/21/60/76/508216076.db2.gz LSLBJVHWUYAZAT-UXBLZVDNSA-N 0 0 359.270 2.813 50 10 FFCARN Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccc(Br)cc1 ZINC000097204485 508221354 /nfs/dbraw/zinc/22/13/54/508221354.db2.gz LNBOCGZUVHEAFL-JTQLQIEISA-N 0 0 351.244 2.967 50 10 FFCARN COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000055062723 536695513 /nfs/dbraw/zinc/69/55/13/536695513.db2.gz RQZIEAXNLQXHGT-UHFFFAOYSA-N 0 0 360.845 2.504 50 10 FFCARN CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000083865585 571055293 /nfs/dbraw/zinc/05/52/93/571055293.db2.gz XBIRDQLVDBEGFX-INIZCTEOSA-N 0 0 356.447 2.566 50 10 FFCARN CN(C)c1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000005285577 204200638 /nfs/dbraw/zinc/20/06/38/204200638.db2.gz JZTDZMHBQGTOOS-HWKANZROSA-N 0 0 354.288 2.933 50 10 FFCARN Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000009090057 204354272 /nfs/dbraw/zinc/35/42/72/204354272.db2.gz DQJMMOQRQNVZOF-NTEUORMPSA-N 0 0 354.435 2.894 50 10 FFCARN CC(NCCCOC(C)C)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000009356316 204364609 /nfs/dbraw/zinc/36/46/09/204364609.db2.gz ITWASCOYZIEOLP-LGMDPLHJSA-N 0 0 360.414 2.996 50 10 FFCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccn1 ZINC000009444395 204367780 /nfs/dbraw/zinc/36/77/80/204367780.db2.gz KOTRLVLSXZVGSM-ZRDIBKRKSA-N 0 0 359.432 2.905 50 10 FFCARN COc1ccc(N(CCC(N)=O)Cc2nc(-c3ccccc3)no2)cc1 ZINC000008726846 204341540 /nfs/dbraw/zinc/34/15/40/204341540.db2.gz QEWLBUJYXQRMIQ-UHFFFAOYSA-N 0 0 352.394 2.627 50 10 FFCARN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000010057304 204389870 /nfs/dbraw/zinc/38/98/70/204389870.db2.gz NHSVWBFNRKJNHW-CYBMUJFWSA-N 0 0 366.870 2.664 50 10 FFCARN Cn1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c2ccccc21 ZINC000012492122 204467598 /nfs/dbraw/zinc/46/75/98/204467598.db2.gz ZRUQOSUAFXQQHG-GDNBJRDFSA-N 0 0 359.476 2.627 50 10 FFCARN CCN1C(=O)/C(=C/c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S ZINC000083259518 205103464 /nfs/dbraw/zinc/10/34/64/205103464.db2.gz XKSARUVSMSPZFE-JYRVWZFOSA-N 0 0 367.448 2.850 50 10 FFCARN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000058224551 205264118 /nfs/dbraw/zinc/26/41/18/205264118.db2.gz XOQGIMMBJKMILE-ZDUSSCGKSA-N 0 0 374.514 2.603 50 10 FFCARN CCOC(=O)CN1C(=O)/C(=C/c2ccccc2OCC)SC1=S ZINC000001277104 206146604 /nfs/dbraw/zinc/14/66/04/206146604.db2.gz AOCPSJJQYVWGCK-LCYFTJDESA-N 0 0 351.449 2.850 50 10 FFCARN CCCOC(=O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001809406 206151605 /nfs/dbraw/zinc/15/16/05/206151605.db2.gz 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ZINC000035960572 506392191 /nfs/dbraw/zinc/39/21/91/506392191.db2.gz LEEMTDBBCDMYAH-GOSISDBHSA-N 0 0 352.438 2.571 50 10 FFCARN COC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000010906329 506757822 /nfs/dbraw/zinc/75/78/22/506757822.db2.gz TWGCZLWZKUQCFW-UHFFFAOYSA-N 0 0 368.433 2.582 50 10 FFCARN CC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000012634193 506887405 /nfs/dbraw/zinc/88/74/05/506887405.db2.gz BCDRWDMRMZXGPD-UHFFFAOYSA-N 0 0 353.466 2.749 50 10 FFCARN COc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000013424026 506941402 /nfs/dbraw/zinc/94/14/02/506941402.db2.gz OGLXPHHKRQZXID-GGTJGZGTSA-N 0 0 362.451 2.783 50 10 FFCARN COc1ccc(CNC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 ZINC000100359757 508239318 /nfs/dbraw/zinc/23/93/18/508239318.db2.gz SAAUFNFGJRBZER-LDADJPATSA-N 0 0 366.377 3.000 50 10 FFCARN O=C1C(=CNCCO)C(c2ccccc2)=NN1c1nc2ccccc2s1 ZINC000100431880 508239324 /nfs/dbraw/zinc/23/93/24/508239324.db2.gz QQRYIENSJJKKCM-WYMLVPIESA-N 0 0 364.430 2.513 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536695388 /nfs/dbraw/zinc/69/53/88/536695388.db2.gz LUQTVROGIOLYKE-QGZVFWFLSA-N 0 0 353.466 2.695 50 10 FFCARN CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000100488060 570561898 /nfs/dbraw/zinc/56/18/98/570561898.db2.gz FARYOKAWTPICDA-HYZSBJHASA-N 0 0 367.430 2.696 50 10 FFCARN COC(=O)/C=C/c1ccc(NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC000095407823 1028592445 /nfs/dbraw/zinc/59/24/45/1028592445.db2.gz KEEUWELWMNJYAF-QPJJXVBHSA-N 0 0 358.350 2.847 50 10 FFCARN CCN1C(=O)C(=Cc2cc(Br)c(OC)cc2OC)NC1=S ZINC000001163640 219384108 /nfs/dbraw/zinc/38/41/08/219384108.db2.gz AKRDGQUAPXDRIO-POHAHGRESA-N 0 0 371.256 2.544 50 10 FFCARN CCN(CC)C(=O)CN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000002638888 209394817 /nfs/dbraw/zinc/39/48/17/209394817.db2.gz GLAAXOKSMDZJGT-UVTDQMKNSA-N 0 0 364.492 2.765 50 10 FFCARN Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000001209962 206868750 /nfs/dbraw/zinc/86/87/50/206868750.db2.gz ZFIIMFBWPFOYHH-UVTDQMKNSA-N 0 0 355.444 2.936 50 10 FFCARN CN(C)c1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1 ZINC000004663365 207035563 /nfs/dbraw/zinc/03/55/63/207035563.db2.gz SNWIHACHEDRURQ-KNTRCKAVSA-N 0 0 351.450 2.925 50 10 FFCARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 ZINC000004672179 207036469 /nfs/dbraw/zinc/03/64/69/207036469.db2.gz WDNSXFWPCSJSKK-UHFFFAOYSA-N 0 0 369.333 2.597 50 10 FFCARN CC(=O)N1[C@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccccc1O ZINC000004699319 207039186 /nfs/dbraw/zinc/03/91/86/207039186.db2.gz GWZCUKQLWFSFPP-QFBILLFUSA-N 0 0 356.447 2.671 50 10 FFCARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)c1 ZINC000004973907 207068153 /nfs/dbraw/zinc/06/81/53/207068153.db2.gz DEGBGGINHXTVNO-UHFFFAOYSA-N 0 0 373.184 2.864 50 10 FFCARN Cc1cc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)no1 ZINC000005544128 207105390 /nfs/dbraw/zinc/10/53/90/207105390.db2.gz YMAGQMNLWLNKDN-UXBLZVDNSA-N 0 0 365.461 2.884 50 10 FFCARN CCCN1CCN(C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)CC1 ZINC000006538719 207144950 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506384788 /nfs/dbraw/zinc/38/47/88/506384788.db2.gz NSABMPBLNKIJAY-PTNGSMBKSA-N 0 0 360.435 2.638 50 10 FFCARN CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C(=O)NC1=S ZINC000005144124 506423797 /nfs/dbraw/zinc/42/37/97/506423797.db2.gz SUYJUDOAPHGQEX-SSZFMOIBSA-N 0 0 357.479 2.714 50 10 FFCARN COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000005123932 506424530 /nfs/dbraw/zinc/42/45/30/506424530.db2.gz NFDRFDOLQXWFSE-YBEGLDIGSA-N 0 0 366.373 2.994 50 10 FFCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000010906761 506758809 /nfs/dbraw/zinc/75/88/09/506758809.db2.gz FTHHRXBBBAJUCJ-UHFFFAOYSA-N 0 0 355.394 2.704 50 10 FFCARN CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCC2)C1=O ZINC000023854937 507375643 /nfs/dbraw/zinc/37/56/43/507375643.db2.gz NRYZULSQALMETN-UHFFFAOYSA-N 0 0 370.497 2.931 50 10 FFCARN CCc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 ZINC000026687250 507601890 /nfs/dbraw/zinc/60/18/90/507601890.db2.gz MAKMYOFOHUCGCB-CKXDQPNJSA-N 0 0 367.517 2.637 50 10 FFCARN Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 ZINC000027229482 507640931 /nfs/dbraw/zinc/64/09/31/507640931.db2.gz CAPJZBRXIXDIIY-GXDHUFHOSA-N 0 0 357.460 2.880 50 10 FFCARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 ZINC000079192506 507941993 /nfs/dbraw/zinc/94/19/93/507941993.db2.gz PKZNSRKLSOZQBD-YJBOKZPZSA-N 0 0 368.341 2.660 50 10 biogenic FFCARN O=C(c1cccc(O)c1O)N1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000077524372 508327564 /nfs/dbraw/zinc/32/75/64/508327564.db2.gz CELAFUHSAYQDRU-GOSISDBHSA-N 0 0 355.434 2.944 50 10 FFCARN CC1=Nc2ccccc2C1=CN=NC(=O)CN1N=CN2NC(C)=CC(=O)C21 ZINC000334159115 511466543 /nfs/dbraw/zinc/46/65/43/511466543.db2.gz OQXBSOZORQLDDN-PQNHFCOQSA-N 0 0 363.381 2.822 50 10 FFCARN O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)Nc1ccon1 ZINC000368221917 512852883 /nfs/dbraw/zinc/85/28/83/512852883.db2.gz OMBUMQCFZYYYJL-LLVKDONJSA-N 0 0 370.331 2.643 50 10 FFCARN CN(C)c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000040057743 522127275 /nfs/dbraw/zinc/12/72/75/522127275.db2.gz JAWAHVGZRZPIEV-VMPITWQZSA-N 0 0 367.449 2.780 50 10 FFCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)cc1 ZINC000004412560 536700040 /nfs/dbraw/zinc/70/00/40/536700040.db2.gz ANYXEZLIOPHZGK-UHFFFAOYSA-N 0 0 364.442 2.654 50 10 FFCARN COc1ccc(/C=C2\N=C(n3cncn3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000085421503 571114790 /nfs/dbraw/zinc/11/47/90/571114790.db2.gz AKGFYRPTEPOOFR-WQRHYEAKSA-N 0 0 359.389 2.887 50 10 FFCARN Nc1ccc(CC(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000952985363 1011039948 /nfs/dbraw/zinc/03/99/48/1011039948.db2.gz BEKKBTLPIRTZSF-HXUWFJFHSA-N 0 0 354.450 2.898 50 10 FFCARN CC1(C)OC(=O)C(C=Nc2nc(-c3ccc4c(c3)OCO4)cs2)C(=O)O1 ZINC000023127152 211378041 /nfs/dbraw/zinc/37/80/41/211378041.db2.gz IXWMCCCBPRXDGW-UHFFFAOYSA-N 0 0 374.374 2.671 50 10 FFCARN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000022664790 211359543 /nfs/dbraw/zinc/35/95/43/211359543.db2.gz LNKOIQZXLNUDNC-FQEVSTJZSA-N 0 0 371.456 2.695 50 10 FFCARN CCOc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2ccccc2F)=N1 ZINC000020924811 211301282 /nfs/dbraw/zinc/30/12/82/211301282.db2.gz ZPIZGBOUMGNFIS-HNNXBMFYSA-N 0 0 355.369 2.571 50 10 FFCARN CN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CCO)SC1=S ZINC000001513171 210357715 /nfs/dbraw/zinc/35/77/15/210357715.db2.gz ISOQTGGLZRHFQU-VOFKWTQNSA-N 0 0 350.490 2.806 50 10 FFCARN COC(=O)CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000001297733 210341404 /nfs/dbraw/zinc/34/14/04/210341404.db2.gz TZOFZQLQTZQGTO-JLHYYAGUSA-N 0 0 350.465 2.517 50 10 FFCARN CN1C(=O)C(=Cc2ccccc2OCc2ccccc2)C(=O)N(C)C1=O ZINC000000993999 210300402 /nfs/dbraw/zinc/30/04/02/210300402.db2.gz SHVOCLWTNHXRCS-UHFFFAOYSA-N 0 0 350.374 2.699 50 10 FFCARN CCOc1ccc(/C=C2\SC(=S)N(CN3CCOCC3)C2=O)cc1 ZINC000033321998 220730801 /nfs/dbraw/zinc/73/08/01/220730801.db2.gz FGOZRXXXHYBAHC-PTNGSMBKSA-N 0 0 364.492 2.576 50 10 FFCARN CCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000065169779 221174805 /nfs/dbraw/zinc/17/48/05/221174805.db2.gz IARVUNCBCXFJLK-OAQYLSRUSA-N 0 0 365.477 2.905 50 10 FFCARN O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1cccnc1 ZINC000006719316 132258801 /nfs/dbraw/zinc/25/88/01/132258801.db2.gz RJUYUUTVKRLZPD-GHRIWEEISA-N 0 0 350.447 2.874 50 10 FFCARN Cc1cc(-n2cncn2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173200626 132265678 /nfs/dbraw/zinc/26/56/78/132265678.db2.gz LDPDOXJDIHUSHQ-UHFFFAOYSA-N 0 0 363.421 2.681 50 10 FFCARN COc1ccc(N2CCN([C@H](CNC(=O)C3CC3)c3ccco3)CC2)cc1 ZINC000056946118 136127994 /nfs/dbraw/zinc/12/79/94/136127994.db2.gz CFGQOWLQBPVJTQ-LJQANCHMSA-N 0 0 369.465 2.678 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3ccc4[nH]c(C)nc4c3)CC2)cc1 ZINC000079484203 136151037 /nfs/dbraw/zinc/15/10/37/136151037.db2.gz CEHGHDSJTXSRLN-UHFFFAOYSA-N 0 0 350.422 2.842 50 10 FFCARN CCOC(=O)c1n[nH]cc1C=C1CCn2c1nc1sc(C)c(C)c1c2=O ZINC000098056532 222224047 /nfs/dbraw/zinc/22/40/47/222224047.db2.gz PDANSOHCDUSZHV-YRNVUSSQSA-N 0 0 370.434 2.919 50 10 FFCARN CN(C)c1ccc(/C=C(\C(=O)NCc2ccncc2)n2ccccc2=O)cc1 ZINC000004560344 506382470 /nfs/dbraw/zinc/38/24/70/506382470.db2.gz KIVIXYSAGQKWOJ-HMMYKYKNSA-N 0 0 374.444 2.624 50 10 FFCARN CSC1=NSC2=NC(=O)/C(=C/c3coc4ccccc4c3=O)C(=N)N12 ZINC000005341868 506436563 /nfs/dbraw/zinc/43/65/63/506436563.db2.gz AMBSMJGRIPOLHJ-RBKZQELPSA-N 0 0 370.415 2.733 50 10 FFCARN CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000005902150 506461854 /nfs/dbraw/zinc/46/18/54/506461854.db2.gz OIUQJVXWKRBEHP-PDLPPMLWSA-N 0 0 365.349 2.960 50 10 FFCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N(C)Cc1ccccc1 ZINC000008764316 506667789 /nfs/dbraw/zinc/66/77/89/506667789.db2.gz LEMOLXHDCRSYRS-UHFFFAOYSA-N 0 0 353.374 2.714 50 10 biogenic FFCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000009170833 506684928 /nfs/dbraw/zinc/68/49/28/506684928.db2.gz WQEIAMDHOYATLU-UHFFFAOYSA-N 0 0 364.835 2.999 50 10 FFCARN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000010113453 506728938 /nfs/dbraw/zinc/72/89/38/506728938.db2.gz XXCZARNAKFGAER-OAHLLOKOSA-N 0 0 358.413 2.746 50 10 FFCARN CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000010112177 506728946 /nfs/dbraw/zinc/72/89/46/506728946.db2.gz DIUFKQMMBPBSSH-UHFFFAOYSA-N 0 0 373.478 2.588 50 10 FFCARN Cc1csc(=O)n1CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000011085485 506764904 /nfs/dbraw/zinc/76/49/04/506764904.db2.gz XVEBXIISGDDORL-UHFFFAOYSA-N 0 0 369.490 2.985 50 10 FFCARN O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000048356606 507506338 /nfs/dbraw/zinc/50/63/38/507506338.db2.gz HYYUUCXQHJEUHE-UHFFFAOYSA-N 0 0 364.511 2.651 50 10 FFCARN O=C(CN1C(=O)CSC1=S)N1CCS[C@@H](c2ccccc2)CC1 ZINC000206988555 509238738 /nfs/dbraw/zinc/23/87/38/509238738.db2.gz BKKFHEOKYPOAJE-CYBMUJFWSA-N 0 0 366.533 2.554 50 10 FFCARN Cc1c2cc(F)ccc2n(C)c1C(=O)NCc1nnnn1-c1ccccc1 ZINC000426537727 513974609 /nfs/dbraw/zinc/97/46/09/513974609.db2.gz QBOUMBKAWBVCRU-UHFFFAOYSA-N 0 0 364.384 2.532 50 10 FFCARN CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)N2CCOCC2)cc1 ZINC000020603995 522247860 /nfs/dbraw/zinc/24/78/60/522247860.db2.gz MPTYLARFBKZWLI-FQEVSTJZSA-N 0 0 359.514 2.822 50 10 FFCARN COc1ccc(N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)cc1 ZINC000058163990 536699887 /nfs/dbraw/zinc/69/98/87/536699887.db2.gz BVZKKNHTMSHACB-KRWDZBQOSA-N 0 0 353.466 2.869 50 10 FFCARN O=C(NCC1CCCCC1)c1c(-c2cncnc2)cc(=O)n2c1CCCC2 ZINC000581799824 999945423 /nfs/dbraw/zinc/94/54/23/999945423.db2.gz ZZMIXVUXQNONSA-UHFFFAOYSA-N 0 0 366.465 2.952 50 10 FFCARN O=C(c1ccccc1F)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000581789158 999946011 /nfs/dbraw/zinc/94/60/11/999946011.db2.gz OUXRUKXAIFKIML-UHFFFAOYSA-N 0 0 356.397 2.697 50 10 FFCARN COCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S ZINC000096930819 210240640 /nfs/dbraw/zinc/24/06/40/210240640.db2.gz QNVZCDVNLXDZBB-RAXLEYEMSA-N 0 0 351.449 2.711 50 10 FFCARN COC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000012961072 220046600 /nfs/dbraw/zinc/04/66/00/220046600.db2.gz YHBLQKUCAYAHRQ-ZROIWOOFSA-N 0 0 371.418 2.698 50 10 FFCARN Cn1c(-c2ccccc2)cnc1SCCCN1C(=O)NC(C)(C)C1=O ZINC000040089678 211721741 /nfs/dbraw/zinc/72/17/41/211721741.db2.gz SYKIJRHIZLWRMH-UHFFFAOYSA-N 0 0 358.467 2.900 50 10 FFCARN COCCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C ZINC000016212429 211156646 /nfs/dbraw/zinc/15/66/46/211156646.db2.gz WYMIHWSQJMDRDB-WOJGMQOQSA-N 0 0 371.412 2.983 50 10 FFCARN Cc1ccc2ccccc2c1CN(/N=N/c1nonc1N)c1nonc1N ZINC000008935228 210809937 /nfs/dbraw/zinc/80/99/37/210809937.db2.gz NUBWKCBLDBMBJP-LYBHJNIJSA-N 0 0 365.357 2.784 50 10 FFCARN Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000042123795 220935202 /nfs/dbraw/zinc/93/52/02/220935202.db2.gz PTZQUFHIPADLQV-SFHVURJKSA-N 0 0 364.442 2.540 50 10 FFCARN C[C@@H]1CCCN(c2ccc(CNC(=O)c3[nH]nc4c3CN(C)CC4)cc2)C1 ZINC000097259331 132228443 /nfs/dbraw/zinc/22/84/43/132228443.db2.gz UMZVJODNWFYYHC-OAHLLOKOSA-N 0 0 367.497 2.564 50 10 FFCARN CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(N)=O)c3[C@@H]12 ZINC000217613608 132272444 /nfs/dbraw/zinc/27/24/44/132272444.db2.gz MFJYXBFXVVVVCA-NRFANRHFSA-N 0 0 374.444 2.664 50 10 biogenic FFCARN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000055916229 136127436 /nfs/dbraw/zinc/12/74/36/136127436.db2.gz YDIJDABNANGDBJ-INIZCTEOSA-N 0 0 371.868 2.972 50 10 FFCARN COc1ccc2c(c1)CCN2CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000058942545 136131924 /nfs/dbraw/zinc/13/19/24/136131924.db2.gz UCMNGLPSJGKGSD-UHFFFAOYSA-N 0 0 367.449 2.533 50 10 FFCARN COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2ccccc2S1(=O)=O ZINC000064979150 136134314 /nfs/dbraw/zinc/13/43/14/136134314.db2.gz CQTFLSIYDQUZBV-UHFFFAOYSA-N 0 0 358.419 2.692 50 10 FFCARN CN(C)c1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000101264434 222266955 /nfs/dbraw/zinc/26/69/55/222266955.db2.gz YVOKYPBRVIHUFV-BRWVUGGUSA-N 0 0 371.824 2.540 50 10 FFCARN CC(=O)N1CCc2cc(C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 ZINC000033231739 506349006 /nfs/dbraw/zinc/34/90/06/506349006.db2.gz QZCBANNJGPTDBN-UHFFFAOYSA-N 0 0 351.450 2.934 50 10 FFCARN 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CC(C)(C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000003896795 219530124 /nfs/dbraw/zinc/53/01/24/219530124.db2.gz AMJADGPPFKQEMC-UHFFFAOYSA-N 0 0 352.346 2.899 50 10 FFCARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O ZINC000004457177 219576635 /nfs/dbraw/zinc/57/66/35/219576635.db2.gz MOCPVADVFTVENA-YGRGUWMTSA-N 0 0 360.435 2.885 50 10 FFCARN CCOc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)ccc1O ZINC000012635828 220015671 /nfs/dbraw/zinc/01/56/71/220015671.db2.gz YMBAACNTCJKWHD-PGEKAQRJSA-N 0 0 367.448 2.554 50 10 FFCARN CCN(CC)c1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1 ZINC000013534492 220072456 /nfs/dbraw/zinc/07/24/56/220072456.db2.gz IFADTBGBYGDIQI-UVTDQMKNSA-N 0 0 364.492 2.907 50 10 FFCARN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNC[C@H](O)c1ccccc1 ZINC000017993546 220220806 /nfs/dbraw/zinc/22/08/06/220220806.db2.gz WKSGVWWQEIKBOW-PNDHZVEESA-N 0 0 366.377 2.524 50 10 FFCARN CCOc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccc(C)cc3)=N2)cc1 ZINC000020530847 220331781 /nfs/dbraw/zinc/33/17/81/220331781.db2.gz GUIANHHTHGXSKX-QGZVFWFLSA-N 0 0 351.406 2.741 50 10 FFCARN CCNC(=O)c1cccc(NC(=O)CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000058183297 221104401 /nfs/dbraw/zinc/10/44/01/221104401.db2.gz KQFKZVUJUZGCJR-UHFFFAOYSA-N 0 0 371.437 2.528 50 10 FFCARN C[C@@H](COCC(F)(F)F)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058266382 221111248 /nfs/dbraw/zinc/11/12/48/221111248.db2.gz YNPOBNWTZNEWFG-JTQLQIEISA-N 0 0 351.344 2.658 50 10 FFCARN CCN1C(=O)Cc2ccccc2[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000065169566 221174304 /nfs/dbraw/zinc/17/43/04/221174304.db2.gz OIXYIKPPFICDNY-FQEVSTJZSA-N 0 0 351.450 2.515 50 10 FFCARN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(c2ccccn2)CC1 ZINC000079491738 132193479 /nfs/dbraw/zinc/19/34/79/132193479.db2.gz LSQXYMSQCKRKFQ-UHFFFAOYSA-N 0 0 351.406 2.524 50 10 biogenic FFCARN CC(C)(C)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000056398640 136127754 /nfs/dbraw/zinc/12/77/54/136127754.db2.gz GIXJWCDKEWECHF-MRXNPFEDSA-N 0 0 360.502 2.624 50 10 FFCARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068462493 136137734 /nfs/dbraw/zinc/13/77/34/136137734.db2.gz OCVMBLSRWJRWMD-CQSZACIVSA-N 0 0 364.442 2.702 50 10 FFCARN CC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 ZINC000001176023 506254278 /nfs/dbraw/zinc/25/42/78/506254278.db2.gz ZCYXAYBZDZMADP-UHFFFAOYSA-N 0 0 352.346 2.583 50 10 FFCARN CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)C1 ZINC000001440057 506262753 /nfs/dbraw/zinc/26/27/53/506262753.db2.gz HHAYOUAAQBYJRH-HNDQUVLASA-N 0 0 374.462 2.941 50 10 FFCARN CCOC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12 ZINC000002159818 506273807 /nfs/dbraw/zinc/27/38/07/506273807.db2.gz KBEJNHGMCFZLRT-UHFFFAOYSA-N 0 0 355.346 2.993 50 10 biogenic FFCARN COc1ccc2ccc(OC)c(C=C3C(=O)NC(=S)N(C)C3=O)c2c1 ZINC000002265634 506276840 /nfs/dbraw/zinc/27/68/40/506276840.db2.gz STHDDUQUSXOZJM-NTEUORMPSA-N 0 0 356.403 2.954 50 10 FFCARN COc1ccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc1 ZINC000003911147 506354034 /nfs/dbraw/zinc/35/40/34/506354034.db2.gz BIXYDBOEQCALLU-UHFFFAOYSA-N 0 0 354.391 2.723 50 10 FFCARN COC(=O)C=C1NN(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]C(C)(C)C ZINC000004736893 506391370 /nfs/dbraw/zinc/39/13/70/506391370.db2.gz IGTOQTXJWHJKNG-ATVHPVEESA-N 0 0 359.426 2.623 50 10 FFCARN CCOc1ccc(N2C[C@H](C(=O)N(C)Cc3ccccc3O)CC2=O)cc1 ZINC000036390829 506405091 /nfs/dbraw/zinc/40/50/91/506405091.db2.gz QHWHTLKUPYYBRH-MRXNPFEDSA-N 0 0 368.433 2.802 50 10 FFCARN COc1ccc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 ZINC000005028548 506415424 /nfs/dbraw/zinc/41/54/24/506415424.db2.gz NZEPFLYLMKLJLL-UHFFFAOYSA-N 0 0 372.402 2.873 50 10 FFCARN COCCNc1cc(NC(C)C)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006661278 506495510 /nfs/dbraw/zinc/49/55/10/506495510.db2.gz KFIZEZJGSFFNDI-UHFFFAOYSA-N 0 0 353.422 2.923 50 10 FFCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)NCCc1ccccc1F ZINC000006660805 506495565 /nfs/dbraw/zinc/49/55/65/506495565.db2.gz POLQQROHTMTVOA-UHFFFAOYSA-N 0 0 371.364 2.553 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cn4ccc(Cl)cc4n3)CC2)cc1 ZINC000011866166 506799228 /nfs/dbraw/zinc/79/92/28/506799228.db2.gz PGAWXGQTJLMDEL-UHFFFAOYSA-N 0 0 370.840 2.959 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)NCCc2cn3ccccc3n2)cc1 ZINC000045610634 506990108 /nfs/dbraw/zinc/99/01/08/506990108.db2.gz LTCBMZYBRBMDRU-UHFFFAOYSA-N 0 0 351.454 2.784 50 10 FFCARN COc1ccc(N2CCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000058173749 507378452 /nfs/dbraw/zinc/37/84/52/507378452.db2.gz USAACVLQPYPVKU-SFHVURJKSA-N 0 0 367.493 2.864 50 10 FFCARN Cc1cc(C(=O)NC[C@@]2(O)CCO[C@@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000252491721 509841521 /nfs/dbraw/zinc/84/15/21/509841521.db2.gz LRLKAUODOUZFFF-UTKZUKDTSA-N 0 0 356.466 2.981 50 10 FFCARN CCOc1ccc(N2CCN(CC(=O)NCc3cccc(C)c3)CC2)cc1 ZINC000089991135 521041401 /nfs/dbraw/zinc/04/14/01/521041401.db2.gz DRWOSBNNZGIIAS-UHFFFAOYSA-N 0 0 367.493 2.832 50 10 FFCARN CC[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)C(C)(C)C1)n1cccn1 ZINC000092078616 535403417 /nfs/dbraw/zinc/40/34/17/535403417.db2.gz FLBMXYIGVYFZQW-SFHVURJKSA-N 0 0 356.470 2.970 50 10 FFCARN CCOCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000055531174 535493625 /nfs/dbraw/zinc/49/36/25/535493625.db2.gz WEIFVNUQCHOANT-HUUCEWRRSA-N 0 0 352.450 2.872 50 10 FFCARN CN1CCCc2cc(/C=C/C(=O)Nc3ccc(S(C)(=O)=O)nc3)ccc21 ZINC000061160357 536394975 /nfs/dbraw/zinc/39/49/75/536394975.db2.gz BRRGHVPPQFYCJR-RMKNXTFCSA-N 0 0 371.462 2.519 50 10 FFCARN Cc1cc(C(=O)COC(=O)c2cc[nH]n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000046349312 571111502 /nfs/dbraw/zinc/11/15/02/571111502.db2.gz GKTUBGMCIKQJMC-UHFFFAOYSA-N 0 0 367.361 2.586 50 10 FFCARN CCN1C(=O)C(=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)NC1=S ZINC000000980398 219349293 /nfs/dbraw/zinc/34/92/93/219349293.db2.gz WFUWBWRPBUNKJN-NVNXTCNLSA-N 0 0 369.446 2.900 50 10 FFCARN O=C(NN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)c1ccccc1O ZINC000001214940 219390244 /nfs/dbraw/zinc/39/02/44/219390244.db2.gz DWMYUQPBYRHCJQ-ZROIWOOFSA-N 0 0 372.427 2.644 50 10 FFCARN O=C(c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)N1CCCCC1 ZINC000004601892 219590747 /nfs/dbraw/zinc/59/07/47/219590747.db2.gz DOIQVEPLHXRHHF-UHFFFAOYSA-N 0 0 364.357 2.996 50 10 FFCARN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 ZINC000013532445 220072691 /nfs/dbraw/zinc/07/26/91/220072691.db2.gz AOHGFWVTYYWCQJ-UVTDQMKNSA-N 0 0 355.444 2.936 50 10 FFCARN O=S(=O)(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc2nonc21 ZINC000017075018 220203508 /nfs/dbraw/zinc/20/35/08/220203508.db2.gz QKGYZAWOKIGWGJ-UHFFFAOYSA-N 0 0 365.239 2.719 50 10 FFCARN O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCCN1CCOCC1 ZINC000020265249 220321045 /nfs/dbraw/zinc/32/10/45/220321045.db2.gz RQBDEYGOMWLEJZ-QINSGFPZSA-N 0 0 366.483 2.749 50 10 FFCARN CCOc1ccccc1[C@@H]1CC(=O)NC(NC(=O)c2ccc(C)cc2)=N1 ZINC000020924799 220345805 /nfs/dbraw/zinc/34/58/05/220345805.db2.gz MSJBYCMUDTXKME-INIZCTEOSA-N 0 0 351.406 2.741 50 10 FFCARN COc1ccc(N(CC(=O)c2cccn2C)CC(=O)c2cccn2C)cc1 ZINC000032830940 220686630 /nfs/dbraw/zinc/68/66/30/220686630.db2.gz JMFKCHXYOJQHMH-UHFFFAOYSA-N 0 0 365.433 2.944 50 10 FFCARN O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1N1CCOCC1 ZINC000054360833 221053192 /nfs/dbraw/zinc/05/31/92/221053192.db2.gz YCYWOLVDNHYIIZ-PTNGSMBKSA-N 0 0 357.460 2.683 50 10 FFCARN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C)s3)CC2)cc1 ZINC000003555430 132385490 /nfs/dbraw/zinc/38/54/90/132385490.db2.gz CDTKPOHWBLPKHU-UHFFFAOYSA-N 0 0 374.462 2.571 50 10 FFCARN COc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000004413107 132386917 /nfs/dbraw/zinc/38/69/17/132386917.db2.gz BTWMPJXMYGDBMH-MRXNPFEDSA-N 0 0 370.449 2.820 50 10 FFCARN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000006714301 132833884 /nfs/dbraw/zinc/83/38/84/132833884.db2.gz KZYUOKMBMDKCQQ-UHFFFAOYSA-N 0 0 360.479 2.769 50 10 FFCARN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCc3ccccc3)cc2)C1 ZINC000048374638 136123608 /nfs/dbraw/zinc/12/36/08/136123608.db2.gz UVIFXJHWMFSKJG-IBGZPJMESA-N 0 0 365.477 2.637 50 10 FFCARN CN(C)c1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000100557236 222246496 /nfs/dbraw/zinc/24/64/96/222246496.db2.gz YVOKYPBRVIHUFV-ZACQAIPSSA-N 0 0 371.824 2.540 50 10 FFCARN CCCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1O ZINC000002069765 506269759 /nfs/dbraw/zinc/26/97/59/506269759.db2.gz QRSQNGHRDKAAHX-UHFFFAOYSA-N 0 0 365.407 2.768 50 10 FFCARN CCOc1ccc(/C=C2/C(=O)N(CCCOC)C(C)=C2C(=O)OC)cc1 ZINC000002375639 506277982 /nfs/dbraw/zinc/27/79/82/506277982.db2.gz YZHLWVPZWAVDRE-GHRIWEEISA-N 0 0 359.422 2.794 50 10 FFCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000032869835 506304747 /nfs/dbraw/zinc/30/47/47/506304747.db2.gz VONHKLSBTVUWBD-UHFFFAOYSA-N 0 0 369.421 2.916 50 10 FFCARN CSC1=NSC2=NC(=O)/C(=C\c3ccc(Br)o3)C(=N)N12 ZINC000032945413 506316947 /nfs/dbraw/zinc/31/69/47/506316947.db2.gz OSIYOZMUONJFPQ-JGDZXVCDSA-N 0 0 371.241 2.982 50 10 FFCARN O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1cccnc1 ZINC000033306079 506354994 /nfs/dbraw/zinc/35/49/94/506354994.db2.gz RIWJJRANLSUCRL-MDWZMJQESA-N 0 0 359.407 2.767 50 10 FFCARN CCCCNc1cc(NCCO)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000006664898 506495786 /nfs/dbraw/zinc/49/57/86/506495786.db2.gz JYOTVSJRVRUAAL-UHFFFAOYSA-N 0 0 353.422 2.660 50 10 FFCARN CCc1ccc(C(=O)NC2=N[C@@H](c3ccc(OC)cc3)CC(=O)N2)cc1 ZINC000006817816 506510758 /nfs/dbraw/zinc/51/07/58/506510758.db2.gz ZCCVWIOEHJIPRR-QGZVFWFLSA-N 0 0 351.406 2.605 50 10 FFCARN CN(C)c1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000008172364 506628581 /nfs/dbraw/zinc/62/85/81/506628581.db2.gz HXEBWKKTCCCUFI-UHFFFAOYSA-N 0 0 351.450 2.738 50 10 FFCARN Cc1c2ccc([O-])c(C[NH2+]C[C@@H](C)O)c2oc(=O)c1Cc1ccccc1 ZINC000008764700 506668085 /nfs/dbraw/zinc/66/80/85/506668085.db2.gz KNZBSEZTYPMGCB-CYBMUJFWSA-N 0 0 353.418 2.868 50 10 biogenic FFCARN COc1ccc(N2CCN(c3nc(-c4ccccc4)cc(=O)[nH]3)CC2)cc1 ZINC000009355724 506693560 /nfs/dbraw/zinc/69/35/60/506693560.db2.gz BWNAOQVQNUQYCZ-UHFFFAOYSA-N 0 0 362.433 2.772 50 10 FFCARN CC(=O)N[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC000011085383 506764074 /nfs/dbraw/zinc/76/40/74/506764074.db2.gz UESOZDUPCPHZQR-FQEVSTJZSA-N 0 0 355.482 2.914 50 10 FFCARN Cc1nn(C)c(C)c1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000012533621 506872746 /nfs/dbraw/zinc/87/27/46/506872746.db2.gz LQLRGIFXGQYHBM-MDZDMXLPSA-N 0 0 368.481 2.545 50 10 FFCARN COc1ccc(N(CCC(N)=O)Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000012551728 506878414 /nfs/dbraw/zinc/87/84/14/506878414.db2.gz FIKSKJGKXDIJRH-UHFFFAOYSA-N 0 0 358.829 2.878 50 10 FFCARN COc1ccc(N2CC[NH+](Cc3c([O-])ccc4ccc(=O)oc43)CC2)cc1 ZINC000015833989 507063723 /nfs/dbraw/zinc/06/37/23/507063723.db2.gz GJYLDDOKNIFOPC-UHFFFAOYSA-N 0 0 366.417 2.829 50 10 FFCARN COc1ccc(NC(=O)COC(=O)c2ccc(C)c(O)c2O)cc1Cl ZINC000058178164 507380569 /nfs/dbraw/zinc/38/05/69/507380569.db2.gz QNZPCXGCUBULCD-UHFFFAOYSA-N 0 0 365.769 2.864 50 10 FFCARN COc1cccc(-n2nnc(C(=O)N(C)Cc3ccccc3O)c2C)c1 ZINC000058415294 507416995 /nfs/dbraw/zinc/41/69/95/507416995.db2.gz VOXCOOAXEHAFDW-UHFFFAOYSA-N 0 0 352.394 2.562 50 10 FFCARN O=C1/C(=C\c2cccs2)SC(=S)N1CCCN1CCOCC1 ZINC000027229680 507640159 /nfs/dbraw/zinc/64/01/59/507640159.db2.gz JMFGLSCDGKQELD-ACCUITESSA-N 0 0 354.522 2.672 50 10 FFCARN O=C(c1cccc(O)c1O)N1CCC[C@]2(CCC(=O)N(C3CCCC3)C2)C1 ZINC000077505778 508325014 /nfs/dbraw/zinc/32/50/14/508325014.db2.gz NTZABBHOZAPZAH-NRFANRHFSA-N 0 0 372.465 2.885 50 10 FFCARN CN(C)c1ccc2c(c1)CN(C(=O)c1nn(C)c3ccccc31)CCO2 ZINC000575540856 518228819 /nfs/dbraw/zinc/22/88/19/518228819.db2.gz GMKCKJVOADOORL-UHFFFAOYSA-N 0 0 350.422 2.674 50 10 FFCARN COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)c1 ZINC000000831630 219328177 /nfs/dbraw/zinc/32/81/77/219328177.db2.gz AICGEFBMHNQWOL-GZTJUZNOSA-N 0 0 352.390 2.782 50 10 FFCARN COC(=O)COc1ccc2c(c1)oc(=O)cc2-c1cccc([N+](=O)[O-])c1 ZINC000000842818 219329475 /nfs/dbraw/zinc/32/94/75/219329475.db2.gz XQGYZAXDYGLKFO-UHFFFAOYSA-N 0 0 355.302 2.920 50 10 biogenic FFCARN CN1C(=O)C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N(C)C1=O ZINC000001092574 219368538 /nfs/dbraw/zinc/36/85/38/219368538.db2.gz DUKICAGSLFYSKR-UHFFFAOYSA-N 0 0 368.364 2.839 50 10 FFCARN CCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)c(OCC)c1 ZINC000001102391 219369624 /nfs/dbraw/zinc/36/96/24/219369624.db2.gz NXBAUDLGGCYQGO-LFIBNONCSA-N 0 0 362.451 2.787 50 10 FFCARN CCc1nnc(NC(=O)CCc2nc3cc(Cl)ccc3oc2=O)s1 ZINC000008131847 219847960 /nfs/dbraw/zinc/84/79/60/219847960.db2.gz ADDICRJAKKQJCY-UHFFFAOYSA-N 0 0 364.814 2.827 50 10 FFCARN COc1ccc(N(CCC(N)=O)CC(=O)Nc2cccc(SC)c2)cc1 ZINC000012522211 220001855 /nfs/dbraw/zinc/00/18/55/220001855.db2.gz IEJQTXIRIPTNAD-UHFFFAOYSA-N 0 0 373.478 2.738 50 10 FFCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 ZINC000013282867 220063060 /nfs/dbraw/zinc/06/30/60/220063060.db2.gz VOLRJXCHAHMYSW-UVTDQMKNSA-N 0 0 355.444 2.936 50 10 FFCARN Cn1cccc1/C=C1\SC(N2CCN(Cc3ccccc3)CC2)=NC1=O ZINC000013570002 220074520 /nfs/dbraw/zinc/07/45/20/220074520.db2.gz NPSUOTCDUHKRJP-JXAWBTAJSA-N 0 0 366.490 2.813 50 10 FFCARN COc1cccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4O)c1O ZINC000019323526 220249516 /nfs/dbraw/zinc/24/95/16/220249516.db2.gz IBSMYEJUGQGING-UHFFFAOYSA-N 0 0 360.498 2.690 50 10 biogenic FFCARN CCc1cc2c3ccccc3c(=O)oc2c(C[NH+]2CCN(C)CC2)c1[O-] ZINC000019790606 220295816 /nfs/dbraw/zinc/29/58/16/220295816.db2.gz NLJZFUFPTJYGMC-UHFFFAOYSA-N 0 0 352.434 2.962 50 10 FFCARN COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC ZINC000019909773 220304426 /nfs/dbraw/zinc/30/44/26/220304426.db2.gz POUGOEFZYGQTHG-HXUWFJFHSA-N 0 0 373.405 2.560 50 10 FFCARN CCOC(=O)CCNC(=O)NCc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000020860299 220342787 /nfs/dbraw/zinc/34/27/87/220342787.db2.gz IQWGNKMHYCYVLT-UHFFFAOYSA-N 0 0 361.417 2.986 50 10 FFCARN CCOC(=O)CCNC(=O)NCc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000020860376 220343238 /nfs/dbraw/zinc/34/32/38/220343238.db2.gz QLWNRFLVMRNCJP-UHFFFAOYSA-N 0 0 373.453 2.855 50 10 FFCARN COc1cc([C@@H]2CC(c3ccccc3O)=NN2C=O)cc(OC)c1OC ZINC000066091606 221239851 /nfs/dbraw/zinc/23/98/51/221239851.db2.gz QEHZTAFEIWTPSP-HNNXBMFYSA-N 0 0 356.378 2.726 50 10 FFCARN Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)c(C)n1-c1ccccc1 ZINC000068920742 221319233 /nfs/dbraw/zinc/31/92/33/221319233.db2.gz RIJUZZWWCPCGMI-UHFFFAOYSA-N 0 0 355.482 2.935 50 10 FFCARN O=C(/C=C\c1cnn(Cc2ccccc2)c1)N1CC(=O)Nc2ccccc21 ZINC000096920536 132226572 /nfs/dbraw/zinc/22/65/72/132226572.db2.gz PVIUOUPXWABJKN-KHPPLWFESA-N 0 0 358.401 2.930 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cc(=O)cc(C)o3)CC2(C)C)cc1 ZINC000218993816 132273614 /nfs/dbraw/zinc/27/36/14/132273614.db2.gz ZRUUJSKRMLSOEA-UHFFFAOYSA-N 0 0 356.422 2.698 50 10 FFCARN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000001384395 132381707 /nfs/dbraw/zinc/38/17/07/132381707.db2.gz PABCTOMGZLXKRI-UHFFFAOYSA-N 0 0 374.506 2.682 50 10 FFCARN COC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000056946278 136127943 /nfs/dbraw/zinc/12/79/43/136127943.db2.gz QTJQUODLLKBVCZ-QGZVFWFLSA-N 0 0 359.426 2.508 50 10 FFCARN COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCO4)[C@@H](C)C2)cc1 ZINC000072418971 136145805 /nfs/dbraw/zinc/14/58/05/136145805.db2.gz ORFPQRLDCMMOSO-HNNXBMFYSA-N 0 0 368.433 2.704 50 10 FFCARN NC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(N3CCCCCC3)cc2)C1 ZINC000096904544 222137700 /nfs/dbraw/zinc/13/77/00/222137700.db2.gz XCPMENBSAUJJIG-DVESRUBUSA-N 0 0 355.482 2.804 50 10 FFCARN COCCNC(=O)c1ccc(NC(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC000097514230 222186522 /nfs/dbraw/zinc/18/65/22/222186522.db2.gz WVGRTCNNQFHEKD-CQSZACIVSA-N 0 0 371.437 2.960 50 10 FFCARN O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000002726870 506290272 /nfs/dbraw/zinc/29/02/72/506290272.db2.gz HXRYKJDXOKRREU-UHFFFAOYSA-N 0 0 372.833 2.833 50 10 FFCARN O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccccc1 ZINC000033286012 506353267 /nfs/dbraw/zinc/35/32/67/506353267.db2.gz GMRPUDKLBOTNPQ-NTEUORMPSA-N 0 0 372.427 2.644 50 10 FFCARN CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000004042857 506355685 /nfs/dbraw/zinc/35/56/85/506355685.db2.gz MWKKDGJTCNPDSH-INIZCTEOSA-N 0 0 363.483 2.677 50 10 FFCARN COc1cccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1OC ZINC000004307256 506370299 /nfs/dbraw/zinc/37/02/99/506370299.db2.gz SHMHWMPRDAIDAB-WWISCJFESA-N 0 0 362.451 2.783 50 10 FFCARN CN(C)c1ccc(CNC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 ZINC000035429283 506383748 /nfs/dbraw/zinc/38/37/48/506383748.db2.gz SJPRCJRHYHVCKF-GOSISDBHSA-N 0 0 355.413 2.561 50 10 FFCARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000004602803 506384217 /nfs/dbraw/zinc/38/42/17/506384217.db2.gz QEZWUPAAXRFDRB-GFCCVEGCSA-N 0 0 357.797 2.974 50 10 FFCARN CC(=O)NN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000004719529 506390509 /nfs/dbraw/zinc/39/05/09/506390509.db2.gz OJPPSKWVJMPWGI-UXBLZVDNSA-N 0 0 357.254 2.701 50 10 FFCARN CCOC(=O)CC1(c2ccc(OC)c(OC)c2)C(=O)c2ccccc2C1=O ZINC000005072396 506420993 /nfs/dbraw/zinc/42/09/93/506420993.db2.gz YSVHPRBZNNADQG-UHFFFAOYSA-N 0 0 368.385 2.974 50 10 FFCARN CC(C)CNc1cc(NCCO)c2c(c1N)C(=O)c1ccccc1C2=O ZINC000005452410 506444736 /nfs/dbraw/zinc/44/47/36/506444736.db2.gz AICKEIBYNFJMOS-UHFFFAOYSA-N 0 0 353.422 2.516 50 10 FFCARN CN1C(=O)C(=CNc2cc(C(F)(F)F)ccc2Cl)C(=O)N(C)C1=O ZINC000005719687 506454304 /nfs/dbraw/zinc/45/43/04/506454304.db2.gz QLDDDAMWDHDBIV-UHFFFAOYSA-N 0 0 361.707 2.705 50 10 FFCARN CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000005789475 506456293 /nfs/dbraw/zinc/45/62/93/506456293.db2.gz NVJKQGIQUXJJJW-RIYZIHGNSA-N 0 0 357.347 2.961 50 10 FFCARN CN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2Cl)C(=O)N(C)C1=O ZINC000006413610 506481091 /nfs/dbraw/zinc/48/10/91/506481091.db2.gz BHRHUTVTOKNOTH-UHFFFAOYSA-N 0 0 361.707 2.705 50 10 FFCARN Cc1c(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cccc1[N+](=O)[O-] ZINC000006418135 506482719 /nfs/dbraw/zinc/48/27/19/506482719.db2.gz QBJDEMVYCSABAN-UHFFFAOYSA-N 0 0 369.333 2.597 50 10 FFCARN CC(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)OCCO4)CC2)cc1 ZINC000008726101 506663701 /nfs/dbraw/zinc/66/37/01/506663701.db2.gz SPXGMSFCBBOOTO-UHFFFAOYSA-N 0 0 368.433 2.688 50 10 FFCARN O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1N1CCOCC1 ZINC000008991324 506675735 /nfs/dbraw/zinc/67/57/35/506675735.db2.gz IBJMSPZZFBKBDT-PTNGSMBKSA-N 0 0 357.460 2.683 50 10 FFCARN O=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000011906603 506803499 /nfs/dbraw/zinc/80/34/99/506803499.db2.gz DPEBSHBTNLTJKC-UHFFFAOYSA-N 0 0 374.418 2.733 50 10 FFCARN Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000013669217 506949273 /nfs/dbraw/zinc/94/92/73/506949273.db2.gz ISJKYVFCUFPGGZ-UHFFFAOYSA-N 0 0 354.450 2.835 50 10 FFCARN COc1ccc(N2CCN(c3nc(CCC(C)C)cc(=O)[nH]3)CC2)cc1 ZINC000022448950 507292478 /nfs/dbraw/zinc/29/24/78/507292478.db2.gz DSVIQNCEHIBNQV-UHFFFAOYSA-N 0 0 356.470 2.694 50 10 FFCARN Cc1c2cc(F)ccc2n(C)c1C(=O)N[C@H]1CCCN(c2cnccn2)C1 ZINC000426406103 513930975 /nfs/dbraw/zinc/93/09/75/513930975.db2.gz KPJDERLDCWJPSX-HNNXBMFYSA-N 0 0 367.428 2.815 50 10 FFCARN CC(C)OC[C@@H](O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000604405439 520553929 /nfs/dbraw/zinc/55/39/29/520553929.db2.gz SUVHXNLAJLOFQS-AWEZNQCLSA-N 0 0 363.413 2.999 50 10 biogenic FFCARN CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000020603869 522243828 /nfs/dbraw/zinc/24/38/28/522243828.db2.gz OYJDSGBQCGIASR-QGZVFWFLSA-N 0 0 359.495 2.617 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3csc(CN(C)C)n3)[C@@H](C)C2)cc1 ZINC000072457444 536690844 /nfs/dbraw/zinc/69/08/44/536690844.db2.gz QDZHTGGGWKVWBX-AWEZNQCLSA-N 0 0 374.510 2.564 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3coc(=O)c4ccccc34)CC2)cc1 ZINC000002455763 536691556 /nfs/dbraw/zinc/69/15/56/536691556.db2.gz AIMHPWGBZPTQHL-UHFFFAOYSA-N 0 0 364.401 2.764 50 10 FFCARN O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCOCC1 ZINC000084405078 571085064 /nfs/dbraw/zinc/08/50/64/571085064.db2.gz SDPKPHXXXIDMNV-ZDUSSCGKSA-N 0 0 372.387 2.954 50 10 FFCARN CCN1c2ccccc2S/C1=C\C=C\C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000685944740 571104469 /nfs/dbraw/zinc/10/44/69/571104469.db2.gz UKYHBLLMVYEBGF-ZXURELPXSA-N 0 0 369.446 2.993 50 10 FFCARN COc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1[N+](=O)[O-] ZINC000002832373 966397116 /nfs/dbraw/zinc/39/71/16/966397116.db2.gz IKUYOXKDAAMLQJ-UHFFFAOYSA-N 0 0 373.346 2.618 50 10 FFCARN CC(NC#N)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000000857604 219332263 /nfs/dbraw/zinc/33/22/63/219332263.db2.gz BKFHKPRMIRDMKW-YFHOEESVSA-N 0 0 351.313 2.906 50 10 FFCARN Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 ZINC000000880429 219335768 /nfs/dbraw/zinc/33/57/68/219335768.db2.gz UXFDGLFBMZOLOG-UHFFFAOYSA-N 0 0 357.347 2.918 50 10 FFCARN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(Br)c1 ZINC000001056653 219360267 /nfs/dbraw/zinc/36/02/67/219360267.db2.gz ATRHUQHPDMLIOA-FMIVXFBMSA-N 0 0 353.241 2.752 50 10 FFCARN CCc1ccc(C(=O)NC2=N[C@H](c3ccc(OC)cc3)CC(=O)N2)cc1 ZINC000006817814 219774828 /nfs/dbraw/zinc/77/48/28/219774828.db2.gz ZCCVWIOEHJIPRR-KRWDZBQOSA-N 0 0 351.406 2.605 50 10 FFCARN Cc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000012610008 220013528 /nfs/dbraw/zinc/01/35/28/220013528.db2.gz CXEZKQSYWFRKLM-UHFFFAOYSA-N 0 0 353.466 2.783 50 10 FFCARN O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCN1CCOCC1 ZINC000013001015 220051484 /nfs/dbraw/zinc/05/14/84/220051484.db2.gz OJKMCLOWBGPVPL-KAMYIIQDSA-N 0 0 368.911 2.873 50 10 FFCARN COc1cc(OC)c(C=C2SC(=S)NC2=O)cc1Br ZINC000013881295 220097906 /nfs/dbraw/zinc/09/79/06/220097906.db2.gz XBLRXIHCCOCSLO-WMZJFQQLSA-N 0 0 360.254 2.955 50 10 FFCARN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)ccc3O)CC2)cc1 ZINC000019313374 220250055 /nfs/dbraw/zinc/25/00/55/220250055.db2.gz LMBLLBIQIRUYET-UHFFFAOYSA-N 0 0 360.479 2.516 50 10 FFCARN COCCNc1cc(NCCO)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322408 220322771 /nfs/dbraw/zinc/32/27/71/220322771.db2.gz MSRHMZREBKZHKM-UHFFFAOYSA-N 0 0 353.378 2.502 50 10 FFCARN CN(c1ccc(CNC(=O)CCN2C(=O)CCC2=O)cc1)C1CCCCC1 ZINC000058184190 221104739 /nfs/dbraw/zinc/10/47/39/221104739.db2.gz SOUJIVUYSGCGOF-UHFFFAOYSA-N 0 0 371.481 2.611 50 10 FFCARN O=[N+]([O-])c1cc(CNc2ccc3c(c2)OCCO3)ccc1N1CCOCC1 ZINC000227156763 132287987 /nfs/dbraw/zinc/28/79/87/132287987.db2.gz QRYSMESNCXKYTO-UHFFFAOYSA-N 0 0 371.393 2.815 50 10 FFCARN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CC3CCCCC3)cc2)C1 ZINC000055916182 136127453 /nfs/dbraw/zinc/12/74/53/136127453.db2.gz KCPRWRUMZJOAGA-SFHVURJKSA-N 0 0 357.498 2.975 50 10 FFCARN C[C@H](NC(=O)COc1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000072117880 136141998 /nfs/dbraw/zinc/14/19/98/136141998.db2.gz NQLJGLOPZYADTC-HNNXBMFYSA-N 0 0 358.413 2.919 50 10 FFCARN CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002139622 506272870 /nfs/dbraw/zinc/27/28/70/506272870.db2.gz KFSANEVZNCAVEL-KRWDZBQOSA-N 0 0 367.401 2.847 50 10 biogenic FFCARN COc1ccc(N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000033285084 506352647 /nfs/dbraw/zinc/35/26/47/506352647.db2.gz RVMYNLFGNQOCMX-WJDWOHSUSA-N 0 0 358.463 2.818 50 10 FFCARN O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000033395684 506356761 /nfs/dbraw/zinc/35/67/61/506356761.db2.gz PPGDBDIMGZEDKQ-CXWDMRCRSA-N 0 0 365.501 2.631 50 10 FFCARN CC(=O)N1[C@@H](c2ccccc2O)SC[C@@H]1C(=O)NCc1ccc(C)cc1 ZINC000004699324 506388092 /nfs/dbraw/zinc/38/80/92/506388092.db2.gz PIISJDXTMDICLB-YLJYHZDGSA-N 0 0 370.474 2.980 50 10 FFCARN COc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)cc1OC ZINC000005898424 506461648 /nfs/dbraw/zinc/46/16/48/506461648.db2.gz OGLXPHHKRQZXID-YWOAEBAUSA-N 0 0 362.451 2.783 50 10 FFCARN Cc1ccc(/C=C2/C(C)=NN(c3ccc(S(N)(=O)=O)cc3)C2=O)s1 ZINC000012338797 506853862 /nfs/dbraw/zinc/85/38/62/506853862.db2.gz JNGCXUATWMWFMK-DHDCSXOGSA-N 0 0 361.448 2.510 50 10 FFCARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3nnnn32)cc1 ZINC000012411728 506860306 /nfs/dbraw/zinc/86/03/06/506860306.db2.gz OFQJZFMRPGLMGF-QGZVFWFLSA-N 0 0 370.457 2.760 50 10 FFCARN CN1CCCc2cc([C@H](CNC(=O)C(C)(C)C)N3CCOCC3)ccc21 ZINC000022734603 507304902 /nfs/dbraw/zinc/30/49/02/507304902.db2.gz CRNHGTBXIZZTIE-IBGZPJMESA-N 0 0 359.514 2.605 50 10 FFCARN CN1CCCc2cc(CNC(=O)[C@@]3(C)Cc4ccccc4C(=O)O3)ccc21 ZINC000069950519 507591154 /nfs/dbraw/zinc/59/11/54/507591154.db2.gz RQWJHIDPMTZVQX-JOCHJYFZSA-N 0 0 364.445 2.857 50 10 FFCARN COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3C)CC2)cc1 ZINC000003555489 536682885 /nfs/dbraw/zinc/68/28/85/536682885.db2.gz YGFHPVBGMUKLSO-UHFFFAOYSA-N 0 0 368.433 2.509 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/nfs/dbraw/zinc/38/15/76/506381576.db2.gz PZEXPSITIKDALD-UHFFFAOYSA-N 0 0 355.394 2.874 50 10 FFCARN Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005390615 506439117 /nfs/dbraw/zinc/43/91/17/506439117.db2.gz YSPDYIKFHNLQGF-IBGZPJMESA-N 0 0 350.470 2.996 50 10 FFCARN Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccccn1 ZINC000009882869 506716227 /nfs/dbraw/zinc/71/62/27/506716227.db2.gz FBNKDWAMDAMWED-UHFFFAOYSA-N 0 0 374.404 2.727 50 10 FFCARN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000013673965 506949178 /nfs/dbraw/zinc/94/91/78/506949178.db2.gz ZSUJHCFQJWPRHS-UHFFFAOYSA-N 0 0 373.478 2.588 50 10 FFCARN COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCOCC2)cc1OC ZINC000019909776 507206282 /nfs/dbraw/zinc/20/62/82/507206282.db2.gz POUGOEFZYGQTHG-FQEVSTJZSA-N 0 0 373.405 2.560 50 10 FFCARN CCC[NH2+]Cc1c([O-])c(Cl)cc2c(C)c(CC(=O)OC)c(=O)oc21 ZINC000020646696 507228915 /nfs/dbraw/zinc/22/89/15/507228915.db2.gz ZOPOIIPDIWLZFR-UHFFFAOYSA-N 0 0 353.802 2.676 50 10 FFCARN Cc1cc(CNS(=O)(=O)NCc2ccccc2)ccc1N1CCCC1 ZINC000072168804 507769032 /nfs/dbraw/zinc/76/90/32/507769032.db2.gz LMUUXTZPEDWNPB-UHFFFAOYSA-N 0 0 359.495 2.719 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)cc1 ZINC000097939139 508230392 /nfs/dbraw/zinc/23/03/92/508230392.db2.gz LSPMNCGIIJPRHD-UHFFFAOYSA-N 0 0 350.422 2.614 50 10 FFCARN Cc1cc(Br)cc2c1NC(=O)C2=C1SC(=S)NC1=O ZINC000100110368 508238170 /nfs/dbraw/zinc/23/81/70/508238170.db2.gz VLLRKQVBZJEPMJ-CLFYSBASSA-N 0 0 355.238 2.569 50 10 FFCARN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3OC)CC2)cc1 ZINC000057350872 536699970 /nfs/dbraw/zinc/69/99/70/536699970.db2.gz UYGRNSDMEJIYJP-INIZCTEOSA-N 0 0 369.465 2.853 50 10 FFCARN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000084422117 571085301 /nfs/dbraw/zinc/08/53/01/571085301.db2.gz KGMALIMJMMVRRD-ROUUACIJSA-N 0 0 369.440 2.602 50 10 FFCARN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 ZINC000001090152 219368859 /nfs/dbraw/zinc/36/88/59/219368859.db2.gz DHQPCIWJIMCPJK-GXDHUFHOSA-N 0 0 371.443 2.636 50 10 FFCARN COc1cc(OC)c(C=C2C(=O)OC3(CCCCC3)OC2=O)c(OC)c1 ZINC000000634635 206819330 /nfs/dbraw/zinc/81/93/30/206819330.db2.gz QEIVSJTXTHJJJP-UHFFFAOYSA-N 0 0 362.378 2.856 50 10 FFCARN COc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1 ZINC000003509895 206982735 /nfs/dbraw/zinc/98/27/35/206982735.db2.gz KBDIOQHOIJRWTN-UHFFFAOYSA-N 0 0 357.439 2.601 50 10 FFCARN CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)C(=O)NC1=S ZINC000004674789 207037559 /nfs/dbraw/zinc/03/75/59/207037559.db2.gz GZYVGGQBEOHKCB-GXDHUFHOSA-N 0 0 370.405 2.661 50 10 FFCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000006517556 207143356 /nfs/dbraw/zinc/14/33/56/207143356.db2.gz YNAWIGYMGOLMQX-GOSISDBHSA-N 0 0 366.527 2.705 50 10 FFCARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccco1 ZINC000008112671 207219883 /nfs/dbraw/zinc/21/98/83/207219883.db2.gz GEGVVFXOWNIEEO-MDWZMJQESA-N 0 0 361.400 2.996 50 10 FFCARN COc1cccc([C@@H]2OC(c3ccccc3OC(C)=O)=NN2C(C)=O)c1O ZINC000009586211 207278810 /nfs/dbraw/zinc/27/88/10/207278810.db2.gz MJMUVMYWELTXTP-IBGZPJMESA-N 0 0 370.361 2.565 50 10 FFCARN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000012552238 207392006 /nfs/dbraw/zinc/39/20/06/207392006.db2.gz BHTOGDAFGYQSPK-UHFFFAOYSA-N 0 0 360.844 2.512 50 10 FFCARN O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccncc1 ZINC000033343876 208088981 /nfs/dbraw/zinc/08/89/81/208088981.db2.gz FLAADWAHAGTKBT-UKTHLTGXSA-N 0 0 359.407 2.767 50 10 FFCARN COc1cccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)c1O ZINC000065395249 208673056 /nfs/dbraw/zinc/67/30/56/208673056.db2.gz LQJZVNHPCAGNBH-UHFFFAOYSA-N 0 0 374.388 2.593 50 10 FFCARN CCc1nc(CCNC(=O)N2CCOc3cc(N(C)C)ccc32)cs1 ZINC000097141453 132227674 /nfs/dbraw/zinc/22/76/74/132227674.db2.gz YJHFJJKTTVOGBA-UHFFFAOYSA-N 0 0 360.483 2.923 50 10 FFCARN COc1c[nH]c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1=O ZINC000097217552 132228175 /nfs/dbraw/zinc/22/81/75/132228175.db2.gz DHMVXMKHZZNWNN-CQSZACIVSA-N 0 0 355.438 2.550 50 10 FFCARN COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(O)cc34)CC2)cc1 ZINC000054106028 132376091 /nfs/dbraw/zinc/37/60/91/132376091.db2.gz ATOLKIIXQAADOH-UHFFFAOYSA-N 0 0 366.417 2.829 50 10 biogenic FFCARN COc1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000001054934 132379695 /nfs/dbraw/zinc/37/96/95/132379695.db2.gz UBTDKEZYMYAXIC-UHFFFAOYSA-N 0 0 354.450 2.985 50 10 FFCARN Cc1cc(N2CCCCC2)ccc1C=C1C(=O)N(C)C(=S)N(C)C1=O ZINC000001146989 132380432 /nfs/dbraw/zinc/38/04/32/132380432.db2.gz GEGWCTDDFLTKFD-UHFFFAOYSA-N 0 0 357.479 2.584 50 10 FFCARN Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000030873569 132922628 /nfs/dbraw/zinc/92/26/28/132922628.db2.gz SABFDMDCOHQELP-QGZVFWFLSA-N 0 0 354.450 2.915 50 10 FFCARN COc1ccc(N2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)cc1 ZINC000032069503 132924025 /nfs/dbraw/zinc/92/40/25/132924025.db2.gz UYPKLHWPYKXNRX-UHFFFAOYSA-N 0 0 352.442 2.583 50 10 FFCARN C[C@H](NC(=O)c1cccc2c[nH]nc21)c1ccc(N2CCOCC2)cc1 ZINC000065609387 136136697 /nfs/dbraw/zinc/13/66/97/136136697.db2.gz ATRMWXKQNKMADZ-AWEZNQCLSA-N 0 0 350.422 2.891 50 10 FFCARN Cc1cc(N)c(-n2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1C ZINC000001119188 506250274 /nfs/dbraw/zinc/25/02/74/506250274.db2.gz BLEFOAHIPYPLRG-UHFFFAOYSA-N 0 0 374.444 2.894 50 10 FFCARN COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)c1 ZINC000001210162 506254795 /nfs/dbraw/zinc/25/47/95/506254795.db2.gz XETCJQBQFLVMQJ-GXDHUFHOSA-N 0 0 371.443 2.636 50 10 FFCARN CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)CC1 ZINC000001471567 506264852 /nfs/dbraw/zinc/26/48/52/506264852.db2.gz IGDOTPAYIKQQNY-SFQUDFHCSA-N 0 0 373.478 2.608 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1 ZINC000004841123 506398762 /nfs/dbraw/zinc/39/87/62/506398762.db2.gz KILVHBKYLHVRCH-UHFFFAOYSA-N 0 0 354.406 2.583 50 10 FFCARN Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005390612 506439084 /nfs/dbraw/zinc/43/90/84/506439084.db2.gz YSPDYIKFHNLQGF-LJQANCHMSA-N 0 0 350.470 2.996 50 10 FFCARN COCC[NH2+]Cc1c([O-])ccc2c(-c3ccc(OC)cc3)cc(=O)oc21 ZINC000008765148 506666901 /nfs/dbraw/zinc/66/69/01/506666901.db2.gz NTKKCWLWXNWYKJ-UHFFFAOYSA-N 0 0 355.390 2.910 50 10 biogenic FFCARN COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000010907370 506757952 /nfs/dbraw/zinc/75/79/52/506757952.db2.gz YQRYUYZZESLRQU-UHFFFAOYSA-N 0 0 358.413 2.943 50 10 FFCARN O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccncc1 ZINC000013122593 506928059 /nfs/dbraw/zinc/92/80/59/506928059.db2.gz LVHBCOYAXHVCRP-LFXCGDNUSA-N 0 0 357.416 2.777 50 10 FFCARN CCc1ccccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C ZINC000013570324 506945830 /nfs/dbraw/zinc/94/58/30/506945830.db2.gz BUMUYZUAVMIMLY-UHFFFAOYSA-N 0 0 353.447 2.571 50 10 FFCARN COc1ccc(-n2nnnc2COc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000013655129 506949822 /nfs/dbraw/zinc/94/98/22/506949822.db2.gz AZULJSRKFXTOHI-UHFFFAOYSA-N 0 0 364.361 2.665 50 10 biogenic FFCARN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 ZINC000013785873 506956266 /nfs/dbraw/zinc/95/62/66/506956266.db2.gz WDERBXXNDGJEIE-MHWRWJLKSA-N 0 0 369.446 2.616 50 10 FFCARN COc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OC ZINC000014011280 506962847 /nfs/dbraw/zinc/96/28/47/506962847.db2.gz BKTPRQFVVNUGJZ-UITAMQMPSA-N 0 0 360.254 2.955 50 10 FFCARN O=C1/C(=C/c2ccsc2)SC(=S)N1CCCN1CCOCC1 ZINC000014141395 506971811 /nfs/dbraw/zinc/97/18/11/506971811.db2.gz URPJSMAFXSOHRE-RAXLEYEMSA-N 0 0 354.522 2.672 50 10 FFCARN CC[C@H](C)N1C(=O)C(=CNc2ccc(N(CC)CC)cc2)C(=O)NC1=S ZINC000017247897 507119075 /nfs/dbraw/zinc/11/90/75/507119075.db2.gz CDRHGIBNBRZWCX-HKJJFUAXSA-N 0 0 374.510 2.870 50 10 FFCARN CCOc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccccc3C)=N2)cc1 ZINC000020925013 507236985 /nfs/dbraw/zinc/23/69/85/507236985.db2.gz XLFKCMHCQOKULD-QGZVFWFLSA-N 0 0 351.406 2.741 50 10 FFCARN Nc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000071769705 507714067 /nfs/dbraw/zinc/71/40/67/507714067.db2.gz VYVLDWWHTAWXLD-UHFFFAOYSA-N 0 0 368.418 2.717 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000000651929 524420876 /nfs/dbraw/zinc/42/08/76/524420876.db2.gz UERSMAUGOHKMNG-UHFFFAOYSA-N 0 0 356.422 2.675 50 10 FFCARN COc1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004881741 536686370 /nfs/dbraw/zinc/68/63/70/536686370.db2.gz OKVWZJBNIRJTPE-UHFFFAOYSA-N 0 0 356.382 2.958 50 10 FFCARN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3OC)CC2)cc1 ZINC000007380949 536688476 /nfs/dbraw/zinc/68/84/76/536688476.db2.gz BSDMZFNUASWCKQ-INIZCTEOSA-N 0 0 370.449 2.820 50 10 FFCARN COc1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000001225842 1014465251 /nfs/dbraw/zinc/46/52/51/1014465251.db2.gz HYPRUHBRBDARAD-PTNGSMBKSA-N 0 0 366.373 2.712 50 10 FFCARN CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015659292 1021938830 /nfs/dbraw/zinc/93/88/30/1021938830.db2.gz KNIYTMDMZGATPO-BOPFTXTBSA-N 0 0 367.380 2.554 50 10 FFCARN CCN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(CC)C1=S ZINC000001139727 219378853 /nfs/dbraw/zinc/37/88/53/219378853.db2.gz IIPUOUJEJQNUBW-UHFFFAOYSA-N 0 0 357.479 2.666 50 10 FFCARN CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCC(C(N)=O)CC1 ZINC000002301740 206909024 /nfs/dbraw/zinc/90/90/24/206909024.db2.gz ZHFKLYWIRJJUDV-QURGRASLSA-N 0 0 361.377 2.680 50 10 FFCARN Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000004499088 207023046 /nfs/dbraw/zinc/02/30/46/207023046.db2.gz JTWNHYLYWREOHJ-UHFFFAOYSA-N 0 0 355.369 2.667 50 10 FFCARN CCOc1cc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)ccc1O ZINC000004754827 207046370 /nfs/dbraw/zinc/04/63/70/207046370.db2.gz WAZRDVHQZAAHNT-VIWCAORXSA-N 0 0 362.451 2.870 50 10 FFCARN CC(=O)Nc1ccc(S(=O)(=O)NN=c2[nH]c3ccccc3s2)cc1 ZINC000006022556 207126307 /nfs/dbraw/zinc/12/63/07/207126307.db2.gz VOXLUBCUOMYDDZ-UHFFFAOYSA-N 0 0 362.436 2.560 50 10 FFCARN CCN(CC)c1ccc(CN(C(=O)C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000006517558 207144012 /nfs/dbraw/zinc/14/40/12/207144012.db2.gz YNAWIGYMGOLMQX-SFHVURJKSA-N 0 0 366.527 2.705 50 10 FFCARN CCN1C(=O)/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S ZINC000007980540 207213601 /nfs/dbraw/zinc/21/36/01/207213601.db2.gz XKSARUVSMSPZFE-MDWZMJQESA-N 0 0 367.448 2.850 50 10 FFCARN N=C1/C(=C/c2ccco2)C(=O)N=C2SC(COc3ccccc3)=NN21 ZINC000030828554 208005625 /nfs/dbraw/zinc/00/56/25/208005625.db2.gz SDQYDQLTQHGPBG-CRFANRBNSA-N 0 0 352.375 2.978 50 10 FFCARN CCOC(=O)CNC1=C2Sc3ncnc(OC)c3N=C2CC(C)(C)C1 ZINC000036123178 208149856 /nfs/dbraw/zinc/14/98/56/208149856.db2.gz MWAIDWRTNDJPCX-UHFFFAOYSA-N 0 0 362.455 2.848 50 10 FFCARN Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)C(=O)N3C)c(C)n1-c1ccccc1 ZINC000095375363 209037440 /nfs/dbraw/zinc/03/74/40/209037440.db2.gz KNECCJWTOPDNDY-FUHWJXTLSA-N 0 0 351.450 2.787 50 10 FFCARN Cc1nc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000096793784 132377789 /nfs/dbraw/zinc/37/77/89/132377789.db2.gz OVHXZZASMJZKQO-YVMONPNESA-N 0 0 357.479 2.960 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000001124114 132380303 /nfs/dbraw/zinc/38/03/03/132380303.db2.gz OTEYXHOCWMRWMU-UHFFFAOYSA-N 0 0 371.393 2.574 50 10 FFCARN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCCCCC3)cc2)C1 ZINC000057146744 136128287 /nfs/dbraw/zinc/12/82/87/136128287.db2.gz GNMTVVMVBDWOHC-SFHVURJKSA-N 0 0 372.513 2.864 50 10 FFCARN COc1ccc(N2CCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000057548205 136129684 /nfs/dbraw/zinc/12/96/84/136129684.db2.gz UXFHNHSZCVRFML-QGZVFWFLSA-N 0 0 365.477 2.795 50 10 FFCARN COC(=O)C1=CN(c2ccc(F)cc2)c2ccc(F)cc2S1(=O)=O ZINC000064979244 136134234 /nfs/dbraw/zinc/13/42/34/136134234.db2.gz STROKLPUPJMIHO-UHFFFAOYSA-N 0 0 351.330 2.905 50 10 FFCARN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068462517 136137830 /nfs/dbraw/zinc/13/78/30/136137830.db2.gz FQISAPCALQRNBH-INIZCTEOSA-N 0 0 360.479 2.871 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCO4)[C@H](C)C2)cc1 ZINC000072478290 136149519 /nfs/dbraw/zinc/14/95/19/136149519.db2.gz JUVPWOFMRKORFX-OAHLLOKOSA-N 0 0 352.434 2.981 50 10 FFCARN CC[C@H](CO)Nc1nc2c(ncn2C(C)C)c(NCc2ccccc2O)n1 ZINC000012504456 263371316 /nfs/dbraw/zinc/37/13/16/263371316.db2.gz NDUVSANREQEDRE-CQSZACIVSA-N 0 0 370.457 2.908 50 10 in-vivo FFCARN CCOc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(Br)cc1O ZINC000001134038 506250193 /nfs/dbraw/zinc/25/01/93/506250193.db2.gz MPHVCMYLXAQQBE-UHFFFAOYSA-N 0 0 371.183 2.773 50 10 FFCARN COC(=O)CCc1c(C)c2ccc([O-])c(C[NH2+]Cc3ccco3)c2oc1=O ZINC000008879296 506671245 /nfs/dbraw/zinc/67/12/45/506671245.db2.gz NUZATEBDILGDOS-UHFFFAOYSA-N 0 0 371.389 2.795 50 10 biogenic FFCARN CC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000010435034 506742619 /nfs/dbraw/zinc/74/26/19/506742619.db2.gz NTFFROFRCBNECW-UHFFFAOYSA-N 0 0 357.431 2.786 50 10 FFCARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C[C@H]1CCCO1 ZINC000013547358 506943118 /nfs/dbraw/zinc/94/31/18/506943118.db2.gz QKLNJZAWYXBNRE-YFBAIUBQSA-N 0 0 350.421 2.975 50 10 FFCARN CCSC1=NSC2=NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(=N)N12 ZINC000020114683 507213674 /nfs/dbraw/zinc/21/36/74/507213674.db2.gz MSZIQXXBEWLZMD-DDADGOEASA-N 0 0 361.408 2.925 50 10 FFCARN CC(C)n1cnnc1CN(C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065427294 535108715 /nfs/dbraw/zinc/10/87/15/535108715.db2.gz OGUBAGLVAHYNFY-UHFFFAOYSA-N 0 0 357.458 2.689 50 10 FFCARN COc1ccc(N2CCN([C@@H](C)C(=O)NC3CCC(C)CC3)CC2)cc1 ZINC000042290165 536700260 /nfs/dbraw/zinc/70/02/60/536700260.db2.gz FRXKGCHCROEVSN-ADKAHSJRSA-N 0 0 359.514 2.901 50 10 FFCARN CCOC(=O)c1ccc(N=CC2C(=O)OC3(CCCCC3)OC2=O)cc1 ZINC000100802551 209217792 /nfs/dbraw/zinc/21/77/92/209217792.db2.gz MQPIFLDFZUCYGW-UHFFFAOYSA-N 0 0 359.378 2.920 50 10 FFCARN COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000000842973 206839304 /nfs/dbraw/zinc/83/93/04/206839304.db2.gz GGILMKGWWCUWHR-YBEGLDIGSA-N 0 0 357.406 2.802 50 10 FFCARN COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(Cl)cc3)=N2)cc1 ZINC000006817811 207169056 /nfs/dbraw/zinc/16/90/56/207169056.db2.gz BTRPMKNVOQTIHZ-HNNXBMFYSA-N 0 0 357.797 2.696 50 10 FFCARN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC1CC1 ZINC000006973099 207181372 /nfs/dbraw/zinc/18/13/72/207181372.db2.gz ZALAGOPTFATKNF-UHFFFAOYSA-N 0 0 359.451 2.712 50 10 FFCARN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 ZINC000012543731 207389817 /nfs/dbraw/zinc/38/98/17/207389817.db2.gz DDXIEJJZEAEKFR-INIZCTEOSA-N 0 0 357.479 2.735 50 10 FFCARN O=C1c2ccccc2C(=O)c2c(O)cc3c(nnn3Cc3ccccc3)c21 ZINC000036559043 208163761 /nfs/dbraw/zinc/16/37/61/208163761.db2.gz BRYWHZJGKCBOOV-UHFFFAOYSA-N 0 0 355.353 2.961 50 10 FFCARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(O)c(O)c1 ZINC000079192495 208235442 /nfs/dbraw/zinc/23/54/42/208235442.db2.gz PKZNSRKLSOZQBD-QAPCUYQASA-N 0 0 368.341 2.660 50 10 biogenic FFCARN COc1cccc(-n2c(C)cc(C(=O)N3CCCC[C@@H]3CC(N)=O)c2C)c1 ZINC000065491352 208683664 /nfs/dbraw/zinc/68/36/64/208683664.db2.gz ODLHQARCBTYSGG-MRXNPFEDSA-N 0 0 369.465 2.973 50 10 FFCARN CCc1ncc(C(=O)N2CCN(c3ccc(OC)cc3)C(C)(C)C2)cn1 ZINC000091326332 132201334 /nfs/dbraw/zinc/20/13/34/132201334.db2.gz XAILTVGAHHLEDJ-UHFFFAOYSA-N 0 0 354.454 2.789 50 10 FFCARN O=C1C(=Cc2ccc(N3CCOCC3)cc2)NC(=S)N1C1CCCCC1 ZINC000001106913 132380127 /nfs/dbraw/zinc/38/01/27/132380127.db2.gz YLZQQCVETBXAPQ-JXAWBTAJSA-N 0 0 371.506 2.914 50 10 FFCARN C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000055531445 136126784 /nfs/dbraw/zinc/12/67/84/136126784.db2.gz ZENIBQWJSJDQCH-LZWOXQAQSA-N 0 0 350.434 2.625 50 10 FFCARN Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000069725280 136138166 /nfs/dbraw/zinc/13/81/66/136138166.db2.gz YDVZOVXQWGLVKO-KRWDZBQOSA-N 0 0 353.470 2.679 50 10 FFCARN O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCC1 ZINC000001217358 506256554 /nfs/dbraw/zinc/25/65/54/506256554.db2.gz SDJMTWKZFMHWQN-ZRDIBKRKSA-N 0 0 352.506 2.962 50 10 FFCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1cn2cc(Cl)ccc2n1 ZINC000065229834 506270995 /nfs/dbraw/zinc/27/09/95/506270995.db2.gz BROYBMUIROVGKO-UHFFFAOYSA-N 0 0 370.840 2.754 50 10 FFCARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1 ZINC000003210706 506313419 /nfs/dbraw/zinc/31/34/19/506313419.db2.gz OKBPBDRXMIFKLW-UHFFFAOYSA-N 0 0 373.346 2.618 50 10 FFCARN CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000032956472 506318736 /nfs/dbraw/zinc/31/87/36/506318736.db2.gz FRWPQDMHTGPVIB-UHFFFAOYSA-N 0 0 371.412 2.512 50 10 FFCARN COc1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000012534722 506874779 /nfs/dbraw/zinc/87/47/79/506874779.db2.gz GDHWZZAZXOCODL-UHFFFAOYSA-N 0 0 354.450 2.733 50 10 FFCARN CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)CC1 ZINC000013750396 506954828 /nfs/dbraw/zinc/95/48/28/506954828.db2.gz BFNQQNTUNOZZEF-ATVHPVEESA-N 0 0 357.479 2.944 50 10 FFCARN Oc1ccccc1CN1CCc2nc[nH]c2[C@@H]1c1cccn1-c1ncccn1 ZINC000067803889 507012362 /nfs/dbraw/zinc/01/23/62/507012362.db2.gz ZZELARHTJOGBPD-FQEVSTJZSA-N 0 0 372.432 2.844 50 10 FFCARN CN(C)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000015134797 507022006 /nfs/dbraw/zinc/02/20/06/507022006.db2.gz KLMOUSILBLEOBR-UHFFFAOYSA-N 0 0 368.433 2.803 50 10 FFCARN CCN1CC[NH+](Cc2c([O-])ccc(C(=O)Cc3ccccc3)c2O)CC1 ZINC000022854482 507315818 /nfs/dbraw/zinc/31/58/18/507315818.db2.gz LKZFDIOFNMMVIA-UHFFFAOYSA-N 0 0 354.450 2.661 50 10 FFCARN Cc1cccc(C(=O)N[C@H](C)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000069772642 507555843 /nfs/dbraw/zinc/55/58/43/507555843.db2.gz YWFRYUUOZOPJOA-MRXNPFEDSA-N 0 0 353.466 2.838 50 10 FFCARN C[C@@H](C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)N1CCOCC1 ZINC000069919122 507581978 /nfs/dbraw/zinc/58/19/78/507581978.db2.gz APFPNDBYIXYINA-KRWDZBQOSA-N 0 0 359.514 2.792 50 10 FFCARN Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000030873575 507814159 /nfs/dbraw/zinc/81/41/59/507814159.db2.gz SABFDMDCOHQELP-KRWDZBQOSA-N 0 0 354.450 2.915 50 10 FFCARN CCN(CC)c1ccc(CN2C(=O)N[C@@H]([C@@H]3CCCOC3)C2=O)cc1F ZINC000170613963 509681923 /nfs/dbraw/zinc/68/19/23/509681923.db2.gz QMBLJWSJPLOZIN-PBHICJAKSA-N 0 0 363.433 2.519 50 10 FFCARN COc1ccc(N2CCN(C(=O)C(=O)c3c[nH]c4ccccc43)CC2)cc1 ZINC000004062318 536677172 /nfs/dbraw/zinc/67/71/72/536677172.db2.gz UIWGYPIRMQVQFH-UHFFFAOYSA-N 0 0 363.417 2.708 50 10 FFCARN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101113871 570816921 /nfs/dbraw/zinc/81/69/21/570816921.db2.gz YOFPDEFRAZRDMB-NTEUORMPSA-N 0 0 351.341 2.714 50 10 FFCARN COCc1nc(CCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC000169768160 984958763 /nfs/dbraw/zinc/95/87/63/984958763.db2.gz OADVWNKHTULRTL-UHFFFAOYSA-N 0 0 354.410 2.596 50 10 FFCARN Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccccn1 ZINC000101474239 209226076 /nfs/dbraw/zinc/22/60/76/209226076.db2.gz RWWSEAMNSHBSPO-HOTGVXAUSA-N 0 0 363.417 2.623 50 10 FFCARN COCCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000097514229 209183828 /nfs/dbraw/zinc/18/38/28/209183828.db2.gz WVGRTCNNQFHEKD-AWEZNQCLSA-N 0 0 371.437 2.960 50 10 FFCARN CC(=O)N1[C@H](C(=O)NCc2ccc(C)cc2)CS[C@@H]1c1ccccc1O ZINC000004699323 207039660 /nfs/dbraw/zinc/03/96/60/207039660.db2.gz PIISJDXTMDICLB-FXAWDEMLSA-N 0 0 370.474 2.980 50 10 FFCARN CCOc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)ccc1O ZINC000004917045 207062221 /nfs/dbraw/zinc/06/22/21/207062221.db2.gz HHXYFFIPIUBDDR-NJCCHOHYSA-N 0 0 362.436 2.731 50 10 FFCARN O=C1NC(=S)N(C2CC2)C(=O)C1=CNNc1cccc2ccccc21 ZINC000005092921 207079739 /nfs/dbraw/zinc/07/97/39/207079739.db2.gz OZFNMQQKZASEPI-GXDHUFHOSA-N 0 0 352.419 2.886 50 10 aggregator FFCARN CCNc1nc2nnc(SCCOc3ccccc3)n2c(NCC)n1 ZINC000007777611 207206143 /nfs/dbraw/zinc/20/61/43/207206143.db2.gz QSHQSOUFIJUTNT-UHFFFAOYSA-N 0 0 359.459 2.554 50 10 FFCARN Cc1cc(C(=O)CSc2nc(N)n[nH]2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000008728693 207245503 /nfs/dbraw/zinc/24/55/03/207245503.db2.gz SXZFTLLRVHKZKQ-UHFFFAOYSA-N 0 0 372.410 2.678 50 10 FFCARN COc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000014361504 207517544 /nfs/dbraw/zinc/51/75/44/207517544.db2.gz ZTYUXLULOFUBKR-UVTDQMKNSA-N 0 0 362.476 2.519 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 ZINC000002627968 132383827 /nfs/dbraw/zinc/38/38/27/132383827.db2.gz CXJPCSSCTHHOGZ-UHFFFAOYSA-N 0 0 364.401 2.764 50 10 FFCARN COc1ccc(N2CCN([C@H](C)C(=O)NCC3CCCCC3)CC2)cc1 ZINC000058161255 136130585 /nfs/dbraw/zinc/13/05/85/136130585.db2.gz SMFJOPNZQOBSJL-QGZVFWFLSA-N 0 0 359.514 2.902 50 10 FFCARN COc1cccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(C)=O)c1O ZINC000000755790 506230912 /nfs/dbraw/zinc/23/09/12/506230912.db2.gz ZGIUHEUVKWISBZ-LJQANCHMSA-N 0 0 357.406 2.912 50 10 FFCARN Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 ZINC000001476280 506263549 /nfs/dbraw/zinc/26/35/49/506263549.db2.gz SPJZNIKEJUETGW-UVTDQMKNSA-N 0 0 355.444 2.936 50 10 FFCARN CC(C)CCNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O ZINC000065239713 506274079 /nfs/dbraw/zinc/27/40/79/506274079.db2.gz XXQLCASKCXAOEA-UHFFFAOYSA-N 0 0 352.431 2.587 50 10 FFCARN CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(C)C1=O ZINC000002930804 506301631 /nfs/dbraw/zinc/30/16/31/506301631.db2.gz CQVHHFXWZOZTGX-UHFFFAOYSA-N 0 0 350.374 2.699 50 10 FFCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N[C@H](C)c1ccccc1 ZINC000004089795 506358642 /nfs/dbraw/zinc/35/86/42/506358642.db2.gz DBEZPPYUXRLUJL-GFCCVEGCSA-N 0 0 353.374 2.933 50 10 biogenic FFCARN COc1ccc(N2CCN([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000013110232 506928494 /nfs/dbraw/zinc/92/84/94/506928494.db2.gz TVJMMSPQHGUNHP-FGTMMUONSA-N 0 0 359.514 2.710 50 10 FFCARN COc1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000015786092 507060143 /nfs/dbraw/zinc/06/01/43/507060143.db2.gz VSVSSGBGQGQXPH-KRWDZBQOSA-N 0 0 352.434 2.595 50 10 FFCARN COC(=O)c1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000016732168 507104969 /nfs/dbraw/zinc/10/49/69/507104969.db2.gz OYLWTWFYWDWYPK-OZYJXZHSSA-N 0 0 363.460 2.853 50 10 FFCARN COc1ccccc1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000025987647 507549709 /nfs/dbraw/zinc/54/97/09/507549709.db2.gz QDZNBEYDCZYKLU-UHFFFAOYSA-N 0 0 369.465 2.873 50 10 FFCARN CN(C)c1ccc([C@H](CNC(=O)c2cccs2)N2CCOCC2)cc1 ZINC000020603871 522248615 /nfs/dbraw/zinc/24/86/15/522248615.db2.gz OYJDSGBQCGIASR-KRWDZBQOSA-N 0 0 359.495 2.617 50 10 FFCARN COc1ccc(N2CCN(C(=O)COC(=O)c3sccc3C)CC2)cc1 ZINC000003555427 536682659 /nfs/dbraw/zinc/68/26/59/536682659.db2.gz 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O=C(Cc1cccc(F)c1)N1CCOc2ccc(N3CCOCC3)cc2C1 ZINC000575314674 519584401 /nfs/dbraw/zinc/58/44/01/519584401.db2.gz QSCQWYRAGGLJPF-UHFFFAOYSA-N 0 0 370.424 2.626 50 10 FFCARN CCCNC(=O)c1csc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000075509745 535155269 /nfs/dbraw/zinc/15/52/69/535155269.db2.gz TYEVOFIYEJNBNL-UHFFFAOYSA-N 0 0 360.483 2.618 50 10 FFCARN CCOc1ccccc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000055060296 535524154 /nfs/dbraw/zinc/52/41/54/535524154.db2.gz PIXGJUOWUKNNFD-UHFFFAOYSA-N 0 0 369.465 2.855 50 10 FFCARN COCCc1nc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)no1 ZINC001506398830 1059491838 /nfs/dbraw/zinc/49/18/38/1059491838.db2.gz UYGBKYOMVKJRFV-UHFFFAOYSA-N 0 0 356.470 2.506 50 10 FFCARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1O ZINC000000625749 210251447 /nfs/dbraw/zinc/25/14/47/210251447.db2.gz YZWYLKSXEJBAJF-KRWDZBQOSA-N 0 0 353.378 2.667 50 10 FFCARN O=C(CN1C(=O)CSC1=S)N1CCS[C@H](c2cccs2)CC1 ZINC000219518475 222702799 /nfs/dbraw/zinc/70/27/99/222702799.db2.gz ZAAWJXREHFIQDT-NSHDSACASA-N 0 0 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BAHPHFIJDPDOJC-UHFFFAOYSA-O 0 0 363.484 2.700 50 10 FFCARN N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(c3ccncc3)=NN21 ZINC000005397137 506439638 /nfs/dbraw/zinc/43/96/38/506439638.db2.gz SQUZLGYMAZHUNB-KOKPZHPOSA-N 0 0 351.366 2.888 50 10 FFCARN O=c1oc2c(ccc([O-])c2C[NH2+]CCCn2ccnc2)c2c1CCCC2 ZINC000038776057 506444456 /nfs/dbraw/zinc/44/44/56/506444456.db2.gz GLIDINLPCWRXKP-UHFFFAOYSA-N 0 0 353.422 2.754 50 10 FFCARN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000042117914 506598495 /nfs/dbraw/zinc/59/84/95/506598495.db2.gz YAMIULILAHKGSH-SFHVURJKSA-N 0 0 364.445 2.892 50 10 FFCARN O=C1/C(=C/c2cc3ccccc3[nH]c2=O)SC(=S)N1C[C@H]1CCCO1 ZINC000008767054 506667436 /nfs/dbraw/zinc/66/74/36/506667436.db2.gz IDJUILAYKHPIHS-MLJKTZRHSA-N 0 0 372.471 2.908 50 10 FFCARN CN(C)c1ccc(CNC(=O)CN2c3ccccc3CCCC2=O)cc1 ZINC000020532620 522189867 /nfs/dbraw/zinc/18/98/67/522189867.db2.gz BGEFMLRXVLTEGA-UHFFFAOYSA-N 0 0 351.450 2.738 50 10 FFCARN CSC1=S=C(c2ccccc2)c2nc(=O)c(-c3ccccc3)nn21 ZINC000334157682 525344873 /nfs/dbraw/zinc/34/48/73/525344873.db2.gz GVVWPTCEDORDDC-UHFFFAOYSA-N 0 0 351.456 2.919 50 10 FFCARN CCOc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000089991137 535735505 /nfs/dbraw/zinc/73/55/05/535735505.db2.gz FJKMYXRDOUVTRI-UHFFFAOYSA-N 0 0 357.429 2.985 50 10 FFCARN CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 ZINC000048276313 570941667 /nfs/dbraw/zinc/94/16/67/570941667.db2.gz QOJMPQMESALSFM-UHFFFAOYSA-N 0 0 357.429 2.831 50 10 FFCARN CN1CC[NH+](Cc2c([O-])ccc3c(-c4ccccc4)cc(=O)oc32)CC1 ZINC000019361343 210235906 /nfs/dbraw/zinc/23/59/06/210235906.db2.gz MYODLMXVGCTVEB-UHFFFAOYSA-N 0 0 350.418 2.913 50 10 biogenic FFCARN CC[C@@H](C(=O)OC)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000001011322 219352815 /nfs/dbraw/zinc/35/28/15/219352815.db2.gz DEKRNPNOBWXXPT-VWLVURMCSA-N 0 0 351.449 2.848 50 10 FFCARN CCN1c2ccccc2/C(=C2/SC(=S)N(CCCOC)C2=O)C1=O ZINC000013590978 211042222 /nfs/dbraw/zinc/04/22/22/211042222.db2.gz JNCIAHUGNMSHOQ-YPKPFQOOSA-N 0 0 362.476 2.661 50 10 FFCARN CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(OC(C)=O)cc2)S1 ZINC000012859909 211000759 /nfs/dbraw/zinc/00/07/59/211000759.db2.gz WZXDTGAMXTVSDJ-MDWZMJQESA-N 0 0 365.432 2.879 50 10 FFCARN CCOCCCNC(=O)CSc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000012249837 210933413 /nfs/dbraw/zinc/93/34/13/210933413.db2.gz YSXCCNPTDYGQSM-UHFFFAOYSA-N 0 0 368.480 2.856 50 10 FFCARN O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000004262929 210519967 /nfs/dbraw/zinc/51/99/67/210519967.db2.gz QLOWRQGENQBSNC-UHFFFAOYSA-N 0 0 355.415 2.637 50 10 FFCARN CCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000065169567 221174719 /nfs/dbraw/zinc/17/47/19/221174719.db2.gz OIXYIKPPFICDNY-HXUWFJFHSA-N 0 0 351.450 2.515 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)CN(C)CCOc2ccccc2)cc1 ZINC000070011104 221329853 /nfs/dbraw/zinc/32/98/53/221329853.db2.gz DHLJWNWUAJDXLH-UHFFFAOYSA-N 0 0 355.482 2.722 50 10 FFCARN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000001034531 132379651 /nfs/dbraw/zinc/37/96/51/132379651.db2.gz HCVJBNSLOHIOFF-UHFFFAOYSA-N 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ZINC000016115968 220178513 /nfs/dbraw/zinc/17/85/13/220178513.db2.gz FARYOKAWTPICDA-ULMKDNCXSA-N 0 0 367.430 2.696 50 10 FFCARN COc1cccc(C(=O)NC2=N[C@H](c3ccc(Cl)cc3)CC(=O)N2)c1 ZINC000020530768 220331257 /nfs/dbraw/zinc/33/12/57/220331257.db2.gz KEIAZUVGGUSOJT-HNNXBMFYSA-N 0 0 357.797 2.696 50 10 FFCARN CCOc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccc(C)c3)=N2)cc1 ZINC000020530855 220332018 /nfs/dbraw/zinc/33/20/18/220332018.db2.gz AIECGSMMMCIORZ-KRWDZBQOSA-N 0 0 351.406 2.741 50 10 FFCARN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000065365096 221203453 /nfs/dbraw/zinc/20/34/53/221203453.db2.gz OFYBEQXLFAEWKT-UHFFFAOYSA-N 0 0 364.442 2.913 50 10 FFCARN COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C=O)cc(OC)c1OC ZINC000066091610 221240152 /nfs/dbraw/zinc/24/01/52/221240152.db2.gz LHTNTKILZIFPPX-INIZCTEOSA-N 0 0 356.378 2.726 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 ZINC000003560010 132385463 /nfs/dbraw/zinc/38/54/63/132385463.db2.gz MJPQDSMWCAQICP-UHFFFAOYSA-N 0 0 356.422 2.675 50 10 FFCARN COc1ccc(N2CCN([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000057548159 136129643 /nfs/dbraw/zinc/12/96/43/136129643.db2.gz TVJMMSPQHGUNHP-KZNAEPCWSA-N 0 0 359.514 2.710 50 10 FFCARN CN(C)c1ccc(/C=C\C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1 ZINC000096983328 222148272 /nfs/dbraw/zinc/14/82/72/222148272.db2.gz BYTJUYYQABDPIL-FLIBITNWSA-N 0 0 370.497 2.516 50 10 FFCARN O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004616533 263335237 /nfs/dbraw/zinc/33/52/37/263335237.db2.gz XAWWYTYFOCONCK-UHFFFAOYSA-N 0 0 351.319 2.956 50 10 in-vitro FFCARN CN(C)c1ccc(C=C2C(=O)NC(=S)N2C(=O)c2ccc(F)cc2)cc1 ZINC000001273564 506256153 /nfs/dbraw/zinc/25/61/53/506256153.db2.gz VMZMYBYLYSCORL-LFIBNONCSA-N 0 0 369.421 2.790 50 10 FFCARN O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1nccs1 ZINC000001220229 506256303 /nfs/dbraw/zinc/25/63/03/506256303.db2.gz QHVORIFPUGROMI-DHZHZOJOSA-N 0 0 361.473 2.983 50 10 FFCARN C[C@@H](NC=C1C(=O)NC(=S)N(Cc2ccccc2)C1=O)c1ccccc1 ZINC000002605189 506283878 /nfs/dbraw/zinc/28/38/78/506283878.db2.gz YURXDWHNRYVBAV-MTOJCTJASA-N 0 0 365.458 2.665 50 10 FFCARN Cc1c2ccc(O)c(O)c2oc(=O)c1CC(=O)N[C@@H](C)c1ccccc1 ZINC000004089794 506358478 /nfs/dbraw/zinc/35/84/78/506358478.db2.gz DBEZPPYUXRLUJL-LBPRGKRZSA-N 0 0 353.374 2.933 50 10 biogenic FFCARN COc1ccc(/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c(OC)c1 ZINC000004836770 506397708 /nfs/dbraw/zinc/39/77/08/506397708.db2.gz YAILXFUFRFCLQB-SGEBQPRFSA-N 0 0 362.451 2.783 50 10 FFCARN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)c1ccc[nH]1 ZINC000005452696 506444815 /nfs/dbraw/zinc/44/48/15/506444815.db2.gz IWYBWFVZLVTLFT-UHFFFAOYSA-N 0 0 359.337 2.830 50 10 FFCARN CCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CC)C1=S ZINC000005557281 506448104 /nfs/dbraw/zinc/44/81/04/506448104.db2.gz OQDKFVMEOJPHDJ-UHFFFAOYSA-N 0 0 351.859 2.940 50 10 FFCARN CCCN1C(=O)/C(=C\c2c(NCC)nc3ccccn3c2=O)SC1=S ZINC000005737945 506455980 /nfs/dbraw/zinc/45/59/80/506455980.db2.gz MEOJMNOHLIUPCT-ZRDIBKRKSA-N 0 0 374.491 2.738 50 10 FFCARN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC000039975993 506456719 /nfs/dbraw/zinc/45/67/19/506456719.db2.gz LEWAVDNKNRYHID-MRXNPFEDSA-N 0 0 369.440 2.903 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000006703721 506499227 /nfs/dbraw/zinc/49/92/27/506499227.db2.gz FTBNJAUHNOLNCT-UHFFFAOYSA-N 0 0 353.422 2.616 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)n[nH]3)CC2)cc1 ZINC000015680545 507054512 /nfs/dbraw/zinc/05/45/12/507054512.db2.gz YBEFHHIUOJPDLL-UHFFFAOYSA-N 0 0 352.394 2.641 50 10 FFCARN CS(=O)(=O)Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1Cl ZINC000170677792 509715577 /nfs/dbraw/zinc/71/55/77/509715577.db2.gz KYKDWKYZWPHGQZ-UHFFFAOYSA-N 0 0 352.843 2.648 50 10 FFCARN Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1 ZINC000020603996 524197153 /nfs/dbraw/zinc/19/71/53/524197153.db2.gz UNGGQVDBGNDFBU-OAQYLSRUSA-N 0 0 367.493 2.864 50 10 FFCARN CCOCCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055531177 535493563 /nfs/dbraw/zinc/49/35/63/535493563.db2.gz 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C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(N2CCOCC2)C1=O ZINC000013721704 220089498 /nfs/dbraw/zinc/08/94/98/220089498.db2.gz VWBNNZUBEILSRO-JASJWYONSA-N 0 0 374.487 2.842 50 10 FFCARN CCOc1cc(/C=C2\SC(=S)N(CCOC)C2=O)ccc1OC ZINC000015010770 220141024 /nfs/dbraw/zinc/14/10/24/220141024.db2.gz VZQNNVNXDKECQL-UVTDQMKNSA-N 0 0 353.465 2.942 50 10 FFCARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000018150398 220225284 /nfs/dbraw/zinc/22/52/84/220225284.db2.gz ZFKLZZIEKOQEAB-UHFFFAOYSA-N 0 0 360.479 2.737 50 10 FFCARN COc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c(OC)c1 ZINC000020605921 220336793 /nfs/dbraw/zinc/33/67/93/220336793.db2.gz YAILXFUFRFCLQB-PPCFUKRJSA-N 0 0 362.451 2.783 50 10 FFCARN CCOc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccccc3F)=N2)cc1 ZINC000020924970 220346571 /nfs/dbraw/zinc/34/65/71/220346571.db2.gz IYKAQTLMFKKBAI-MRXNPFEDSA-N 0 0 355.369 2.571 50 10 FFCARN COc1ccc(N2CCN(C(=O)[C@@H](C)Cn3cccn3)CC2(C)C)cc1 ZINC000082125845 132196411 /nfs/dbraw/zinc/19/64/11/132196411.db2.gz 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ZINC000072457893 136148673 /nfs/dbraw/zinc/14/86/73/136148673.db2.gz KUSPLTBNTSTGSU-INIZCTEOSA-N 0 0 370.497 2.978 50 10 FFCARN O=c1cc(-c2cn(Cc3ccc(CO)cc3)nn2)c2cccc3c2n1CCC3 ZINC000091831069 221802471 /nfs/dbraw/zinc/80/24/71/221802471.db2.gz WKZOCOFTRKAWIK-UHFFFAOYSA-N 0 0 372.428 2.747 50 10 FFCARN CCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CC)C1=O ZINC000001836253 506267941 /nfs/dbraw/zinc/26/79/41/506267941.db2.gz NYXKHLIHQFNBQL-ZRDIBKRKSA-N 0 0 374.491 2.738 50 10 FFCARN COc1ccc2c(c1)c1ncn(CCc3ccc(O)c(O)c3)c(=O)c1n2C ZINC000002134257 506271563 /nfs/dbraw/zinc/27/15/63/506271563.db2.gz JECNVRJCCSMBCB-UHFFFAOYSA-N 0 0 365.389 2.551 50 10 biogenic FFCARN CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000002139623 506272296 /nfs/dbraw/zinc/27/22/96/506272296.db2.gz KFSANEVZNCAVEL-QGZVFWFLSA-N 0 0 367.401 2.847 50 10 biogenic FFCARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(O)c(O)c1 ZINC000002637828 506285375 /nfs/dbraw/zinc/28/53/75/506285375.db2.gz OCOGXGOWAANEHA-UHFFFAOYSA-N 0 0 372.358 2.852 50 10 FFCARN CCOC(=O)c1c(N)oc2c1cc(O)c1c2C(=O)c2ccccc2C1=O ZINC000004039298 506355163 /nfs/dbraw/zinc/35/51/63/506355163.db2.gz DKLWZIJITJLNCL-UHFFFAOYSA-N 0 0 351.314 2.673 50 10 biogenic FFCARN COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1 ZINC000012420257 506862311 /nfs/dbraw/zinc/86/23/11/506862311.db2.gz XEPYGRXYESJAGE-ZROIWOOFSA-N 0 0 371.443 2.636 50 10 FFCARN CCOC(=O)N1CCN(Cc2c(O)c(C(=O)OC)cc3ccccc32)CC1 ZINC000012878509 506912012 /nfs/dbraw/zinc/91/20/12/506912012.db2.gz ALYFUVBPCPVZBW-UHFFFAOYSA-N 0 0 372.421 2.606 50 10 FFCARN CC[C@@H](C)N1C(=O)C(=CNc2ccc(N(CC)CC)cc2)C(=O)NC1=S ZINC000013298037 506936236 /nfs/dbraw/zinc/93/62/36/506936236.db2.gz CDRHGIBNBRZWCX-MLDYKZIASA-N 0 0 374.510 2.870 50 10 FFCARN O=C(NCC(F)F)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000073883415 507963591 /nfs/dbraw/zinc/96/35/91/507963591.db2.gz JLDANBPADPRRFN-JTQLQIEISA-N 0 0 367.318 2.976 50 10 FFCARN CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000057352163 535664022 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CCN1C(=O)C(=CNc2cccc(Br)c2)C(=O)N(CC)C1=O ZINC000005557266 219688586 /nfs/dbraw/zinc/68/85/86/219688586.db2.gz BXRQUADKUINIAA-UHFFFAOYSA-N 0 0 366.215 2.576 50 10 FFCARN O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1CCOCC1 ZINC000009422448 219879649 /nfs/dbraw/zinc/87/96/49/219879649.db2.gz DKMHAMUOOXBMIV-YVLHZVERSA-N 0 0 355.825 2.912 50 10 FFCARN O=C(NN1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccc(F)cc1 ZINC000013228289 220062131 /nfs/dbraw/zinc/06/21/31/220062131.db2.gz XBQRKTBFTRNHQX-LCYFTJDESA-N 0 0 359.407 2.767 50 10 FFCARN COc1ccc(N(CCC(N)=O)CC(=O)N(c2ccccc2)C(C)C)cc1 ZINC000014682216 220129751 /nfs/dbraw/zinc/12/97/51/220129751.db2.gz DEUZGEZQVJPGQV-UHFFFAOYSA-N 0 0 369.465 2.819 50 10 FFCARN CN1CCc2cc([C@@H](CNC(=O)C3CCCCC3)N3CCOCC3)ccc21 ZINC000022733292 220395302 /nfs/dbraw/zinc/39/53/02/220395302.db2.gz WRFMDRGRJLKJIJ-OAQYLSRUSA-N 0 0 371.525 2.749 50 10 FFCARN COc1ccc(C(N)=O)cc1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000058335717 221114098 /nfs/dbraw/zinc/11/40/98/221114098.db2.gz 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132833775 /nfs/dbraw/zinc/83/37/75/132833775.db2.gz OZMTYQZBGSNWTB-UHFFFAOYSA-N 0 0 353.422 2.616 50 10 FFCARN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000056332432 136127744 /nfs/dbraw/zinc/12/77/44/136127744.db2.gz SYLBKMJOFSHPRR-UHFFFAOYSA-N 0 0 374.372 2.892 50 10 FFCARN COCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100376404 222243060 /nfs/dbraw/zinc/24/30/60/222243060.db2.gz IGCSLMZTQIJQTB-HJWRWDBZSA-N 0 0 370.356 2.681 50 10 FFCARN CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1ccc(C(C)C)cc1 ZINC000101639468 222279614 /nfs/dbraw/zinc/27/96/14/222279614.db2.gz NRMFBUPTLSEGSS-MHWRWJLKSA-N 0 0 361.409 2.966 50 10 FFCARN O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(O)cc1 ZINC000001744801 506267833 /nfs/dbraw/zinc/26/78/33/506267833.db2.gz WFLZVRDEIRGMPX-WQLSENKSSA-N 0 0 362.457 3.000 50 10 FFCARN O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000033286011 506353547 /nfs/dbraw/zinc/35/35/47/506353547.db2.gz TZBKAEWFLHXIIN-XNTDXEJSSA-N 0 0 370.455 2.867 50 10 FFCARN CN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000004550420 506382405 /nfs/dbraw/zinc/38/24/05/506382405.db2.gz AJTRLWHFNRJCHJ-XYOKQWHBSA-N 0 0 357.347 2.952 50 10 FFCARN COc1ccc(N2CCN(C(=O)c3cc(C)nc4onc(C)c43)CC2)cc1 ZINC000036359251 506401633 /nfs/dbraw/zinc/40/16/33/506401633.db2.gz IYXCUHXYCAXCSN-UHFFFAOYSA-N 0 0 366.421 2.811 50 10 FFCARN Cc1nnc2ccc(N3N=C(C)C(=CNc4cccc(Cl)c4)C3=O)nn12 ZINC000036358198 506402388 /nfs/dbraw/zinc/40/23/88/506402388.db2.gz XVZROVRXQUFJSJ-NTEUORMPSA-N 0 0 367.800 2.805 50 10 FFCARN Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1-c1ccc(F)cc1 ZINC000007181293 506540248 /nfs/dbraw/zinc/54/02/48/506540248.db2.gz RPXJAHYCTOJTHX-UHFFFAOYSA-N 0 0 372.429 2.558 50 10 FFCARN NC(=O)C1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 ZINC000008164418 506628492 /nfs/dbraw/zinc/62/84/92/506628492.db2.gz UJJJZGXLLZHCCT-JXMROGBWSA-N 0 0 355.482 2.804 50 10 FFCARN O=C1/C(=C/c2cc3ccccc3[nH]c2=O)SC(=S)N1C[C@@H]1CCCO1 ZINC000012360304 506853620 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