smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCCSc1nccs1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120982333 728618469 /nfs/dbraw/zinc/61/84/69/728618469.db2.gz NALMSWVWCCFOQR-CJNGLKHVSA-N 0 0 355.529 2.962 10 10 FFCERN COc1cc(F)ccc1N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588408031 963725997 /nfs/dbraw/zinc/72/59/97/963725997.db2.gz WYAALFFXZVPWLU-CLTKARDFSA-N 0 0 372.396 2.608 10 10 FFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cc(F)cc(C)c32)c1 ZINC000110310344 1005924568 /nfs/dbraw/zinc/92/45/68/1005924568.db2.gz FQWVZDUXSPKSLO-AATRIKPKSA-N 0 0 353.397 2.881 10 10 FFCERN CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4nccs4)C3)ccc21 ZINC000111845380 508129535 /nfs/dbraw/zinc/12/95/35/508129535.db2.gz IMJJSFOTWFAKLS-QGZVFWFLSA-N 0 0 372.494 2.809 10 10 FFCERN COc1ccc(O)c(CNC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000117051018 508576728 /nfs/dbraw/zinc/57/67/28/508576728.db2.gz NEIZAVIWCZRNDT-UHFFFAOYSA-N 0 0 370.453 2.572 10 10 FFCERN CN1CCCc2cc(CNC(=O)N3CCC(Cn4cccn4)CC3)ccc21 ZINC000158100739 508656835 /nfs/dbraw/zinc/65/68/35/508656835.db2.gz KSPMRUXZTRWXNO-UHFFFAOYSA-N 0 0 367.497 2.887 10 10 FFCERN Cc1nc([C@H](NC(=O)c2ccc(C)c(O)c2O)c2ccccc2F)no1 ZINC000182450481 509244702 /nfs/dbraw/zinc/24/47/02/509244702.db2.gz OWPSWILMWFJQCX-CQSZACIVSA-N 0 0 357.341 2.756 10 10 FFCERN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Br)cc(F)c1[O-] ZINC000185994044 509469042 /nfs/dbraw/zinc/46/90/42/509469042.db2.gz OHSRMEZYZMZGKJ-WCBMZHEXSA-N 0 0 355.211 2.551 10 10 FFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173607460 509672401 /nfs/dbraw/zinc/67/24/01/509672401.db2.gz BKHLLWMJUPKXIY-GOSISDBHSA-N 0 0 365.437 2.734 10 10 FFCERN COC(=O)[C@H](C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178276191 510522663 /nfs/dbraw/zinc/52/26/63/510522663.db2.gz AQJRHGQMIPDTTL-CHWSQXEVSA-N 0 0 370.396 2.572 10 10 FFCERN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)c(F)c1[O-] ZINC000191221852 510556010 /nfs/dbraw/zinc/55/60/10/510556010.db2.gz YDMOYSWSLAEIMY-SJKOYZFVSA-N 0 0 358.454 2.529 10 10 FFCERN O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@@H](N2CCCC2)C1 ZINC000175338692 510597592 /nfs/dbraw/zinc/59/75/92/510597592.db2.gz WMSKZSCXTCIMBK-OAHLLOKOSA-N 0 0 374.440 2.772 10 10 FFCERN Cc1cc(N(C)C)ccc1CNc1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301264879 511692528 /nfs/dbraw/zinc/69/25/28/511692528.db2.gz GGUVZRXLYXSVIM-UHFFFAOYSA-N 0 0 353.382 2.589 10 10 FFCERN O=c1c([N+](=O)[O-])c(NCCCSc2nccs2)nc2ccccn21 ZINC000301259376 511693500 /nfs/dbraw/zinc/69/35/00/511693500.db2.gz GKVYKQZQSIKPGD-UHFFFAOYSA-N 0 0 363.424 2.654 10 10 FFCERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000109184476 534749374 /nfs/dbraw/zinc/74/93/74/534749374.db2.gz FWLANLHGCNEJAF-HNNXBMFYSA-N 0 0 367.449 2.973 10 10 FFCERN COc1ccc(N2CCOC[C@@]3(CCCN(c4cnccn4)C3)C2)cc1 ZINC000096076768 536706518 /nfs/dbraw/zinc/70/65/18/536706518.db2.gz KKXIRYQYBDXIIK-FQEVSTJZSA-N 0 0 354.454 2.609 10 10 FFCERN O=C(NCCCSc1nccs1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120982653 728618486 /nfs/dbraw/zinc/61/84/86/728618486.db2.gz NALMSWVWCCFOQR-BBRMVZONSA-N 0 0 355.529 2.962 10 10 FFCERN COc1cc2c(c(OC)c1OC)C(=O)c1c(OC)cc(C)c(OC)c1C2=O ZINC000014647395 506996397 /nfs/dbraw/zinc/99/63/97/506996397.db2.gz NRXJDKFFCIMSHF-UHFFFAOYSA-N 0 0 372.373 2.813 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000171016287 509891627 /nfs/dbraw/zinc/89/16/27/509891627.db2.gz LTGPAMYOBDRPJE-UHFFFAOYSA-N 0 0 356.474 2.671 10 10 FFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000174919325 510386123 /nfs/dbraw/zinc/38/61/23/510386123.db2.gz RAPFHWJRGYKTQM-BVBGJJFLSA-N 0 0 370.409 2.955 10 10 FFCERN CCOc1ccc(-n2c(C)cc(C(=O)CSC[C@@H](O)CO)c2C)cc1 ZINC000177435866 729136711 /nfs/dbraw/zinc/13/67/11/729136711.db2.gz DVRWIXXPIOSXKX-INIZCTEOSA-N 0 0 363.479 2.762 10 10 FFCERN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(OC(C)C)cc2)c1 ZINC000588591468 967990942 /nfs/dbraw/zinc/99/09/42/967990942.db2.gz CRDLRJFQBBMMSB-YHYXMXQVSA-N 0 0 353.422 2.905 10 10 FFCERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000588612737 968148176 /nfs/dbraw/zinc/14/81/76/968148176.db2.gz KZCKWFSPPOIWIE-FHMRSRPSSA-N 0 0 372.387 2.890 10 10 FFCERN COc1ccc(O)c([C@@H](C)NC(=O)NC2CCN(c3ccccn3)CC2)c1 ZINC000103512576 1003066255 /nfs/dbraw/zinc/06/62/55/1003066255.db2.gz QBPDOLKXFFDIOD-CQSZACIVSA-N 0 0 370.453 2.825 10 10 FFCERN COc1ccc(N2CCC(NC(=O)NCc3cccc(OC)n3)CC2)cc1 ZINC000102564296 1003904430 /nfs/dbraw/zinc/90/44/30/1003904430.db2.gz ZCMLFJSPDALSFI-UHFFFAOYSA-N 0 0 370.453 2.567 10 10 FFCERN Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(N)C1=O ZINC000003071231 204077090 /nfs/dbraw/zinc/07/70/90/204077090.db2.gz OPDZSEHTGXTSQW-YRNVUSSQSA-N 0 0 350.856 2.909 10 10 FFCERN CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000040884913 205083918 /nfs/dbraw/zinc/08/39/18/205083918.db2.gz XDRRBYAUHASTRR-XFXZXTDPSA-N 0 0 366.420 2.749 10 10 FFCERN Cc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)n1-c1ccccn1 ZINC000109679503 507980672 /nfs/dbraw/zinc/98/06/72/507980672.db2.gz JXMYHKRBQGPGFB-INIZCTEOSA-N 0 0 350.426 2.558 10 10 FFCERN CC(C)[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000156404017 508415534 /nfs/dbraw/zinc/41/55/34/508415534.db2.gz SWBDHRLWRLFCQH-MRXNPFEDSA-N 0 0 374.403 2.565 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000156412272 508417075 /nfs/dbraw/zinc/41/70/75/508417075.db2.gz OTUJCCZWQOGVBZ-SECBINFHSA-N 0 0 369.343 2.564 10 10 FFCERN Cc1cc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(C)n1-c1ccccn1 ZINC000127772552 508498142 /nfs/dbraw/zinc/49/81/42/508498142.db2.gz QSFFCFKSWAYOIT-KRWDZBQOSA-N 0 0 364.453 2.633 10 10 FFCERN Cc1cc(Br)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O ZINC000180128078 509768212 /nfs/dbraw/zinc/76/82/12/509768212.db2.gz MIKLFXRJWQNUSB-HNNXBMFYSA-N 0 0 366.259 2.561 10 10 FFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000171987170 510487172 /nfs/dbraw/zinc/48/71/72/510487172.db2.gz RGPVPXKCSTWTLW-PZJWPPBQSA-N 0 0 365.477 2.979 10 10 FFCERN COC(=O)/C=C/c1ccc(N2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000301206936 511689653 /nfs/dbraw/zinc/68/96/53/511689653.db2.gz ZQSVGYDPTTZEPW-VFADXPBXSA-N 0 0 356.382 2.819 10 10 FFCERN O=C1/C(=C/c2ccc(Cl)s2)SC(=S)N1CCN1CCOCC1 ZINC000011092323 845016835 /nfs/dbraw/zinc/01/68/35/845016835.db2.gz UVPNEEUYCQJLCG-LUAWRHEFSA-N 0 0 374.940 2.935 10 10 FFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1COc2ccccc21 ZINC000058575659 507439226 /nfs/dbraw/zinc/43/92/26/507439226.db2.gz LARXYOKVUTXXMA-QGZVFWFLSA-N 0 0 371.412 2.595 10 10 FFCERN O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000108787723 507918370 /nfs/dbraw/zinc/91/83/70/507918370.db2.gz PLIXEADBBZLWLQ-MOTZXUDYSA-N 0 0 366.465 2.666 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000129819531 508769718 /nfs/dbraw/zinc/76/97/18/508769718.db2.gz CAOOCSHDWZFUGQ-GHTZIAJQSA-N 0 0 355.482 2.899 10 10 FFCERN O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@@]2(CCOC2)C1 ZINC000155215230 508950172 /nfs/dbraw/zinc/95/01/72/508950172.db2.gz WWBUTFGQRSWGBM-JOCHJYFZSA-N 0 0 361.397 2.715 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000120758087 509059097 /nfs/dbraw/zinc/05/90/97/509059097.db2.gz MPMDXHLRSWEUTI-OUXAZZEQSA-N 0 0 356.466 2.564 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c1O ZINC000192015296 509297972 /nfs/dbraw/zinc/29/79/72/509297972.db2.gz ZIVKJNMHBZEERY-OAHLLOKOSA-N 0 0 368.861 2.619 10 10 FFCERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173203423 509453272 /nfs/dbraw/zinc/45/32/72/509453272.db2.gz MOKGKCVNGZBMJY-CQSZACIVSA-N 0 0 368.437 2.688 10 10 FFCERN NS(=O)(=O)c1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1 ZINC000256498863 509943719 /nfs/dbraw/zinc/94/37/19/509943719.db2.gz GWESPXKLHYXRDQ-ZDUSSCGKSA-N 0 0 373.419 2.540 10 10 FFCERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N(CC)CC)cc1)CC2 ZINC000172312323 510662701 /nfs/dbraw/zinc/66/27/01/510662701.db2.gz DTSMTWBIVFSLOD-INIZCTEOSA-N 0 0 370.501 2.501 10 10 FFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccc2c(c1)CCC2 ZINC000177430326 729136782 /nfs/dbraw/zinc/13/67/82/729136782.db2.gz VRVSJKSKRQTCRW-GOSISDBHSA-N 0 0 359.491 2.852 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246765430 729590429 /nfs/dbraw/zinc/59/04/29/729590429.db2.gz PAZFBOAMBCADQM-HOTGVXAUSA-N 0 0 361.511 2.683 10 10 FFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3c(F)ccc(C)c32)c1 ZINC000110310381 1005924412 /nfs/dbraw/zinc/92/44/12/1005924412.db2.gz JUJOBGNSHDVAHR-SOFGYWHQSA-N 0 0 353.397 2.881 10 10 FFCERN COc1cc(/C=C2\SC(=S)N(NC(=O)CC(C)C)C2=O)ccc1O ZINC000003079113 204077817 /nfs/dbraw/zinc/07/78/17/204077817.db2.gz VRPIUENHRZMMPR-JYRVWZFOSA-N 0 0 366.464 2.679 10 10 FFCERN O=C1c2ccccc2C(=O)c2cc(OC[C@@H](O)CN3CCCCC3)ccc21 ZINC000004122000 204122019 /nfs/dbraw/zinc/12/20/19/204122019.db2.gz PXWCKUXFCXALLR-HNNXBMFYSA-N 0 0 365.429 2.688 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3nccs3)C2)cc1F ZINC000111845217 508129141 /nfs/dbraw/zinc/12/91/41/508129141.db2.gz YKZSSXCIMDXDAB-HNNXBMFYSA-N 0 0 364.446 2.631 10 10 FFCERN C[C@@H](N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1)c1nnc2n1CCCC2 ZINC000130794906 508847203 /nfs/dbraw/zinc/84/72/03/508847203.db2.gz MGFHBXQLBUXDCR-JKSUJKDBSA-N 0 0 369.513 2.987 10 10 FFCERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176287616 509423751 /nfs/dbraw/zinc/42/37/51/509423751.db2.gz XXSYYYXFFLSOGM-INIZCTEOSA-N 0 0 350.426 2.654 10 10 FFCERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000249151228 509623346 /nfs/dbraw/zinc/62/33/46/509623346.db2.gz HIPYEJWFUFWPSQ-FAJBIJEISA-N 0 0 360.454 2.650 10 10 FFCERN CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000171987172 510486952 /nfs/dbraw/zinc/48/69/52/510486952.db2.gz RGPVPXKCSTWTLW-FPOVZHCZSA-N 0 0 365.477 2.979 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCSc1nccs1 ZINC000154460016 728804812 /nfs/dbraw/zinc/80/48/12/728804812.db2.gz PQTHSZZESDBZJZ-LLVKDONJSA-N 0 0 366.516 2.614 10 10 FFCERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000154573698 728807493 /nfs/dbraw/zinc/80/74/93/728807493.db2.gz IVQYBKCWSSGSOW-ZDUSSCGKSA-N 0 0 370.544 2.668 10 10 FFCERN COc1ccc(N(Cc2cccs2)C[C@@H](O)CN2CCCC2=O)cc1 ZINC000157294631 728869646 /nfs/dbraw/zinc/86/96/46/728869646.db2.gz IJHOQSBDIHMSQE-INIZCTEOSA-N 0 0 360.479 2.747 10 10 FFCERN O=C(NCCCSc1nccs1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120982465 728618563 /nfs/dbraw/zinc/61/85/63/728618563.db2.gz NALMSWVWCCFOQR-XJKSGUPXSA-N 0 0 355.529 2.962 10 10 FFCERN O=C(NCc1c(O)ccc2c1CCCC2)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000901133843 735747872 /nfs/dbraw/zinc/74/78/72/735747872.db2.gz YTXLPWDRSWFUSR-GOOCMWNKSA-N 0 0 359.491 2.846 10 10 FFCERN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Oc3c(Cl)cccc32)c1 ZINC000588574428 967389531 /nfs/dbraw/zinc/38/95/31/967389531.db2.gz KWNZTHAIIVKMPS-DGMVEKRQSA-N 0 0 371.824 2.922 10 10 FFCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000588612738 968148156 /nfs/dbraw/zinc/14/81/56/968148156.db2.gz KZCKWFSPPOIWIE-KTLBGCOUSA-N 0 0 372.387 2.890 10 10 FFCERN COC(=O)CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000040938696 205085298 /nfs/dbraw/zinc/08/52/98/205085298.db2.gz KLGJOFWXTJEJFP-SDNWHVSQSA-N 0 0 364.492 2.907 10 10 FFCERN COc1cccc(CNC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1O ZINC000068488823 507249010 /nfs/dbraw/zinc/24/90/10/507249010.db2.gz USJJTESZYMLUNU-GOSISDBHSA-N 0 0 370.449 2.780 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000087058882 508334241 /nfs/dbraw/zinc/33/42/41/508334241.db2.gz AIYSIBQDXNYBHN-QGZVFWFLSA-N 0 0 368.485 2.775 10 10 FFCERN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1F ZINC000124322407 508815314 /nfs/dbraw/zinc/81/53/14/508815314.db2.gz IZNYTEVFYXDUMZ-UHFFFAOYSA-N 0 0 367.402 2.816 10 10 FFCERN CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155701262 509055018 /nfs/dbraw/zinc/05/50/18/509055018.db2.gz XOMSIVQFXQAGSD-SFHVURJKSA-N 0 0 370.497 2.653 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000248154369 509249425 /nfs/dbraw/zinc/24/94/25/509249425.db2.gz YQAMGXPJYNTJSK-GOSISDBHSA-N 0 0 367.497 2.808 10 10 FFCERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176038946 509288988 /nfs/dbraw/zinc/28/89/88/509288988.db2.gz ACHQEYLBYURGPR-LJQANCHMSA-N 0 0 367.497 2.948 10 10 FFCERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176301273 509432057 /nfs/dbraw/zinc/43/20/57/509432057.db2.gz NGMIKOHXOHMKPU-FQEVSTJZSA-N 0 0 365.481 2.942 10 10 FFCERN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCOC1 ZINC000246972908 510776830 /nfs/dbraw/zinc/77/68/30/510776830.db2.gz QLWQBFSKOHKFHY-UONOGXRCSA-N 0 0 354.397 2.800 10 10 FFCERN COc1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1Br ZINC000096466293 728481156 /nfs/dbraw/zinc/48/11/56/728481156.db2.gz IFXZKICTDDWAHX-YVMONPNESA-N 0 0 355.213 2.555 10 10 FFCERN C[C@H](NC(=O)NCCCSc1nccs1)c1nnc2n1CCCC2 ZINC000120979051 728618634 /nfs/dbraw/zinc/61/86/34/728618634.db2.gz AWYHSCVAKBRZGY-NSHDSACASA-N 0 0 366.516 2.614 10 10 FFCERN CC(=O)CCC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000008066240 1013267183 /nfs/dbraw/zinc/26/71/83/1013267183.db2.gz MSLLEFPBXHTCDK-UHFFFAOYSA-N 0 0 371.389 2.918 10 10 FFCERN Cc1cc(C(=O)NCCNC(=O)c2ccccc2)c(C)n1-c1ccccn1 ZINC000106073285 995609088 /nfs/dbraw/zinc/60/90/88/995609088.db2.gz WEGWRBGGUURBOK-UHFFFAOYSA-N 0 0 362.433 2.649 10 10 FFCERN CCc1nc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000107756119 1005521503 /nfs/dbraw/zinc/52/15/03/1005521503.db2.gz YBBSBPBNZGLORY-UHFFFAOYSA-N 0 0 374.510 2.884 10 10 FFCERN CC(C)CC(=O)NN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000003079103 204078791 /nfs/dbraw/zinc/07/87/91/204078791.db2.gz LIOOSVVNYNEQOO-WQLSENKSSA-N 0 0 365.436 2.873 10 10 FFCERN COc1ccc(N2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cc1 ZINC000107087386 507834672 /nfs/dbraw/zinc/83/46/72/507834672.db2.gz GEFGPBNJWGPCAS-UHFFFAOYSA-N 0 0 364.405 2.708 10 10 FFCERN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 ZINC000130761118 508842590 /nfs/dbraw/zinc/84/25/90/508842590.db2.gz KESIDNJHIZPKQJ-HOTGVXAUSA-N 0 0 355.486 2.863 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2nc(C)no2)c1O ZINC000161006434 509059165 /nfs/dbraw/zinc/05/91/65/509059165.db2.gz RXQKZLSTNFWRDL-AWEZNQCLSA-N 0 0 351.790 2.513 10 10 FFCERN CC(C)[C@@H](O)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000161212073 509086247 /nfs/dbraw/zinc/08/62/47/509086247.db2.gz BNPCSVGKTNTYQT-BBRMVZONSA-N 0 0 356.413 2.780 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000155955225 509099597 /nfs/dbraw/zinc/09/95/97/509099597.db2.gz PYYPVLNSAQZBGI-RHSMWYFYSA-N 0 0 368.433 2.627 10 10 FFCERN CCOc1cccc(CN2CCN([C@H](C)c3nc(CC)no3)CC2)c1O ZINC000121379765 509170524 /nfs/dbraw/zinc/17/05/24/509170524.db2.gz HFXXWJGQQQNZPX-CQSZACIVSA-N 0 0 360.458 2.615 10 10 FFCERN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000185934282 509434071 /nfs/dbraw/zinc/43/40/71/509434071.db2.gz HXLLRMJPKUHEQZ-QZTJIDSGSA-N 0 0 361.486 2.526 10 10 FFCERN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Br)cc(F)c1[O-] ZINC000185994103 509469959 /nfs/dbraw/zinc/46/99/59/509469959.db2.gz OHSRMEZYZMZGKJ-SCZZXKLOSA-N 0 0 355.211 2.551 10 10 FFCERN Cc1nnc([C@@H]2CN(C(=O)c3sccc3-n3c(C)ccc3C)CCO2)[nH]1 ZINC000173526419 509641268 /nfs/dbraw/zinc/64/12/68/509641268.db2.gz DOMDDZUQOJUQKX-HNNXBMFYSA-N 0 0 371.466 2.796 10 10 FFCERN Cc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccc1 ZINC000173538196 509646321 /nfs/dbraw/zinc/64/63/21/509646321.db2.gz YLTDMEFGGIFQPB-SFHVURJKSA-N 0 0 365.437 2.734 10 10 FFCERN Cn1cc([C@H]2CCCN2C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000171360866 510105789 /nfs/dbraw/zinc/10/57/89/510105789.db2.gz VUTUZJHPGAHTTL-LJQANCHMSA-N 0 0 353.470 2.849 10 10 FFCERN CCOc1ccc(-n2c(C)cc(C(=O)CSC[C@H](O)CO)c2C)cc1 ZINC000177435854 729136754 /nfs/dbraw/zinc/13/67/54/729136754.db2.gz DVRWIXXPIOSXKX-MRXNPFEDSA-N 0 0 363.479 2.762 10 10 FFCERN CN(C)c1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)cc1F ZINC000109439001 1005827961 /nfs/dbraw/zinc/82/79/61/1005827961.db2.gz HWUVUKWCWPXGNU-CQSZACIVSA-N 0 0 359.401 2.531 10 10 FFCERN CCOC(=O)CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000040884887 205084474 /nfs/dbraw/zinc/08/44/74/205084474.db2.gz NBKAXFWIONKWJO-XFXZXTDPSA-N 0 0 366.420 2.749 10 10 FFCERN Cc1csc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092789982 508100812 /nfs/dbraw/zinc/10/08/12/508100812.db2.gz SIWLBTYVXKLYPM-SFHVURJKSA-N 0 0 359.495 2.862 10 10 FFCERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000134112723 508494263 /nfs/dbraw/zinc/49/42/63/508494263.db2.gz WGYVKPGSEOUKKE-OAHLLOKOSA-N 0 0 374.464 2.941 10 10 FFCERN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1c1ccco1)cc2=O ZINC000116296346 508495918 /nfs/dbraw/zinc/49/59/18/508495918.db2.gz RBZLGOZLCRWZOI-CQSZACIVSA-N 0 0 356.382 2.542 10 10 FFCERN COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000160365028 508976767 /nfs/dbraw/zinc/97/67/67/508976767.db2.gz SSARUYUJIGUOEQ-LLVKDONJSA-N 0 0 359.813 2.922 10 10 FFCERN Cc1nc(C[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000171445401 510163042 /nfs/dbraw/zinc/16/30/42/510163042.db2.gz HHEZFFAIOZDRKW-INIZCTEOSA-N 0 0 357.458 2.608 10 10 FFCERN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195349242 510796774 /nfs/dbraw/zinc/79/67/74/510796774.db2.gz CWZCKCQDSVPHJF-MRXNPFEDSA-N 0 0 358.511 2.705 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCCN1CCc2c(Cl)cccc2C1 ZINC000588554359 967025046 /nfs/dbraw/zinc/02/50/46/967025046.db2.gz NSZMBTLXRJPGAH-ALCCZGGFSA-N 0 0 372.852 2.939 10 10 FFCERN COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(O)c2)cc1OC ZINC000003588981 209407759 /nfs/dbraw/zinc/40/77/59/209407759.db2.gz FTDOXLKYCKOSHA-LSDHHAIUSA-N 0 0 358.390 2.689 10 10 biogenic FFCERN CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000066699012 506614282 /nfs/dbraw/zinc/61/42/82/506614282.db2.gz KIUVYSYVQKGWSR-UHFFFAOYSA-N 0 0 369.469 2.773 10 10 FFCERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000154005152 508697136 /nfs/dbraw/zinc/69/71/36/508697136.db2.gz BLDARIRAQPUZOM-AUUYWEPGSA-N 0 0 370.449 2.601 10 10 FFCERN COc1ccccc1C(=O)N[C@@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000120248815 508957854 /nfs/dbraw/zinc/95/78/54/508957854.db2.gz WSZRRMDWHOZHFQ-LJQANCHMSA-N 0 0 370.449 2.814 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1F ZINC000176505835 509550221 /nfs/dbraw/zinc/55/02/21/509550221.db2.gz IUZMWBLLMGZOEZ-HNNXBMFYSA-N 0 0 360.437 2.598 10 10 FFCERN COc1cc(O)c(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1OC ZINC000180778707 510102965 /nfs/dbraw/zinc/10/29/65/510102965.db2.gz UYVXFDQDCQNUAK-XJKSGUPXSA-N 0 0 365.376 2.996 10 10 FFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000171987169 510487360 /nfs/dbraw/zinc/48/73/60/510487360.db2.gz RGPVPXKCSTWTLW-CTNGQTDRSA-N 0 0 365.477 2.979 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000172042812 510513851 /nfs/dbraw/zinc/51/38/51/510513851.db2.gz WDQXSRMHUPLVCL-YLJYHZDGSA-N 0 0 368.433 2.627 10 10 FFCERN COc1ccc(N2CCN(c3ncnc(NC4CCCC4)c3N)CC2)cc1 ZINC000040727925 536704208 /nfs/dbraw/zinc/70/42/08/536704208.db2.gz XWTHOBTWUYHEQX-UHFFFAOYSA-N 0 0 368.485 2.749 10 10 FFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000175964730 729105458 /nfs/dbraw/zinc/10/54/58/729105458.db2.gz LUNKFVVUIKPLST-SJLPKXTDSA-N 0 0 363.527 2.590 10 10 FFCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-n2ccnn2)cc1 ZINC000588406001 963618022 /nfs/dbraw/zinc/61/80/22/963618022.db2.gz APYUJJABAPLDGP-ZCMXANCESA-N 0 0 350.378 2.569 10 10 FFCERN CC1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)CC3)cc2)CC1 ZINC000108583794 1005685214 /nfs/dbraw/zinc/68/52/14/1005685214.db2.gz AKHVONVHNHIYFY-UHFFFAOYSA-N 0 0 356.514 2.913 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000120757760 509059608 /nfs/dbraw/zinc/05/96/08/509059608.db2.gz MPMDXHLRSWEUTI-GYAHQXATSA-N 0 0 356.466 2.564 10 10 FFCERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000161552458 509128689 /nfs/dbraw/zinc/12/86/89/509128689.db2.gz NRJHWDMGXBTLTA-INIZCTEOSA-N 0 0 370.501 2.624 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000121280574 509162131 /nfs/dbraw/zinc/16/21/31/509162131.db2.gz MZFZFSVAJMKQQC-OAHLLOKOSA-N 0 0 370.501 2.973 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCO[C@H](c2ccco2)C1 ZINC000176745320 509668624 /nfs/dbraw/zinc/66/86/24/509668624.db2.gz YEVNBCUWUSQNHF-FKIZTMCRSA-N 0 0 368.433 2.730 10 10 FFCERN COc1ccc([C@@H](NC(=O)c2ccc(C)c(O)c2O)c2nccn2C)cc1 ZINC000177668042 510190367 /nfs/dbraw/zinc/19/03/67/510190367.db2.gz SRAUHLNTXNFJKW-MRXNPFEDSA-N 0 0 367.405 2.668 10 10 FFCERN CC(=O)c1cc(F)cc(CN2CCC(N(C)c3cccnn3)CC2)c1O ZINC000175644802 510710640 /nfs/dbraw/zinc/71/06/40/510710640.db2.gz BNOOAMDTNPAFOM-UHFFFAOYSA-N 0 0 358.417 2.625 10 10 FFCERN CCc1noc([C@H](C)N2CCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC000121381118 728625778 /nfs/dbraw/zinc/62/57/78/728625778.db2.gz TTZRZOIHRYERGP-LBPRGKRZSA-N 0 0 350.850 2.870 10 10 FFCERN CC(=O)c1cc(F)cc(CN2CCN(Cc3cnc(C)s3)CC2)c1O ZINC000175645012 729099192 /nfs/dbraw/zinc/09/91/92/729099192.db2.gz KCEOWIVTDQSXQV-UHFFFAOYSA-N 0 0 363.458 2.817 10 10 FFCERN O=C1c2cccc(SCCO)c2C(=O)c2cccc(SCCO)c21 ZINC000013558860 506945416 /nfs/dbraw/zinc/94/54/16/506945416.db2.gz BAZIGDDRQDOUEL-UHFFFAOYSA-N 0 0 360.456 2.631 10 10 FFCERN CN(C)c1ccc(CN(C)C(=O)NCCCNC(=O)OC(C)(C)C)cc1 ZINC000103617308 508318861 /nfs/dbraw/zinc/31/88/61/508318861.db2.gz WNOYAEURWHNINY-UHFFFAOYSA-N 0 0 364.490 2.809 10 10 FFCERN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 ZINC000130761531 508842801 /nfs/dbraw/zinc/84/28/01/508842801.db2.gz KESIDNJHIZPKQJ-JKSUJKDBSA-N 0 0 355.486 2.863 10 10 FFCERN COc1ccc([C@H](NC(=O)c2ccc(C)c(O)c2O)c2nccn2C)cc1 ZINC000177668030 510190911 /nfs/dbraw/zinc/19/09/11/510190911.db2.gz SRAUHLNTXNFJKW-INIZCTEOSA-N 0 0 367.405 2.668 10 10 FFCERN Cc1nc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2F)no1 ZINC000181086161 510271527 /nfs/dbraw/zinc/27/15/27/510271527.db2.gz LXAUUICRHYIGQT-PDFOZTTASA-N 0 0 369.352 2.847 10 10 FFCERN O=C(NCCCSc1nccs1)N1CCO[C@@H](c2nccs2)C1 ZINC000154684894 728809954 /nfs/dbraw/zinc/80/99/54/728809954.db2.gz NEFPJYKLHMUSLY-LLVKDONJSA-N 0 0 370.525 2.865 10 10 FFCERN Cc1cc(C(=O)CN2CCC(C(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000007351499 971656192 /nfs/dbraw/zinc/65/61/92/971656192.db2.gz URYSRUHNEWCPBY-UHFFFAOYSA-N 0 0 357.429 2.613 10 10 FFCERN CC1CCN(C(=O)c2ccc(N=CC3C(=O)OC(C)(C)OC3=O)cc2)CC1 ZINC000010012870 207291658 /nfs/dbraw/zinc/29/16/58/207291658.db2.gz PWGOTTUVYVXPND-UHFFFAOYSA-N 0 0 372.421 2.691 10 10 FFCERN COc1cccc(CNn2c(=O)c3ccccc3nc2-c2ccncc2)c1O ZINC000027532297 507663104 /nfs/dbraw/zinc/66/31/04/507663104.db2.gz NCPBYWPLJABWNB-UHFFFAOYSA-N 0 0 374.400 2.916 10 10 FFCERN Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000128009569 508534350 /nfs/dbraw/zinc/53/43/50/508534350.db2.gz IHFDWUYISVKQFX-IBGZPJMESA-N 0 0 351.454 2.843 10 10 FFCERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000117619570 508607560 /nfs/dbraw/zinc/60/75/60/508607560.db2.gz AIFNIBNAABCANU-VBKZILBWSA-N 0 0 370.424 2.843 10 10 FFCERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000249151230 509622708 /nfs/dbraw/zinc/62/27/08/509622708.db2.gz HIPYEJWFUFWPSQ-MTNOOBJLSA-N 0 0 360.454 2.650 10 10 FFCERN COc1cccc(CNC(=O)NC[C@@H]2CCN(C)c3ccccc32)c1O ZINC000174219833 510009108 /nfs/dbraw/zinc/00/91/08/510009108.db2.gz UVCXGNUBIRVDEF-AWEZNQCLSA-N 0 0 355.438 2.824 10 10 FFCERN C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)CO ZINC000246544389 510546063 /nfs/dbraw/zinc/54/60/63/510546063.db2.gz YJOKTQBUZBBZLH-MCIONIFRSA-N 0 0 371.428 2.573 10 10 FFCERN COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000009856982 536675532 /nfs/dbraw/zinc/67/55/32/536675532.db2.gz KLSVDGRPWFLTQE-UHFFFAOYSA-N 0 0 367.449 2.599 10 10 FFCERN Cc1cc(C(=O)CSC[C@H](O)CO)c(C)n1-c1ccc(C)c(F)c1 ZINC000177420527 729136019 /nfs/dbraw/zinc/13/60/19/729136019.db2.gz VDHCGPZDEFWHSO-OAHLLOKOSA-N 0 0 351.443 2.811 10 10 FFCERN CC(C)(C)OC(=O)NCC1([NH2+]Cc2cccc(F)c2[O-])CCOCC1 ZINC000705693170 734361109 /nfs/dbraw/zinc/36/11/09/734361109.db2.gz WFNQNPUSTZKDRP-UHFFFAOYSA-N 0 0 354.422 2.695 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000588405101 963605026 /nfs/dbraw/zinc/60/50/26/963605026.db2.gz HXRXWUAICIMPPR-SCXUMTSISA-N 0 0 360.360 2.784 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000588405530 963605278 /nfs/dbraw/zinc/60/52/78/963605278.db2.gz ZUSDSHPSOFEMHE-CLFYSBASSA-N 0 0 366.417 2.532 10 10 FFCERN CCN(CC)c1ccc(/C=C(\CN2CCC(=O)CC2)C(=O)OC)cc1F ZINC000588566266 967162237 /nfs/dbraw/zinc/16/22/37/967162237.db2.gz VKUJUOREJFEKFI-FOWTUZBSSA-N 0 0 362.445 2.893 10 10 FFCERN CN(Cc1nc(-c2ccoc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000105717473 1005136902 /nfs/dbraw/zinc/13/69/02/1005136902.db2.gz LGLHVJACWFUUAH-UHFFFAOYSA-N 0 0 354.410 2.798 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000083749819 508256834 /nfs/dbraw/zinc/25/68/34/508256834.db2.gz ZCUHMKSNFORPTE-QGZVFWFLSA-N 0 0 356.474 2.719 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000083749820 508256982 /nfs/dbraw/zinc/25/69/82/508256982.db2.gz ZCUHMKSNFORPTE-KRWDZBQOSA-N 0 0 356.474 2.719 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000087250325 508344075 /nfs/dbraw/zinc/34/40/75/508344075.db2.gz QLZCIRHDSFQUML-MRXNPFEDSA-N 0 0 356.474 2.583 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000087249825 508344090 /nfs/dbraw/zinc/34/40/90/508344090.db2.gz ATAYQJBFJKFUFJ-INIZCTEOSA-N 0 0 369.469 2.759 10 10 FFCERN Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c(C)n1-c1ccccn1 ZINC000135370513 508594977 /nfs/dbraw/zinc/59/49/77/508594977.db2.gz YWWKDTYLXHQWRT-CQSZACIVSA-N 0 0 364.453 2.908 10 10 FFCERN Nc1ccc(CNc2nc3nc[nH]c3c(NCc3ccc(N)cc3)n2)cc1 ZINC000216405996 509259747 /nfs/dbraw/zinc/25/97/47/509259747.db2.gz PJGXLSBXEPJARN-UHFFFAOYSA-N 0 0 360.425 2.742 10 10 FFCERN CCn1cc([C@H]2CN(Cc3cc(Br)ccc3O)CCO2)cn1 ZINC000191705013 510793018 /nfs/dbraw/zinc/79/30/18/510793018.db2.gz FGXZECFYMXTROP-MRXNPFEDSA-N 0 0 366.259 2.945 10 10 FFCERN CC[C@H](O)CN1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000106394126 728510825 /nfs/dbraw/zinc/51/08/25/728510825.db2.gz FAAXSTQLACSOCD-INIZCTEOSA-N 0 0 361.511 2.684 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000588407789 845957748 /nfs/dbraw/zinc/95/77/48/845957748.db2.gz SUBPBVXSEZITBB-RYWCDNDXSA-N 0 0 359.813 2.555 10 10 FFCERN COc1cccc(CNC(=O)NC2CCN(c3cccs3)CC2)c1O ZINC000155629628 509041076 /nfs/dbraw/zinc/04/10/76/509041076.db2.gz RSVQNYKJPWTLJC-UHFFFAOYSA-N 0 0 361.467 2.931 10 10 FFCERN Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC000171360860 510105565 /nfs/dbraw/zinc/10/55/65/510105565.db2.gz VUTUZJHPGAHTTL-IBGZPJMESA-N 0 0 353.470 2.849 10 10 FFCERN Cc1cccc(N2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1 ZINC000180790323 510112042 /nfs/dbraw/zinc/11/20/42/510112042.db2.gz HTGBIPGSEZBRSZ-SOFGYWHQSA-N 0 0 353.422 2.600 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000172042827 510514176 /nfs/dbraw/zinc/51/41/76/510514176.db2.gz WDQXSRMHUPLVCL-PXNSSMCTSA-N 0 0 368.433 2.627 10 10 FFCERN COc1ccc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O)c(O)c2)cc1OC ZINC000001645462 560183325 /nfs/dbraw/zinc/18/33/25/560183325.db2.gz FTDOXLKYCKOSHA-CABCVRRESA-N 0 0 358.390 2.689 10 10 biogenic,in-vitro FFCERN Cn1cc([C@H]2CCCN2C(=O)NCCCSc2nccs2)cn1 ZINC000154654603 728809204 /nfs/dbraw/zinc/80/92/04/728809204.db2.gz SCYMRBIQEZNLCQ-CYBMUJFWSA-N 0 0 351.501 2.906 10 10 FFCERN CC[C@@H](O)CN1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000106394128 728510749 /nfs/dbraw/zinc/51/07/49/728510749.db2.gz FAAXSTQLACSOCD-MRXNPFEDSA-N 0 0 361.511 2.684 10 10 FFCERN Cc1csc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092789983 508100932 /nfs/dbraw/zinc/10/09/32/508100932.db2.gz SIWLBTYVXKLYPM-GOSISDBHSA-N 0 0 359.495 2.862 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000083712204 508253473 /nfs/dbraw/zinc/25/34/73/508253473.db2.gz IULRQTUNNHGTSH-KRWDZBQOSA-N 0 0 356.474 2.767 10 10 FFCERN COc1ccc(N2CCN(c3cc(-c4nc(C)no4)ccn3)CC2)cc1F ZINC000084929157 508297824 /nfs/dbraw/zinc/29/78/24/508297824.db2.gz HBYQXVMBCOLFIK-UHFFFAOYSA-N 0 0 369.400 2.914 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000155696402 509054498 /nfs/dbraw/zinc/05/44/98/509054498.db2.gz TXQGYRVOESGJLX-QGZVFWFLSA-N 0 0 370.478 2.802 10 10 FFCERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000249151227 509622848 /nfs/dbraw/zinc/62/28/48/509622848.db2.gz HIPYEJWFUFWPSQ-BMFAXAFESA-N 0 0 360.454 2.650 10 10 FFCERN Cc1cc(C(=O)NCCc2nnc3n2CCCC3)c(C)n1-c1ccccc1 ZINC000184116214 510142115 /nfs/dbraw/zinc/14/21/15/510142115.db2.gz NGFZXJPDXNSZER-UHFFFAOYSA-N 0 0 363.465 2.994 10 10 FFCERN Cc1nc(C[C@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)no1 ZINC000171445407 510162845 /nfs/dbraw/zinc/16/28/45/510162845.db2.gz HHEZFFAIOZDRKW-MRXNPFEDSA-N 0 0 357.458 2.608 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1F ZINC000174812278 510325073 /nfs/dbraw/zinc/32/50/73/510325073.db2.gz DNOGOXZFBBHXAZ-MRXNPFEDSA-N 0 0 374.464 2.810 10 10 FFCERN COc1ccc(O)c(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)c1 ZINC000174928054 510389531 /nfs/dbraw/zinc/38/95/31/510389531.db2.gz GOQQGTBEEALNAT-UHFFFAOYSA-N 0 0 370.453 2.572 10 10 FFCERN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000191303995 510595580 /nfs/dbraw/zinc/59/55/80/510595580.db2.gz LXBRUQQXKRIMKZ-UHFFFAOYSA-N 0 0 353.825 2.753 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247668234 510868174 /nfs/dbraw/zinc/86/81/74/510868174.db2.gz YGZCRMAYMFRGFU-SDRBTEHTSA-N 0 0 356.466 2.610 10 10 FFCERN Cn1cc([C@H]2CCN(C(=O)NCCCSc3nccs3)C2)cn1 ZINC000154647323 728809187 /nfs/dbraw/zinc/80/91/87/728809187.db2.gz XDQNCEQFVIZLQH-LBPRGKRZSA-N 0 0 351.501 2.558 10 10 FFCERN Cc1[nH]c2ccccc2c1/C=C1\SC(N2CCC(C(N)=O)CC2)=NC1=O ZINC000040570648 208256236 /nfs/dbraw/zinc/25/62/36/208256236.db2.gz WAQZTICRHWIBBU-YBEGLDIGSA-N 0 0 368.462 2.644 10 10 FFCERN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1c1ccco1)cc2=O ZINC000116296350 508495744 /nfs/dbraw/zinc/49/57/44/508495744.db2.gz RBZLGOZLCRWZOI-AWEZNQCLSA-N 0 0 356.382 2.542 10 10 FFCERN CC(C)[C@H](O)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000161211730 509086403 /nfs/dbraw/zinc/08/64/03/509086403.db2.gz BNPCSVGKTNTYQT-CZUORRHYSA-N 0 0 356.413 2.780 10 10 FFCERN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Br)cc(F)c1[O-] ZINC000185994064 509469074 /nfs/dbraw/zinc/46/90/74/509469074.db2.gz OHSRMEZYZMZGKJ-PSASIEDQSA-N 0 0 355.211 2.551 10 10 FFCERN COc1cc(Cl)cc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190156128 509973807 /nfs/dbraw/zinc/97/38/07/509973807.db2.gz FWFDPCGBQLBGIC-STQMWFEESA-N 0 0 353.806 2.708 10 10 FFCERN CCc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000009859326 535946010 /nfs/dbraw/zinc/94/60/10/535946010.db2.gz IEKJNZUDCPVQHI-UHFFFAOYSA-N 0 0 367.449 2.545 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000588404917 963599114 /nfs/dbraw/zinc/59/91/14/963599114.db2.gz ZKRNUIVVZPCYPM-CLFYSBASSA-N 0 0 372.465 2.799 10 10 FFCERN CC(C)CC(=O)NN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000040844430 211760377 /nfs/dbraw/zinc/76/03/77/211760377.db2.gz RVLHIJDRAGSDNB-QPEQYQDCSA-N 0 0 364.448 2.694 10 10 FFCERN COc1cccc(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)c1O ZINC000074436240 508023201 /nfs/dbraw/zinc/02/32/01/508023201.db2.gz GLFGLSCQTVGPRY-UHFFFAOYSA-N 0 0 370.453 2.572 10 10 FFCERN Cc1cnn(C[C@H]2CN(Cc3cc(Br)ccc3O)CCO2)c1 ZINC000122343218 508520501 /nfs/dbraw/zinc/52/05/01/508520501.db2.gz GIDZRWAHQCIIEB-OAHLLOKOSA-N 0 0 366.259 2.561 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(c2ncccn2)C1 ZINC000248154373 509250368 /nfs/dbraw/zinc/25/03/68/509250368.db2.gz YQAMGXPJYNTJSK-SFHVURJKSA-N 0 0 367.497 2.808 10 10 FFCERN Cc1ccc([C@H]2CN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CCO2)o1 ZINC000179508955 509484864 /nfs/dbraw/zinc/48/48/64/509484864.db2.gz GYNQYKIJXIAOHD-HXUWFJFHSA-N 0 0 371.481 2.686 10 10 FFCERN C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246544399 510545817 /nfs/dbraw/zinc/54/58/17/510545817.db2.gz YJOKTQBUZBBZLH-RDBSUJKOSA-N 0 0 371.428 2.573 10 10 FFCERN COc1cc2c(c(O)c1OC)C(=O)c1c(OC)cc(C)c(OC)c1C2=O ZINC000014647393 506996565 /nfs/dbraw/zinc/99/65/65/506996565.db2.gz IEQJWNREVVCVGT-UHFFFAOYSA-N 0 0 358.346 2.510 10 10 FFCERN Cc1nc([C@@H](NCc2cc3c(cc2O)OCO3)c2ccccc2F)no1 ZINC000114773882 508345950 /nfs/dbraw/zinc/34/59/50/508345950.db2.gz ZZHBTPHEQVTOHW-KRWDZBQOSA-N 0 0 357.341 2.831 10 10 FFCERN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nnc2n1CCCC2 ZINC000153554255 508596459 /nfs/dbraw/zinc/59/64/59/508596459.db2.gz BOPBUUMZQULHGZ-AWEZNQCLSA-N 0 0 368.485 2.557 10 10 FFCERN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nnc2n1CCCC2 ZINC000130761708 508842634 /nfs/dbraw/zinc/84/26/34/508842634.db2.gz KESIDNJHIZPKQJ-HZPDHXFCSA-N 0 0 355.486 2.863 10 10 FFCERN COc1ccc(N2CCCN(C(=O)/C=C/c3nnc(C(C)C)o3)CC2)cc1 ZINC000151180917 508973043 /nfs/dbraw/zinc/97/30/43/508973043.db2.gz SFLXFBREERPQJZ-MDZDMXLPSA-N 0 0 370.453 2.954 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120805775 509068176 /nfs/dbraw/zinc/06/81/76/509068176.db2.gz BSCPBRDOAJGDCH-QGZVFWFLSA-N 0 0 366.469 2.551 10 10 FFCERN O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000249159370 509627149 /nfs/dbraw/zinc/62/71/49/509627149.db2.gz IYYSCWAZBDQHIF-BMGDILEWSA-N 0 0 361.397 2.759 10 10 FFCERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Br)ccc2O)C1 ZINC000190151886 509970827 /nfs/dbraw/zinc/97/08/27/509970827.db2.gz LRJSUSCXELOKLE-OLZOCXBDSA-N 0 0 368.231 2.808 10 10 FFCERN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000178871994 510814686 /nfs/dbraw/zinc/81/46/86/510814686.db2.gz WBRDILFIDMFKLY-IBGZPJMESA-N 0 0 355.486 2.661 10 10 FFCERN O=C(NCCCSc1nccs1)N1CCO[C@H](c2nccs2)C1 ZINC000154684804 728810138 /nfs/dbraw/zinc/81/01/38/728810138.db2.gz NEFPJYKLHMUSLY-NSHDSACASA-N 0 0 370.525 2.865 10 10 FFCERN COc1ccc(N(Cc2cccs2)C[C@H](O)CN2CCCC2=O)cc1 ZINC000157294477 728869863 /nfs/dbraw/zinc/86/98/63/728869863.db2.gz IJHOQSBDIHMSQE-MRXNPFEDSA-N 0 0 360.479 2.747 10 10 FFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCC[C@@H]1CO ZINC000175964742 729105337 /nfs/dbraw/zinc/10/53/37/729105337.db2.gz LUNKFVVUIKPLST-AEFFLSMTSA-N 0 0 363.527 2.590 10 10 FFCERN CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000006714197 506499089 /nfs/dbraw/zinc/49/90/89/506499089.db2.gz HOKBTVCMPWVOLD-UHFFFAOYSA-N 0 0 365.477 2.921 10 10 FFCERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(OC)c1O ZINC000068488762 507248809 /nfs/dbraw/zinc/24/88/09/507248809.db2.gz UZYWIGMQPGOYJU-KBXCAEBGSA-N 0 0 370.449 2.862 10 10 FFCERN Cc1ccc(N2CCC(NC(=O)N(C)Cc3ccccc3O)CC2)nc1 ZINC000074435626 508022362 /nfs/dbraw/zinc/02/23/62/508022362.db2.gz NXFPALQTMYUYFL-UHFFFAOYSA-N 0 0 354.454 2.906 10 10 FFCERN Cc1cnn(C[C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)c1 ZINC000122342957 508520478 /nfs/dbraw/zinc/52/04/78/508520478.db2.gz GIDZRWAHQCIIEB-HNNXBMFYSA-N 0 0 366.259 2.561 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245797560 510149011 /nfs/dbraw/zinc/14/90/11/510149011.db2.gz JMCOYZXAPGCNOP-IPMKNSEASA-N 0 0 353.466 2.820 10 10 FFCERN Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F ZINC000088467631 728436997 /nfs/dbraw/zinc/43/69/97/728436997.db2.gz JDHYVXGFRXLAFE-NSHDSACASA-N 0 0 366.414 2.702 10 10 FFCERN CNC(=O)c1cncc(/C=C/C(=O)N(CC(F)F)c2ccc(F)cc2)c1 ZINC000588602678 968081637 /nfs/dbraw/zinc/08/16/37/968081637.db2.gz OQDKSHCAARALCE-FARCUNLSSA-N 0 0 363.339 2.892 10 10 FFCERN Nc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 ZINC000038055483 211371765 /nfs/dbraw/zinc/37/17/65/211371765.db2.gz JSBSMNWUNACGEJ-UHFFFAOYSA-N 0 0 368.174 2.891 10 10 FFCERN O=C(NCc1ccccc1F)C1=C2CCCN2c2ccccc2S1(=O)=O ZINC000065239771 221184326 /nfs/dbraw/zinc/18/43/26/221184326.db2.gz JTTQPTCNCJAUBZ-UHFFFAOYSA-N 0 0 372.421 2.741 10 10 FFCERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090227611 507915766 /nfs/dbraw/zinc/91/57/66/507915766.db2.gz RCFKSQIRDNFTHP-SUMWQHHRSA-N 0 0 359.449 2.748 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000088756195 508382418 /nfs/dbraw/zinc/38/24/18/508382418.db2.gz PYTJOJFSXINSHT-KRWDZBQOSA-N 0 0 370.501 2.973 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1F ZINC000129001537 508669935 /nfs/dbraw/zinc/66/99/35/508669935.db2.gz BBJGPWJPVZUCNH-INIZCTEOSA-N 0 0 358.417 2.650 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000129613420 508746208 /nfs/dbraw/zinc/74/62/08/508746208.db2.gz JSTWRBZFOYHXBK-LPHOPBHVSA-N 0 0 356.397 2.709 10 10 FFCERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182522361 509282777 /nfs/dbraw/zinc/28/27/77/509282777.db2.gz CPMGUHRJLPDSQR-FZKQIMNGSA-N 0 0 356.422 2.559 10 10 FFCERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176038924 509288854 /nfs/dbraw/zinc/28/88/54/509288854.db2.gz ACHQEYLBYURGPR-IBGZPJMESA-N 0 0 367.497 2.948 10 10 FFCERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1Cc2cnnn2Cc2ccccc21 ZINC000188999829 509362536 /nfs/dbraw/zinc/36/25/36/509362536.db2.gz FMRIUPVMOLXWOP-BQYQJAHWSA-N 0 0 368.828 2.582 10 10 FFCERN Cc1csc([C@@H]2COCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000190406482 510112979 /nfs/dbraw/zinc/11/29/79/510112979.db2.gz YTICAXYFDDPKAO-SFHVURJKSA-N 0 0 359.495 2.862 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245797553 510148982 /nfs/dbraw/zinc/14/89/82/510148982.db2.gz JMCOYZXAPGCNOP-GUDVDZBRSA-N 0 0 353.466 2.820 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CCCN(c3ccccn3)CC2)cc1F ZINC000184279898 510237087 /nfs/dbraw/zinc/23/70/87/510237087.db2.gz KWZAHZPSJPPPGT-UHFFFAOYSA-N 0 0 371.460 2.709 10 10 FFCERN Cc1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(O)c1O ZINC000181786141 510592115 /nfs/dbraw/zinc/59/21/15/510592115.db2.gz UAHFLUTWDSGUDB-UHFFFAOYSA-N 0 0 360.454 2.661 10 10 FFCERN COc1ccc(N2CCN(c3nccc(-c4cn(C)nc4C)n3)CC2)cc1 ZINC000072462173 536702158 /nfs/dbraw/zinc/70/21/58/536702158.db2.gz FPZRLKQYOGZEML-UHFFFAOYSA-N 0 0 364.453 2.521 10 10 FFCERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000154573805 728807349 /nfs/dbraw/zinc/80/73/49/728807349.db2.gz IVQYBKCWSSGSOW-CYBMUJFWSA-N 0 0 370.544 2.668 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1csc(N2CCCC2)n1 ZINC000588404853 845957916 /nfs/dbraw/zinc/95/79/16/845957916.db2.gz WMEBFCVLIROSFU-XQRVVYSFSA-N 0 0 359.451 2.527 10 10 FFCERN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000104900802 1004862518 /nfs/dbraw/zinc/86/25/18/1004862518.db2.gz NYJZKXYMEGVRFJ-JTQLQIEISA-N 0 0 373.800 2.521 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000083712202 508253455 /nfs/dbraw/zinc/25/34/55/508253455.db2.gz IULRQTUNNHGTSH-QGZVFWFLSA-N 0 0 356.474 2.767 10 10 FFCERN C[C@@H](N[C@H](C)c1ccc(N2CCC(O)CC2)cc1)c1nnc2n1CCCC2 ZINC000130795090 508847441 /nfs/dbraw/zinc/84/74/41/508847441.db2.gz MGFHBXQLBUXDCR-HZPDHXFCSA-N 0 0 369.513 2.987 10 10 FFCERN COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(N)cc2)CC1=O ZINC000160365142 508976977 /nfs/dbraw/zinc/97/69/77/508976977.db2.gz SSARUYUJIGUOEQ-NSHDSACASA-N 0 0 359.813 2.922 10 10 FFCERN O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000189911028 509823091 /nfs/dbraw/zinc/82/30/91/509823091.db2.gz IYYSCWAZBDQHIF-ZTFGCOKTSA-N 0 0 361.397 2.759 10 10 FFCERN Cc1nc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2F)no1 ZINC000181086182 510271042 /nfs/dbraw/zinc/27/10/42/510271042.db2.gz LXAUUICRHYIGQT-KOEDOTQGSA-N 0 0 369.352 2.847 10 10 FFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000171753660 510348783 /nfs/dbraw/zinc/34/87/83/510348783.db2.gz DYAWQAKAUFGHIY-VQTJNVASSA-N 0 0 351.450 2.744 10 10 FFCERN COc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1O ZINC000171853212 510411591 /nfs/dbraw/zinc/41/15/91/510411591.db2.gz VUHABAUEBWQKMS-VQIMIIECSA-N 0 0 368.433 2.627 10 10 FFCERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000176301294 509431417 /nfs/dbraw/zinc/43/14/17/509431417.db2.gz NGMIKOHXOHMKPU-HXUWFJFHSA-N 0 0 365.481 2.942 10 10 FFCERN Cc1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccc1 ZINC000173538208 509646426 /nfs/dbraw/zinc/64/64/26/509646426.db2.gz YLTDMEFGGIFQPB-GOSISDBHSA-N 0 0 365.437 2.734 10 10 FFCERN COc1cccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c1O ZINC000171487514 510189587 /nfs/dbraw/zinc/18/95/87/510189587.db2.gz UDONBVCALNVDBH-UHFFFAOYSA-N 0 0 374.462 2.631 10 10 FFCERN O=C(N[C@@H]1CCc2ncnn2C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000175116229 510489818 /nfs/dbraw/zinc/48/98/18/510489818.db2.gz LXABZBAIRBBDRN-MRXNPFEDSA-N 0 0 369.469 2.843 10 10 FFCERN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCOC1 ZINC000246972876 510777202 /nfs/dbraw/zinc/77/72/02/510777202.db2.gz QLWQBFSKOHKFHY-KBPBESRZSA-N 0 0 354.397 2.800 10 10 FFCERN CCn1cc([C@@H]2CN(Cc3cc(Cl)cc(OC)c3O)CCO2)cn1 ZINC000191707934 510794912 /nfs/dbraw/zinc/79/49/12/510794912.db2.gz OSZKKFMYQJOAEA-INIZCTEOSA-N 0 0 351.834 2.844 10 10 FFCERN CC[C@@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+]1CCOC ZINC000120948452 728618031 /nfs/dbraw/zinc/61/80/31/728618031.db2.gz HABAOHLHDWVSIG-CQSZACIVSA-N 0 0 357.292 2.697 10 10 FFCERN CCOC(C)=C1C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC ZINC000001432856 210353338 /nfs/dbraw/zinc/35/33/38/210353338.db2.gz IJYMQNNYJOMRBU-XNTDXEJSSA-N 0 0 359.407 2.873 10 10 FFCERN CCn1nc(C)cc1-c1nnc(Sc2ncc([N+](=O)[O-])s2)n1C ZINC000003129601 506311914 /nfs/dbraw/zinc/31/19/14/506311914.db2.gz LAJNPBGTUNSKGJ-UHFFFAOYSA-N 0 0 351.417 2.523 10 10 FFCERN COc1cccc(CNC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1O ZINC000105651604 508379725 /nfs/dbraw/zinc/37/97/25/508379725.db2.gz MVWKVWKTVXFRFD-BLLLJJGKSA-N 0 0 354.406 2.925 10 10 FFCERN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000122466358 508539728 /nfs/dbraw/zinc/53/97/28/508539728.db2.gz ZXEKFXBUUPBKBM-OAHLLOKOSA-N 0 0 373.457 2.587 10 10 FFCERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000155701139 509055027 /nfs/dbraw/zinc/05/50/27/509055027.db2.gz XOMSIVQFXQAGSD-GOSISDBHSA-N 0 0 370.497 2.653 10 10 FFCERN CCc1nnc(CN(CC)Cc2cc(Br)ccc2O)n1C ZINC000174423349 510108691 /nfs/dbraw/zinc/10/86/91/510108691.db2.gz PQJATTCAVGDEEL-UHFFFAOYSA-N 0 0 353.264 2.868 10 10 FFCERN COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1 ZINC000190835861 510366307 /nfs/dbraw/zinc/36/63/07/510366307.db2.gz NZAYIADQWCWOPK-UHFFFAOYSA-N 0 0 365.433 2.542 10 10 FFCERN CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092708299 728470167 /nfs/dbraw/zinc/47/01/67/728470167.db2.gz ILYMMZQYHYKZMC-ZDUSSCGKSA-N 0 0 355.822 2.835 10 10 FFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccc2c(c1)CCC2 ZINC000177430343 729136588 /nfs/dbraw/zinc/13/65/88/729136588.db2.gz VRVSJKSKRQTCRW-SFHVURJKSA-N 0 0 359.491 2.852 10 10 FFCERN C[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)O1 ZINC000246028889 729579068 /nfs/dbraw/zinc/57/90/68/729579068.db2.gz NILYGKUPUZMYRA-DVOMOZLQSA-N 0 0 354.397 2.941 10 10 FFCERN CNC(=O)c1cncc(C=CC(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c1 ZINC000588473376 965569336 /nfs/dbraw/zinc/56/93/36/965569336.db2.gz JPAFTNDQEMSQGM-PODYEWJSSA-N 0 0 361.401 2.561 10 10 FFCERN COC(=O)/C(=C/c1ccc(N2CCCCC2)cc1)CN1CCC(=O)CC1 ZINC000588566339 967162554 /nfs/dbraw/zinc/16/25/54/967162554.db2.gz ZYRXFBVNQNDCCP-OBGWFSINSA-N 0 0 356.466 2.898 10 10 FFCERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000101604308 1004882475 /nfs/dbraw/zinc/88/24/75/1004882475.db2.gz BROZOPRJNDBLBW-MRXNPFEDSA-N 0 0 374.529 2.835 10 10 FFCERN Cc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)n1-c1ccccn1 ZINC000109679506 507980543 /nfs/dbraw/zinc/98/05/43/507980543.db2.gz JXMYHKRBQGPGFB-MRXNPFEDSA-N 0 0 350.426 2.558 10 10 FFCERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000189332431 509524242 /nfs/dbraw/zinc/52/42/42/509524242.db2.gz PSUGAQKAMHEDJM-DZGCQCFKSA-N 0 0 365.817 2.902 10 10 FFCERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Br)ccc2O)C1 ZINC000190151870 509971293 /nfs/dbraw/zinc/97/12/93/509971293.db2.gz LRJSUSCXELOKLE-QWHCGFSZSA-N 0 0 368.231 2.808 10 10 FFCERN CN1CCc2cc(CNc3cccc4c3CCN4S(C)(=O)=O)ccc21 ZINC000184223714 510202479 /nfs/dbraw/zinc/20/24/79/510202479.db2.gz TTXWKZMSQOCIJT-UHFFFAOYSA-N 0 0 357.479 2.613 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1F ZINC000174812268 510324284 /nfs/dbraw/zinc/32/42/84/510324284.db2.gz DNOGOXZFBBHXAZ-INIZCTEOSA-N 0 0 374.464 2.810 10 10 FFCERN COc1cc(O)c(CN2CCNC(=O)[C@H]2c2ccc(F)cc2C)cc1OC ZINC000184910662 510577697 /nfs/dbraw/zinc/57/76/97/510577697.db2.gz ORAZBPPRCSBQCR-LJQANCHMSA-N 0 0 374.412 2.530 10 10 FFCERN O=C(NCCCSc1nccs1)N1CCC(Cn2cccn2)CC1 ZINC000154647444 728809226 /nfs/dbraw/zinc/80/92/26/728809226.db2.gz LXJBEVVWNZLPFQ-UHFFFAOYSA-N 0 0 365.528 2.944 10 10 FFCERN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCC[C@H]1O ZINC000077777557 728284865 /nfs/dbraw/zinc/28/48/65/728284865.db2.gz CJFNHJWNEIKYRY-SJLPKXTDSA-N 0 0 363.527 2.590 10 10 FFCERN CCOc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)ccc1O ZINC000096450512 728481081 /nfs/dbraw/zinc/48/10/81/728481081.db2.gz HHXYFFIPIUBDDR-OCFSITRASA-N 0 0 362.436 2.731 10 10 FFCERN C[C@@H](O)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000309971189 729740102 /nfs/dbraw/zinc/74/01/02/729740102.db2.gz POUITOUGGFGCAD-NKWVEPMBSA-N 0 0 353.054 2.776 10 10 FFCERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000105322374 1005057791 /nfs/dbraw/zinc/05/77/91/1005057791.db2.gz PBLIVAFRRYZDCO-SFHVURJKSA-N 0 0 368.481 2.962 10 10 FFCERN Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)c(C)n1-c1ccc(F)cc1 ZINC000112651995 508206025 /nfs/dbraw/zinc/20/60/25/508206025.db2.gz ANPLOKKQHNHAPO-OAHLLOKOSA-N 0 0 353.401 2.570 10 10 FFCERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000176287598 509423168 /nfs/dbraw/zinc/42/31/68/509423168.db2.gz XXSYYYXFFLSOGM-MRXNPFEDSA-N 0 0 350.426 2.654 10 10 FFCERN Cc1ccc(-c2nnc3sc(=Cc4ccc(N(C)C)cc4)c(=O)n32)cc1 ZINC000254519573 509907750 /nfs/dbraw/zinc/90/77/50/509907750.db2.gz NWNWWBNTPGHWND-UHFFFAOYSA-N 0 0 362.458 2.740 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187180844 510107816 /nfs/dbraw/zinc/10/78/16/510107816.db2.gz XXVFLJJLVFGAJI-WMZOPIPTSA-N 0 0 359.495 2.732 10 10 FFCERN CC(C)c1nnc2n1C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000181715107 510554205 /nfs/dbraw/zinc/55/42/05/510554205.db2.gz OHGJCNXWLDABDP-MRXNPFEDSA-N 0 0 370.501 2.624 10 10 FFCERN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c1[O-] ZINC000175648510 510712896 /nfs/dbraw/zinc/71/28/96/510712896.db2.gz BQUOHRTVWWILQJ-UHFFFAOYSA-N 0 0 374.460 2.527 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C ZINC000188401368 510748304 /nfs/dbraw/zinc/74/83/04/510748304.db2.gz LSJOXIQUUMGDQD-UONOGXRCSA-N 0 0 352.406 2.698 10 10 FFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000301206935 511689734 /nfs/dbraw/zinc/68/97/34/511689734.db2.gz ZQSVGYDPTTZEPW-PMGBHYCQSA-N 0 0 356.382 2.819 10 10 FFCERN CN(C)c1ccc(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cc1F ZINC000301905761 511703634 /nfs/dbraw/zinc/70/36/34/511703634.db2.gz YUUAKLRVNQPQKM-UHFFFAOYSA-N 0 0 367.402 2.816 10 10 FFCERN CC[C@H]1CN(Cc2cccc(Br)c2[O-])CC[N@@H+]1CCOC ZINC000120948612 728618075 /nfs/dbraw/zinc/61/80/75/728618075.db2.gz HABAOHLHDWVSIG-AWEZNQCLSA-N 0 0 357.292 2.697 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174317325 729068859 /nfs/dbraw/zinc/06/88/59/729068859.db2.gz PAZFBOAMBCADQM-JKSUJKDBSA-N 0 0 361.511 2.683 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000588403493 963567098 /nfs/dbraw/zinc/56/70/98/963567098.db2.gz LAJJWJSNRULWNU-ALCCZGGFSA-N 0 0 364.405 2.560 10 10 FFCERN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1ncccc1C ZINC000588455889 965227962 /nfs/dbraw/zinc/22/79/62/965227962.db2.gz MNZHXKXPJWBHST-VURMDHGXSA-N 0 0 374.824 2.964 10 10 FFCERN CCc1nc(N)sc1C(=O)N1CCN(c2ccc(OC)cc2)C[C@@H]1C ZINC000072408897 136145257 /nfs/dbraw/zinc/14/52/57/136145257.db2.gz QMOCTMMXDSKGCO-LBPRGKRZSA-N 0 0 360.483 2.647 10 10 FFCERN CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2cc(C)nn2C)cn1 ZINC000035678514 506387690 /nfs/dbraw/zinc/38/76/90/506387690.db2.gz BVHMFUHHRUABHF-BOPFTXTBSA-N 0 0 360.421 2.779 10 10 FFCERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)cn1 ZINC000116539831 508526865 /nfs/dbraw/zinc/52/68/65/508526865.db2.gz XHOFGRICXQEFPZ-QGZVFWFLSA-N 0 0 353.470 2.502 10 10 FFCERN CC(C)[C@H](O)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000161211964 509086672 /nfs/dbraw/zinc/08/66/72/509086672.db2.gz BNPCSVGKTNTYQT-XJKSGUPXSA-N 0 0 356.413 2.780 10 10 FFCERN CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000185934302 509434179 /nfs/dbraw/zinc/43/41/79/509434179.db2.gz HXLLRMJPKUHEQZ-MSOLQXFVSA-N 0 0 361.486 2.526 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000174133549 509962801 /nfs/dbraw/zinc/96/28/01/509962801.db2.gz XMIMPALZMYHXHQ-GOSISDBHSA-N 0 0 356.474 2.671 10 10 FFCERN O=C(NCc1ccccc1)C1=C2CCCN2c2ccccc2S1(=O)=O ZINC000065239765 570824262 /nfs/dbraw/zinc/82/42/62/570824262.db2.gz DQUPNOUEJHGVHO-UHFFFAOYSA-N 0 0 354.431 2.602 10 10 FFCERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)O1 ZINC000157665204 728874847 /nfs/dbraw/zinc/87/48/47/728874847.db2.gz NILYGKUPUZMYRA-IOASZLSFSA-N 0 0 354.397 2.941 10 10 FFCERN CNC(=O)c1cncc(C=CC(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000588473375 965568952 /nfs/dbraw/zinc/56/89/52/965568952.db2.gz JPAFTNDQEMSQGM-BMWLXYDHSA-N 0 0 361.401 2.561 10 10 FFCERN Cc1cc(N(CCO)CCO)ccc1/N=N/c1ncc([N+](=O)[O-])s1 ZINC000111492700 508104357 /nfs/dbraw/zinc/10/43/57/508104357.db2.gz ZRFKBPGAGIGQON-WUKNDPDISA-N 0 0 351.388 2.566 10 10 FFCERN Cc1noc(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000102035638 508265228 /nfs/dbraw/zinc/26/52/28/508265228.db2.gz IGLJOPWCLBLDJT-UHFFFAOYSA-N 0 0 357.458 2.752 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000134774277 508565796 /nfs/dbraw/zinc/56/57/96/508565796.db2.gz VNWSITJDDLRRLB-HXUWFJFHSA-N 0 0 364.449 2.821 10 10 FFCERN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nnc2n1CCCC2 ZINC000153451059 508584563 /nfs/dbraw/zinc/58/45/63/508584563.db2.gz BZMRYLCNTJMMMS-AWEZNQCLSA-N 0 0 356.474 2.583 10 10 FFCERN COc1ccc(N2CCCN(Cc3noc(C4CCOCC4)n3)CC2)cc1 ZINC000170838376 509803886 /nfs/dbraw/zinc/80/38/86/509803886.db2.gz HCBZDAUMNDHGJI-UHFFFAOYSA-N 0 0 372.469 2.685 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171852712 510412099 /nfs/dbraw/zinc/41/20/99/510412099.db2.gz SPUYGNLZOGBUMC-XLIONFOSSA-N 0 0 352.434 2.960 10 10 FFCERN COc1cc(Cl)cc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1O ZINC000184690387 510465358 /nfs/dbraw/zinc/46/53/58/510465358.db2.gz DQFZQVSNPHKPPC-NSHDSACASA-N 0 0 366.849 2.624 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000172116381 510551835 /nfs/dbraw/zinc/55/18/35/510551835.db2.gz HQAJFCBRLSKENT-QGZVFWFLSA-N 0 0 355.486 2.965 10 10 FFCERN CN(C)c1ccc(CNC(=O)CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000195349235 510796624 /nfs/dbraw/zinc/79/66/24/510796624.db2.gz CWZCKCQDSVPHJF-INIZCTEOSA-N 0 0 358.511 2.705 10 10 FFCERN COC(=O)C=Cc1ccc(N2CCC(c3cc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000301125264 511689594 /nfs/dbraw/zinc/68/95/94/511689594.db2.gz NYOUYFVIGKXPKB-HWKANZROSA-N 0 0 356.382 2.888 10 10 FFCERN Nc1[nH][nH]c(=NC(=S)NC(=O)c2ccccc2)c1N=Nc1ccccc1 ZINC000575733184 518254086 /nfs/dbraw/zinc/25/40/86/518254086.db2.gz NANFPTLYKYJGOZ-UHFFFAOYSA-N 0 0 365.422 2.956 10 10 FFCERN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000080582579 508085582 /nfs/dbraw/zinc/08/55/82/508085582.db2.gz DCGFOGNECHFAOF-GOSISDBHSA-N 0 0 354.454 2.508 10 10 FFCERN Cc1nccn1C[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176037003 509286987 /nfs/dbraw/zinc/28/69/87/509286987.db2.gz DGFWOADLNCHHQC-MRXNPFEDSA-N 0 0 359.449 2.771 10 10 FFCERN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000236673106 509477258 /nfs/dbraw/zinc/47/72/58/509477258.db2.gz FEILXUILHZSNEV-GOSISDBHSA-N 0 0 357.429 2.521 10 10 FFCERN O=C1COc2cc([N+](=O)[O-])c(N3CCC(Cc4ccccn4)CC3)cc2N1 ZINC000193566549 509967303 /nfs/dbraw/zinc/96/73/03/509967303.db2.gz BJIALVUAAJZKMW-UHFFFAOYSA-N 0 0 368.393 2.780 10 10 FFCERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000105322382 1005057760 /nfs/dbraw/zinc/05/77/60/1005057760.db2.gz PBLIVAFRRYZDCO-GOSISDBHSA-N 0 0 368.481 2.962 10 10 FFCERN CC(=O)N(C(C)=O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S ZINC000033931551 220753247 /nfs/dbraw/zinc/75/32/47/220753247.db2.gz JGEFVPMVNLYHAB-KPKJPENVSA-N 0 0 354.840 2.851 10 10 FFCERN O=C(c1cccs1)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000112331256 508175410 /nfs/dbraw/zinc/17/54/10/508175410.db2.gz XXIPSJKVOYMOOM-UHFFFAOYSA-N 0 0 360.435 2.531 10 10 FFCERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083710828 508253091 /nfs/dbraw/zinc/25/30/91/508253091.db2.gz NRGSWNBJWZUDDV-QGZVFWFLSA-N 0 0 354.458 2.521 10 10 FFCERN COc1cc(O)c(CN2CCO[C@@H](c3nc(C)cs3)C2)cc1OC ZINC000160067212 508933330 /nfs/dbraw/zinc/93/33/30/508933330.db2.gz RBXGNTMZAVVYBF-MRXNPFEDSA-N 0 0 350.440 2.748 10 10 FFCERN CCOc1cccc(CNc2cccc3c2CCN3C(=O)COC)c1O ZINC000184128201 510150491 /nfs/dbraw/zinc/15/04/91/510150491.db2.gz JOTARLLVLRZEEB-UHFFFAOYSA-N 0 0 356.422 2.939 10 10 FFCERN CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000171987168 510487146 /nfs/dbraw/zinc/48/71/46/510487146.db2.gz RGPVPXKCSTWTLW-TZIWHRDSSA-N 0 0 365.477 2.979 10 10 FFCERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000114374978 728560013 /nfs/dbraw/zinc/56/00/13/728560013.db2.gz IJTRRPSQPSJZME-GFCCVEGCSA-N 0 0 364.496 2.952 10 10 FFCERN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)Oc3c(Cl)cccc32)c1 ZINC000588574429 967389462 /nfs/dbraw/zinc/38/94/62/967389462.db2.gz KWNZTHAIIVKMPS-ZHRWSRJISA-N 0 0 371.824 2.922 10 10 FFCERN CCc1nc(N)sc1C(=O)N1CCN(c2ccc(OC)cc2)C[C@H]1C ZINC000072408898 136145289 /nfs/dbraw/zinc/14/52/89/136145289.db2.gz QMOCTMMXDSKGCO-GFCCVEGCSA-N 0 0 360.483 2.647 10 10 FFCERN Cc1cc(C(=O)N2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccccc1 ZINC000054318609 506536403 /nfs/dbraw/zinc/53/64/03/506536403.db2.gz CTQFRMJFVLKYQG-UHFFFAOYSA-N 0 0 366.465 2.724 10 10 FFCERN CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4nccs4)C3)ccc21 ZINC000111845377 508129334 /nfs/dbraw/zinc/12/93/34/508129334.db2.gz IMJJSFOTWFAKLS-KRWDZBQOSA-N 0 0 372.494 2.809 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(Cn2cccn2)CC1 ZINC000128008016 508534573 /nfs/dbraw/zinc/53/45/73/508534573.db2.gz OKHYTYNHJIFXFX-UHFFFAOYSA-N 0 0 365.481 2.881 10 10 FFCERN CCc1nc([C@@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCO2)n[nH]1 ZINC000129091980 508682344 /nfs/dbraw/zinc/68/23/44/508682344.db2.gz QCMUTDPJKXTTTM-SFHVURJKSA-N 0 0 355.486 2.931 10 10 FFCERN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000120223524 508953446 /nfs/dbraw/zinc/95/34/46/508953446.db2.gz MXHYQLYXUHXIIS-KRWDZBQOSA-N 0 0 359.470 2.715 10 10 FFCERN Oc1cc2c(cc1CN1CCCC[C@H]1c1nnc3n1CCCC3)OCO2 ZINC000160414803 508983944 /nfs/dbraw/zinc/98/39/44/508983944.db2.gz MKUXWCGPYRWHAA-AWEZNQCLSA-N 0 0 356.426 2.776 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245727957 510111189 /nfs/dbraw/zinc/11/11/89/510111189.db2.gz AKRYHLZJFFYKQN-LCWKZTSESA-N 0 0 368.477 2.610 10 10 FFCERN COCC(=O)N1CCc2c1cccc2NCc1ccc2c(c1)CCN2C ZINC000184129374 510150718 /nfs/dbraw/zinc/15/07/18/510150718.db2.gz LRAQGWLJQBBLGP-UHFFFAOYSA-N 0 0 351.450 2.827 10 10 FFCERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(O)c1O ZINC000177664846 510188137 /nfs/dbraw/zinc/18/81/37/510188137.db2.gz NQXGZUWGLBFKIR-AWEZNQCLSA-N 0 0 354.406 2.897 10 10 FFCERN COc1cc(Cl)cc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1O ZINC000184690894 510464944 /nfs/dbraw/zinc/46/49/44/510464944.db2.gz VGJKRQPYUIMSNM-INIZCTEOSA-N 0 0 365.861 2.769 10 10 FFCERN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)c(F)c1[O-] ZINC000191221841 510556221 /nfs/dbraw/zinc/55/62/21/510556221.db2.gz YDMOYSWSLAEIMY-YVEFUNNKSA-N 0 0 358.454 2.529 10 10 FFCERN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nnc2n1CCCC2 ZINC000178565727 510665306 /nfs/dbraw/zinc/66/53/06/510665306.db2.gz BBSQRXQSZXQIOH-OAHLLOKOSA-N 0 0 368.485 2.775 10 10 FFCERN Cn1nccc1C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154614728 728808021 /nfs/dbraw/zinc/80/80/21/728808021.db2.gz KQFJKFLPDVVYCE-UHFFFAOYSA-N 0 0 365.528 2.948 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CCC(n3cncn3)CC2)cc1F ZINC000066978979 506717263 /nfs/dbraw/zinc/71/72/63/506717263.db2.gz GNYXLOVOKWUDAG-UHFFFAOYSA-N 0 0 374.464 2.810 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000088756196 508382360 /nfs/dbraw/zinc/38/23/60/508382360.db2.gz PYTJOJFSXINSHT-QGZVFWFLSA-N 0 0 370.501 2.973 10 10 FFCERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000134112498 508494593 /nfs/dbraw/zinc/49/45/93/508494593.db2.gz WGYVKPGSEOUKKE-HNNXBMFYSA-N 0 0 374.464 2.941 10 10 FFCERN Cn1cc([C@H]2CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000128009804 508534592 /nfs/dbraw/zinc/53/45/92/508534592.db2.gz IHFDWUYISVKQFX-LJQANCHMSA-N 0 0 351.454 2.843 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CCC(c3ccnn3C)CC2)cc1F ZINC000158089833 508655919 /nfs/dbraw/zinc/65/59/19/508655919.db2.gz KRFNDLYKBSDHND-UHFFFAOYSA-N 0 0 359.449 2.714 10 10 FFCERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)c2ccc(F)cc2C1 ZINC000185690566 509306078 /nfs/dbraw/zinc/30/60/78/509306078.db2.gz BVAQZAMCVAIVLG-QGZVFWFLSA-N 0 0 372.396 2.769 10 10 FFCERN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000185934248 509434167 /nfs/dbraw/zinc/43/41/67/509434167.db2.gz HXLLRMJPKUHEQZ-ZWKOTPCHSA-N 0 0 361.486 2.526 10 10 FFCERN COC(=O)/C=C/c1ccc(N2CCC(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000299596750 511664232 /nfs/dbraw/zinc/66/42/32/511664232.db2.gz LFJQUVRVJFMMEA-GQCTYLIASA-N 0 0 370.409 2.899 10 10 FFCERN O=C(NCCCSc1nccs1)N1CCC(c2cc[nH]n2)CC1 ZINC000154679704 728809975 /nfs/dbraw/zinc/80/99/75/728809975.db2.gz HDTDBMVFRYAHRZ-UHFFFAOYSA-N 0 0 351.501 2.938 10 10 FFCERN CN(C)c1ccc(CN(C)C(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000104217945 1004482138 /nfs/dbraw/zinc/48/21/38/1004482138.db2.gz QDQDWSKYLYLTIX-UHFFFAOYSA-N 0 0 370.844 2.654 10 10 FFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cc(F)cc(F)c32)c1 ZINC000110228009 1005915687 /nfs/dbraw/zinc/91/56/87/1005915687.db2.gz UDIJYWVPFGWRRK-SNAWJCMRSA-N 0 0 357.360 2.712 10 10 FFCERN O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1nccs1 ZINC000035640579 220792302 /nfs/dbraw/zinc/79/23/02/220792302.db2.gz QLTDSWVCDLRSCT-NTMALXAHSA-N 0 0 365.461 2.966 10 10 FFCERN O=c1[nH]c2ccc(Cl)cc2c(=O)n1Cc1ccc(N2CCCC2)cc1 ZINC000073658269 221565257 /nfs/dbraw/zinc/56/52/57/221565257.db2.gz PFWMZEAAVYIZEV-UHFFFAOYSA-N 0 0 355.825 2.992 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088375 508070000 /nfs/dbraw/zinc/07/00/00/508070000.db2.gz SBDWMPLRHOCXNN-INIZCTEOSA-N 0 0 370.478 2.893 10 10 FFCERN C[C@H](N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1)c1nnc2n1CCCC2 ZINC000130794461 508847366 /nfs/dbraw/zinc/84/73/66/508847366.db2.gz MGFHBXQLBUXDCR-HOTGVXAUSA-N 0 0 369.513 2.987 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000155665588 509048379 /nfs/dbraw/zinc/04/83/79/509048379.db2.gz WXHONWFAMBVAQO-UHFFFAOYSA-N 0 0 351.454 2.875 10 10 FFCERN CC(C)[C@@H](O)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000161211856 509086621 /nfs/dbraw/zinc/08/66/21/509086621.db2.gz BNPCSVGKTNTYQT-CJNGLKHVSA-N 0 0 356.413 2.780 10 10 FFCERN Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c(O)c1O ZINC000182573300 509310993 /nfs/dbraw/zinc/31/09/93/509310993.db2.gz SIZHAJRJZPKXQY-AWEZNQCLSA-N 0 0 356.426 2.701 10 10 FFCERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000249159375 509627170 /nfs/dbraw/zinc/62/71/70/509627170.db2.gz IYYSCWAZBDQHIF-QGTPRVQTSA-N 0 0 361.397 2.759 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCCN(c3cccnn3)CC2)c1O ZINC000177125859 509886750 /nfs/dbraw/zinc/88/67/50/509886750.db2.gz MMLBOXWEXXHVJX-UHFFFAOYSA-N 0 0 360.845 2.751 10 10 FFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000180613454 510013418 /nfs/dbraw/zinc/01/34/18/510013418.db2.gz QFPROYQJHYWYII-SOGBHIHOSA-N 0 0 366.417 2.988 10 10 FFCERN O=C(NCc1ccc2cccnc2c1O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000911261684 737186132 /nfs/dbraw/zinc/18/61/32/737186132.db2.gz JJVCIUTZGVBZGB-GOOCMWNKSA-N 0 0 356.447 2.515 10 10 FFCERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=Cc3ccc(O)c(O)c3)cc2)n1 ZINC000588406205 963619958 /nfs/dbraw/zinc/61/99/58/963619958.db2.gz UXXBQIPQMCIQST-OQFOIZHKSA-N 0 0 363.373 2.808 10 10 FFCERN COc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000102700189 1004006553 /nfs/dbraw/zinc/00/65/53/1004006553.db2.gz DYBCPFMZJILIDL-AWEZNQCLSA-N 0 0 359.445 2.867 10 10 FFCERN CC(C)CC(=O)NN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000003079101 204078023 /nfs/dbraw/zinc/07/80/23/204078023.db2.gz QXRPHNVBNSMPGO-WQLSENKSSA-N 0 0 365.436 2.873 10 10 FFCERN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000122466613 508540428 /nfs/dbraw/zinc/54/04/28/508540428.db2.gz ZXEKFXBUUPBKBM-HNNXBMFYSA-N 0 0 373.457 2.587 10 10 FFCERN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nnc2n1CCCC2 ZINC000153149473 508553175 /nfs/dbraw/zinc/55/31/75/508553175.db2.gz UMKKIIAGDNTNGQ-ZDUSSCGKSA-N 0 0 369.469 2.759 10 10 FFCERN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1nnc2n1CCCC2 ZINC000153554354 508596664 /nfs/dbraw/zinc/59/66/64/508596664.db2.gz BOPBUUMZQULHGZ-CQSZACIVSA-N 0 0 368.485 2.557 10 10 FFCERN COCOc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000143060898 508827035 /nfs/dbraw/zinc/82/70/35/508827035.db2.gz LBWBQVMBCJXSCB-UHFFFAOYSA-N 0 0 371.393 2.540 10 10 FFCERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000155453949 509004582 /nfs/dbraw/zinc/00/45/82/509004582.db2.gz SIYRDMJDZCFGBS-GOSISDBHSA-N 0 0 366.421 2.999 10 10 FFCERN CCn1nccc1/C=C/C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000125975876 509050895 /nfs/dbraw/zinc/05/08/95/509050895.db2.gz RWDZOUXVPUOMJX-JXMROGBWSA-N 0 0 354.454 2.664 10 10 FFCERN COc1cc(O)c(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1OC ZINC000180778684 510103796 /nfs/dbraw/zinc/10/37/96/510103796.db2.gz UYVXFDQDCQNUAK-CZUORRHYSA-N 0 0 365.376 2.996 10 10 FFCERN O=C(Nc1nnc2n1CCCC2)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000180889838 510166349 /nfs/dbraw/zinc/16/63/49/510166349.db2.gz DSDLDFFDEBRSKB-UHFFFAOYSA-N 0 0 372.384 2.642 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171852710 510411745 /nfs/dbraw/zinc/41/17/45/510411745.db2.gz SPUYGNLZOGBUMC-YLJYHZDGSA-N 0 0 352.434 2.960 10 10 FFCERN N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2SC(c3cccs3)=NN21 ZINC000096482421 728481166 /nfs/dbraw/zinc/48/11/66/728481166.db2.gz QVIGYEJHHWPSKH-FJTKUSMOSA-N 0 0 370.415 2.827 10 10 FFCERN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@H](C)O ZINC000309971192 729740072 /nfs/dbraw/zinc/74/00/72/729740072.db2.gz POUITOUGGFGCAD-RQJHMYQMSA-N 0 0 353.054 2.776 10 10 FFCERN CCCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000588617665 968277614 /nfs/dbraw/zinc/27/76/14/968277614.db2.gz HCYDYSAMOSXBNZ-FPLPWBNLSA-N 0 0 368.393 2.806 10 10 FFCERN CC(C)CNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O ZINC000002245720 204030751 /nfs/dbraw/zinc/03/07/51/204030751.db2.gz UPZPGBZOBGWJMF-XYOKQWHBSA-N 0 0 374.491 2.593 10 10 FFCERN Cc1cccc2c1NC(=O)/C2=C1/SC(=S)N(C[C@@H]2CCCO2)C1=O ZINC000008664816 204337985 /nfs/dbraw/zinc/33/79/85/204337985.db2.gz ASHNZDGMHIFFLY-OKQWNRDOSA-N 0 0 360.460 2.698 10 10 FFCERN COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1OC ZINC000014437310 506991147 /nfs/dbraw/zinc/99/11/47/506991147.db2.gz ZDLYNMZEAFURQY-UHFFFAOYSA-N 0 0 374.345 2.906 10 10 biogenic,in-vitro FFCERN Cc1ccc(C)n1-c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)c1C ZINC000071745380 507708862 /nfs/dbraw/zinc/70/88/62/507708862.db2.gz QBQAHMKCFDGLJP-BTYSMDAFSA-N 0 0 368.477 2.606 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000087249826 508344306 /nfs/dbraw/zinc/34/43/06/508344306.db2.gz ATAYQJBFJKFUFJ-MRXNPFEDSA-N 0 0 369.469 2.759 10 10 FFCERN COC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000248134887 509243096 /nfs/dbraw/zinc/24/30/96/509243096.db2.gz MLYSNRLYMHGUIA-UHFFFAOYSA-N 0 0 371.393 2.717 10 10 FFCERN CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCCn4ncnc43)cc2)CC1 ZINC000176504764 509549852 /nfs/dbraw/zinc/54/98/52/509549852.db2.gz CRLULQTZGNYTQJ-GOSISDBHSA-N 0 0 368.485 2.849 10 10 FFCERN COc1cccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1O ZINC000171853219 510411392 /nfs/dbraw/zinc/41/13/92/510411392.db2.gz VUHABAUEBWQKMS-QFBILLFUSA-N 0 0 368.433 2.627 10 10 FFCERN CS(=O)(=O)c1cccc(NCc2ccc(N3CC=CC3)cc2)c1[N+](=O)[O-] ZINC000301897262 511703345 /nfs/dbraw/zinc/70/33/45/511703345.db2.gz RCDZMQIHTQYKRO-UHFFFAOYSA-N 0 0 373.434 2.987 10 10 FFCERN COc1ccc(N2CCN(C(=O)C(=O)Nc3cc(C)ccc3C)CC2)cc1 ZINC000009859893 536675986 /nfs/dbraw/zinc/67/59/86/536675986.db2.gz UYIRGLIRVIXARA-UHFFFAOYSA-N 0 0 367.449 2.599 10 10 FFCERN COc1cc(-c2cc(=O)c3c(O)c(O)c(OC)c(OC)c3o2)ccc1O ZINC000000899085 560125789 /nfs/dbraw/zinc/12/57/89/560125789.db2.gz BAIRXMVFPKLWSE-UHFFFAOYSA-N 0 0 360.318 2.603 10 10 endogenous,in-man FFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCC[C@H]1CO ZINC000175964775 729105312 /nfs/dbraw/zinc/10/53/12/729105312.db2.gz LUNKFVVUIKPLST-WMZOPIPTSA-N 0 0 363.527 2.590 10 10 FFCERN COc1ccc(N2CCC(n3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000102505257 1003829897 /nfs/dbraw/zinc/82/98/97/1003829897.db2.gz MHFLYVMIHGGAPK-UHFFFAOYSA-N 0 0 351.406 2.540 10 10 FFCERN COc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000102700192 1004006423 /nfs/dbraw/zinc/00/64/23/1004006423.db2.gz DYBCPFMZJILIDL-CQSZACIVSA-N 0 0 359.445 2.867 10 10 FFCERN CC[C@H](C)Nc1ccc(N)c2c1C(=O)c1c([O-])ccc([N+](=O)[O-])c1C2=O ZINC000038612157 205041039 /nfs/dbraw/zinc/04/10/39/205041039.db2.gz WQNHLAKNRJAPAL-QMMMGPOBSA-N 0 0 355.350 2.868 10 10 FFCERN COC(=O)CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000040884883 205084210 /nfs/dbraw/zinc/08/42/10/205084210.db2.gz QRVRIFFWSPNEFB-XFXZXTDPSA-N 0 0 366.420 2.749 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000129819367 508769412 /nfs/dbraw/zinc/76/94/12/508769412.db2.gz CAOOCSHDWZFUGQ-NQIIRXRSSA-N 0 0 355.482 2.899 10 10 FFCERN CCc1cc(=O)n2nc(N(CC)Cc3ccc(N(C)C)cc3)sc2n1 ZINC000154381633 508772559 /nfs/dbraw/zinc/77/25/59/508772559.db2.gz WVRXGLWKDXPCEM-UHFFFAOYSA-N 0 0 357.483 2.806 10 10 FFCERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(N2CCC(O)CC2)cc1 ZINC000130794675 508847563 /nfs/dbraw/zinc/84/75/63/508847563.db2.gz MGFHBXQLBUXDCR-CVEARBPZSA-N 0 0 369.513 2.987 10 10 FFCERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000183763685 509963157 /nfs/dbraw/zinc/96/31/57/509963157.db2.gz SUZLOUYPALUFIZ-SFHVURJKSA-N 0 0 366.421 2.999 10 10 FFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000180892120 510168058 /nfs/dbraw/zinc/16/80/58/510168058.db2.gz KUXWXARRGLMMLT-SOFGYWHQSA-N 0 0 372.465 2.752 10 10 FFCERN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nnc2n1CCCC2 ZINC000178565715 510665499 /nfs/dbraw/zinc/66/54/99/510665499.db2.gz BBSQRXQSZXQIOH-HNNXBMFYSA-N 0 0 368.485 2.775 10 10 FFCERN C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCS1 ZINC000171742661 729011544 /nfs/dbraw/zinc/01/15/44/729011544.db2.gz ZCNPJRHJQVXNAP-AWEZNQCLSA-N 0 0 351.541 2.887 10 10 FFCERN Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000004297140 1004475653 /nfs/dbraw/zinc/47/56/53/1004475653.db2.gz IMEOPIIZXHUXOK-UHFFFAOYSA-N 0 0 357.385 2.746 10 10 FFCERN COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1O ZINC000002682607 204050310 /nfs/dbraw/zinc/05/03/10/204050310.db2.gz BZFDBHCAHWUIQI-KYJZABPNSA-N 0 0 351.449 2.781 10 10 FFCERN C[C@H]1C[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000075978279 508148771 /nfs/dbraw/zinc/14/87/71/508148771.db2.gz WGTKYSDQBXLMRO-XHDPSFHLSA-N 0 0 357.376 2.750 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000087250324 508344286 /nfs/dbraw/zinc/34/42/86/508344286.db2.gz QLZCIRHDSFQUML-INIZCTEOSA-N 0 0 356.474 2.583 10 10 FFCERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000155454054 509004374 /nfs/dbraw/zinc/00/43/74/509004374.db2.gz SIYRDMJDZCFGBS-SFHVURJKSA-N 0 0 366.421 2.999 10 10 FFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176591654 509599969 /nfs/dbraw/zinc/59/99/69/509599969.db2.gz QWGGBBRFNRERBA-GOSISDBHSA-N 0 0 368.485 2.945 10 10 FFCERN COc1cc(Cl)cc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1O ZINC000184690369 510464989 /nfs/dbraw/zinc/46/49/89/510464989.db2.gz DQFZQVSNPHKPPC-LLVKDONJSA-N 0 0 366.849 2.624 10 10 FFCERN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000178871981 510815356 /nfs/dbraw/zinc/81/53/56/510815356.db2.gz WBRDILFIDMFKLY-LJQANCHMSA-N 0 0 355.486 2.661 10 10 FFCERN Cn1cc([C@@H]2CCN(C(=O)NCCCSc3nccs3)C2)cn1 ZINC000154647219 728809268 /nfs/dbraw/zinc/80/92/68/728809268.db2.gz XDQNCEQFVIZLQH-GFCCVEGCSA-N 0 0 351.501 2.558 10 10 FFCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000588404830 963593866 /nfs/dbraw/zinc/59/38/66/963593866.db2.gz KOJIGKUIGSDCMZ-CHOZFAJLSA-N 0 0 350.378 2.569 10 10 FFCERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090227615 507915852 /nfs/dbraw/zinc/91/58/52/507915852.db2.gz RCFKSQIRDNFTHP-CXAGYDPISA-N 0 0 359.449 2.748 10 10 FFCERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000106209434 508398064 /nfs/dbraw/zinc/39/80/64/508398064.db2.gz FVRVGBHJSALPJU-IBGZPJMESA-N 0 0 369.513 2.556 10 10 FFCERN CC(C)[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000156404136 508415353 /nfs/dbraw/zinc/41/53/53/508415353.db2.gz SWBDHRLWRLFCQH-INIZCTEOSA-N 0 0 374.403 2.565 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000129819171 508769753 /nfs/dbraw/zinc/76/97/53/508769753.db2.gz CAOOCSHDWZFUGQ-WIYYLYMNSA-N 0 0 355.482 2.899 10 10 FFCERN O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125526292 508995329 /nfs/dbraw/zinc/99/53/29/508995329.db2.gz YBAVABYMZTZUFV-ZZXKWVIFSA-N 0 0 366.465 2.666 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000155955118 509099555 /nfs/dbraw/zinc/09/95/55/509099555.db2.gz PYYPVLNSAQZBGI-WMLDXEAASA-N 0 0 368.433 2.627 10 10 FFCERN COc1cc(Cl)cc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190156184 509974504 /nfs/dbraw/zinc/97/45/04/509974504.db2.gz FWFDPCGBQLBGIC-CHWSQXEVSA-N 0 0 353.806 2.708 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171852715 510412004 /nfs/dbraw/zinc/41/20/04/510412004.db2.gz SPUYGNLZOGBUMC-FXAWDEMLSA-N 0 0 352.434 2.960 10 10 FFCERN COc1cccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1O ZINC000171853222 510412160 /nfs/dbraw/zinc/41/21/60/510412160.db2.gz VUHABAUEBWQKMS-LPHOPBHVSA-N 0 0 368.433 2.627 10 10 FFCERN COc1ccc(O)c(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000172043035 510514098 /nfs/dbraw/zinc/51/40/98/510514098.db2.gz PQTRHKBPLCRQNP-UHFFFAOYSA-N 0 0 374.462 2.631 10 10 FFCERN C[C@@H](NC(=O)NCCCSc1nccs1)c1nnc2n1CCCC2 ZINC000120979190 728618625 /nfs/dbraw/zinc/61/86/25/728618625.db2.gz AWYHSCVAKBRZGY-LLVKDONJSA-N 0 0 366.516 2.614 10 10 FFCERN C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)O1 ZINC000246028896 729579063 /nfs/dbraw/zinc/57/90/63/729579063.db2.gz NILYGKUPUZMYRA-WWGRRREGSA-N 0 0 354.397 2.941 10 10 FFCERN CCOC(=O)CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S ZINC000040938181 205085502 /nfs/dbraw/zinc/08/55/02/205085502.db2.gz JJICRGRHHAXTNP-SDNWHVSQSA-N 0 0 364.492 2.907 10 10 FFCERN COc1cccc(CNC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c1O ZINC000068488822 507248292 /nfs/dbraw/zinc/24/82/92/507248292.db2.gz USJJTESZYMLUNU-SFHVURJKSA-N 0 0 370.449 2.780 10 10 FFCERN Cc1ncc(CN2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)s1 ZINC000111417177 508096855 /nfs/dbraw/zinc/09/68/55/508096855.db2.gz PLQFACYNNORRSL-UHFFFAOYSA-N 0 0 373.526 2.545 10 10 FFCERN CS(=O)(=O)c1cc(NCc2ccc(N3CC=CC3)cc2)ccc1[N+](=O)[O-] ZINC000125429422 508980904 /nfs/dbraw/zinc/98/09/04/508980904.db2.gz YBPMGRYIQVRNMD-UHFFFAOYSA-N 0 0 373.434 2.987 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000120805634 509068448 /nfs/dbraw/zinc/06/84/48/509068448.db2.gz BSCPBRDOAJGDCH-KRWDZBQOSA-N 0 0 366.469 2.551 10 10 FFCERN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Br)cc(F)c1[O-] ZINC000185994084 509469769 /nfs/dbraw/zinc/46/97/69/509469769.db2.gz OHSRMEZYZMZGKJ-WPRPVWTQSA-N 0 0 355.211 2.551 10 10 FFCERN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000236743590 509494045 /nfs/dbraw/zinc/49/40/45/509494045.db2.gz FEILXUILHZSNEV-SFHVURJKSA-N 0 0 357.429 2.521 10 10 FFCERN Cc1noc([C@@H](C)N2CCN(Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC000180101544 509752641 /nfs/dbraw/zinc/75/26/41/509752641.db2.gz HFFUAURNHJBTPE-GFCCVEGCSA-N 0 0 350.850 2.924 10 10 FFCERN Cc1ccc2oc(N3CCN(C(=O)c4cccc(O)c4O)CC3)nc2c1 ZINC000193066299 509762201 /nfs/dbraw/zinc/76/22/01/509762201.db2.gz BUOKMRUHAWWANG-UHFFFAOYSA-N 0 0 353.378 2.510 10 10 FFCERN COc1cccc(CNC(=O)NC[C@H]2CCN(C)c3ccccc32)c1O ZINC000174219820 510008305 /nfs/dbraw/zinc/00/83/05/510008305.db2.gz UVCXGNUBIRVDEF-CQSZACIVSA-N 0 0 355.438 2.824 10 10 FFCERN Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)n1-c1ccccn1 ZINC000181187108 510293608 /nfs/dbraw/zinc/29/36/08/510293608.db2.gz DPNTVDJBXSEXRY-INIZCTEOSA-N 0 0 350.426 2.975 10 10 FFCERN COC(=O)[C@H](C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178276220 510522976 /nfs/dbraw/zinc/52/29/76/510522976.db2.gz AQJRHGQMIPDTTL-OLZOCXBDSA-N 0 0 370.396 2.572 10 10 FFCERN COc1cc(O)c(CN2CCNC(=O)[C@@H]2c2ccc(F)cc2C)cc1OC ZINC000184910682 510577174 /nfs/dbraw/zinc/57/71/74/510577174.db2.gz ORAZBPPRCSBQCR-IBGZPJMESA-N 0 0 374.412 2.530 10 10 FFCERN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCN(CCn2cccn2)CC1 ZINC000191338380 510611528 /nfs/dbraw/zinc/61/15/28/510611528.db2.gz DJCHFRYHDZINGH-UHFFFAOYSA-N 0 0 366.868 2.978 10 10 FFCERN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F ZINC000088467629 728436797 /nfs/dbraw/zinc/43/67/97/728436797.db2.gz JDHYVXGFRXLAFE-LLVKDONJSA-N 0 0 366.414 2.702 10 10 FFCERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-n2cncn2)cc1 ZINC000588403835 963572034 /nfs/dbraw/zinc/57/20/34/963572034.db2.gz UXLTWKYTOQEFRW-YMSVAJCUSA-N 0 0 350.378 2.569 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000087058880 508334352 /nfs/dbraw/zinc/33/43/52/508334352.db2.gz AIYSIBQDXNYBHN-KRWDZBQOSA-N 0 0 368.485 2.775 10 10 FFCERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000154005045 508696432 /nfs/dbraw/zinc/69/64/32/508696432.db2.gz BLDARIRAQPUZOM-LIRRHRJNSA-N 0 0 370.449 2.601 10 10 FFCERN COc1cc(O)c(CN2CCO[C@H](c3nc(C)cs3)C2)cc1OC ZINC000160067088 508933114 /nfs/dbraw/zinc/93/31/14/508933114.db2.gz RBXGNTMZAVVYBF-INIZCTEOSA-N 0 0 350.440 2.748 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 ZINC000155955447 509099666 /nfs/dbraw/zinc/09/96/66/509099666.db2.gz PYYPVLNSAQZBGI-PBHICJAKSA-N 0 0 368.433 2.627 10 10 FFCERN Cc1nc([C@@H](NC(=O)c2ccc(C)c(O)c2O)c2ccccc2F)no1 ZINC000182450463 509243926 /nfs/dbraw/zinc/24/39/26/509243926.db2.gz OWPSWILMWFJQCX-AWEZNQCLSA-N 0 0 357.341 2.756 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c1O ZINC000192015290 509297648 /nfs/dbraw/zinc/29/76/48/509297648.db2.gz ZIVKJNMHBZEERY-HNNXBMFYSA-N 0 0 368.861 2.619 10 10 FFCERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173203410 509454096 /nfs/dbraw/zinc/45/40/96/509454096.db2.gz MOKGKCVNGZBMJY-AWEZNQCLSA-N 0 0 368.437 2.688 10 10 FFCERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Br)ccc2O)C1 ZINC000190151903 509971483 /nfs/dbraw/zinc/97/14/83/509971483.db2.gz LRJSUSCXELOKLE-CHWSQXEVSA-N 0 0 368.231 2.808 10 10 FFCERN COc1cc(Cl)cc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1O ZINC000190156147 509973450 /nfs/dbraw/zinc/97/34/50/509973450.db2.gz FWFDPCGBQLBGIC-QWHCGFSZSA-N 0 0 353.806 2.708 10 10 FFCERN CN1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000245717473 510105625 /nfs/dbraw/zinc/10/56/25/510105625.db2.gz OGZYPWIYCRXIRA-FTFNAICUSA-N 0 0 374.387 2.951 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171852717 510411755 /nfs/dbraw/zinc/41/17/55/510411755.db2.gz SPUYGNLZOGBUMC-PXNSSMCTSA-N 0 0 352.434 2.960 10 10 FFCERN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1COc2ccccc21 ZINC000194687566 510479053 /nfs/dbraw/zinc/47/90/53/510479053.db2.gz LARXYOKVUTXXMA-KRWDZBQOSA-N 0 0 371.412 2.595 10 10 FFCERN CN(C)c1ccc(CNC(=O)NCCCNC(=O)OC(C)(C)C)cc1F ZINC000103517560 1003072410 /nfs/dbraw/zinc/07/24/10/1003072410.db2.gz UMUDODBHWWAJKR-UHFFFAOYSA-N 0 0 368.453 2.606 10 10 FFCERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000111845269 508128867 /nfs/dbraw/zinc/12/88/67/508128867.db2.gz KFFNYDJTUYORSA-MRXNPFEDSA-N 0 0 359.449 2.943 10 10 FFCERN COc1cccc(CNC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1O ZINC000105651593 508379707 /nfs/dbraw/zinc/37/97/07/508379707.db2.gz MVWKVWKTVXFRFD-WBMJQRKESA-N 0 0 354.406 2.925 10 10 FFCERN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nnc2n1CCCC2 ZINC000153149593 508553045 /nfs/dbraw/zinc/55/30/45/508553045.db2.gz UMKKIIAGDNTNGQ-CYBMUJFWSA-N 0 0 369.469 2.759 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 ZINC000129612764 508746192 /nfs/dbraw/zinc/74/61/92/508746192.db2.gz JSTWRBZFOYHXBK-VQIMIIECSA-N 0 0 356.397 2.709 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000121280430 509162114 /nfs/dbraw/zinc/16/21/14/509162114.db2.gz MZFZFSVAJMKQQC-HNNXBMFYSA-N 0 0 370.501 2.973 10 10 FFCERN COc1cc(Cl)cc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1O ZINC000190156166 509973777 /nfs/dbraw/zinc/97/37/77/509973777.db2.gz FWFDPCGBQLBGIC-OLZOCXBDSA-N 0 0 353.806 2.708 10 10 FFCERN COC(=O)/C=C/c1ccc(N2CCC[C@@H]2Cn2ccnc2C)c([N+](=O)[O-])c1 ZINC000174919341 510386546 /nfs/dbraw/zinc/38/65/46/510386546.db2.gz RAPFHWJRGYKTQM-IQIBNGDESA-N 0 0 370.409 2.955 10 10 FFCERN CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000181715232 510554521 /nfs/dbraw/zinc/55/45/21/510554521.db2.gz OHGJCNXWLDABDP-INIZCTEOSA-N 0 0 370.501 2.624 10 10 FFCERN CCN(Cc1ccc(N(C)C)cc1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301799381 511701885 /nfs/dbraw/zinc/70/18/85/511701885.db2.gz ZSBVXXLNYMNPAX-UHFFFAOYSA-N 0 0 367.409 2.695 10 10 FFCERN COc1ccc(N2CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)cc1F ZINC000302069725 511704946 /nfs/dbraw/zinc/70/49/46/511704946.db2.gz VJHAFHDUOCNZCS-UHFFFAOYSA-N 0 0 361.373 2.561 10 10 FFCERN COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000009856933 536676028 /nfs/dbraw/zinc/67/60/28/536676028.db2.gz JJXVWEPKVDLPLH-UHFFFAOYSA-N 0 0 373.840 2.636 10 10 FFCERN C[C@H](O)[C@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000309971187 729740191 /nfs/dbraw/zinc/74/01/91/729740191.db2.gz POUITOUGGFGCAD-BQBZGAKWSA-N 0 0 353.054 2.776 10 10 FFCERN COc1cccc(/C=C2/SC(N3C[C@@H](C)O[C@@H](C)C3)=NC2=O)c1OC ZINC000004557517 207027791 /nfs/dbraw/zinc/02/77/91/207027791.db2.gz SHMHWMPRDAIDAB-CTNOEMEISA-N 0 0 362.451 2.783 10 10 FFCERN CCOC(=O)CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000040884863 208272353 /nfs/dbraw/zinc/27/23/53/208272353.db2.gz BMLWNYVNLXTQGO-XFXZXTDPSA-N 0 0 366.420 2.749 10 10 FFCERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(OC)c1O ZINC000068488761 507248773 /nfs/dbraw/zinc/24/87/73/507248773.db2.gz UZYWIGMQPGOYJU-RDTXWAMCSA-N 0 0 370.449 2.862 10 10 FFCERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000087250424 508344493 /nfs/dbraw/zinc/34/44/93/508344493.db2.gz QLTVVIUQUMTPAX-MRXNPFEDSA-N 0 0 368.485 2.557 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000160085457 508936513 /nfs/dbraw/zinc/93/65/13/508936513.db2.gz AERAFBWRSUFWQF-SNVBAGLBSA-N 0 0 353.344 2.898 10 10 FFCERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000189911067 509824801 /nfs/dbraw/zinc/82/48/01/509824801.db2.gz IYYSCWAZBDQHIF-OLMNPRSZSA-N 0 0 361.397 2.759 10 10 FFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCn4ncnc43)c2C)cc1 ZINC000175716061 510752673 /nfs/dbraw/zinc/75/26/73/510752673.db2.gz DYFKUXHACSJQKG-SFHVURJKSA-N 0 0 365.437 2.959 10 10 FFCERN COc1ccc([C@H](CC(=O)NCc2ccc(N(C)C)cc2)NC(C)=O)cc1 ZINC000010433391 1013323456 /nfs/dbraw/zinc/32/34/56/1013323456.db2.gz SXHZCHLWJXPHAY-FQEVSTJZSA-N 0 0 369.465 2.645 10 10 FFCERN O=C(/C=C\c1cnc2ccccc2n1)N1Cc2cnnn2Cc2ccccc21 ZINC000588562462 967138532 /nfs/dbraw/zinc/13/85/32/967138532.db2.gz VGNHNOVGTPSSRR-KTKRTIGZSA-N 0 0 368.400 2.830 10 10 FFCERN CC1CCN(c2ccc(CNC(=O)N(C)CC(=O)NC(C)(C)C)cc2)CC1 ZINC000108444334 1005670798 /nfs/dbraw/zinc/67/07/98/1005670798.db2.gz VSIKVLFCLDVDAB-UHFFFAOYSA-N 0 0 374.529 2.979 10 10 FFCERN CCOC1=NN(c2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C\N(C)C ZINC000100249856 209211611 /nfs/dbraw/zinc/21/16/11/209211611.db2.gz QQFXPOCWCZWZBZ-CLFYSBASSA-N 0 0 362.739 2.896 10 10 FFCERN COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1O ZINC000002682605 206928328 /nfs/dbraw/zinc/92/83/28/206928328.db2.gz BZFDBHCAHWUIQI-GYBQTFJISA-N 0 0 351.449 2.781 10 10 FFCERN CC(=O)NN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S ZINC000040867545 208273115 /nfs/dbraw/zinc/27/31/15/208273115.db2.gz BXUBTCNNKZHLDF-YHYXMXQVSA-N 0 0 357.800 2.501 10 10 FFCERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(OC)c1O ZINC000068488759 507248279 /nfs/dbraw/zinc/24/82/79/507248279.db2.gz UZYWIGMQPGOYJU-KDOFPFPSSA-N 0 0 370.449 2.862 10 10 FFCERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083710824 508252891 /nfs/dbraw/zinc/25/28/91/508252891.db2.gz NRGSWNBJWZUDDV-KRWDZBQOSA-N 0 0 354.458 2.521 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCn3nc(C)nc32)cc1F ZINC000083721726 508254035 /nfs/dbraw/zinc/25/40/35/508254035.db2.gz ZBNJHZQRZIDELP-INIZCTEOSA-N 0 0 374.464 2.906 10 10 FFCERN O=C(N[C@H]1CCc2ncnn2C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000175116246 510489603 /nfs/dbraw/zinc/48/96/03/510489603.db2.gz LXABZBAIRBBDRN-INIZCTEOSA-N 0 0 369.469 2.843 10 10 FFCERN CCCC(=O)N[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154656887 728809206 /nfs/dbraw/zinc/80/92/06/728809206.db2.gz OGUZMHMGCCMKKJ-ZDUSSCGKSA-N 0 0 370.544 2.716 10 10 FFCERN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000077777554 728284808 /nfs/dbraw/zinc/28/48/08/728284808.db2.gz CJFNHJWNEIKYRY-WMZOPIPTSA-N 0 0 363.527 2.590 10 10 FFCERN CNS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCCN3)c([N+](=O)[O-])c1 ZINC000261686431 729651879 /nfs/dbraw/zinc/65/18/79/729651879.db2.gz NEIJNTRQVDXXTL-UHFFFAOYSA-N 0 0 362.411 2.605 10 10 FFCERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000588404831 963593763 /nfs/dbraw/zinc/59/37/63/963593763.db2.gz KOJIGKUIGSDCMZ-KJJQSCHISA-N 0 0 350.378 2.569 10 10 FFCERN O=C(NN1C(=O)/C(=C/c2cccc(O)c2)SC1=S)c1ccc(O)cc1 ZINC000005749961 207115138 /nfs/dbraw/zinc/11/51/38/207115138.db2.gz FEYFIMYEHFQNOB-ZROIWOOFSA-N 0 0 372.427 2.644 10 10 FFCERN COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000102939444 508290113 /nfs/dbraw/zinc/29/01/13/508290113.db2.gz BGAOPRLEVQCRES-UHFFFAOYSA-N 0 0 356.422 2.510 10 10 FFCERN CCc1nnc([C@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)[nH]1 ZINC000129162341 508691726 /nfs/dbraw/zinc/69/17/26/508691726.db2.gz IXUUYACXIQQGLS-GFCCVEGCSA-N 0 0 357.241 2.953 10 10 FFCERN COc1ccccc1C(=O)N[C@H](C(=O)N(C)Cc1ccccc1O)C(C)C ZINC000120248682 508958086 /nfs/dbraw/zinc/95/80/86/508958086.db2.gz WSZRRMDWHOZHFQ-IBGZPJMESA-N 0 0 370.449 2.814 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 ZINC000155955340 509100209 /nfs/dbraw/zinc/10/02/09/509100209.db2.gz PYYPVLNSAQZBGI-YOEHRIQHSA-N 0 0 368.433 2.627 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1F ZINC000176505822 509549538 /nfs/dbraw/zinc/54/95/38/509549538.db2.gz IUZMWBLLMGZOEZ-OAHLLOKOSA-N 0 0 360.437 2.598 10 10 FFCERN Cc1ccc(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)nc1 ZINC000181312260 510351804 /nfs/dbraw/zinc/35/18/04/510351804.db2.gz BQZBQPLQKPFQHX-QPJJXVBHSA-N 0 0 354.406 2.884 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000172042817 510514374 /nfs/dbraw/zinc/51/43/74/510514374.db2.gz WDQXSRMHUPLVCL-XLIONFOSSA-N 0 0 368.433 2.627 10 10 FFCERN Cc1cc(N(C)C)ccc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301898253 511702708 /nfs/dbraw/zinc/70/27/08/511702708.db2.gz RXGQPRQGJRQYQH-UHFFFAOYSA-N 0 0 363.439 2.985 10 10 FFCERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406267 963621254 /nfs/dbraw/zinc/62/12/54/963621254.db2.gz YWJHCVGYBYYVOO-BRLPQQTGSA-N 0 0 360.454 2.510 10 10 FFCERN Cc1cccc2c1NC(=O)/C2=C1/SC(=S)N(C[C@H]2CCCO2)C1=O ZINC000008664817 207240337 /nfs/dbraw/zinc/24/03/37/207240337.db2.gz ASHNZDGMHIFFLY-NOHQBZTLSA-N 0 0 360.460 2.698 10 10 FFCERN CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(OCC)c1 ZINC000033305282 208083074 /nfs/dbraw/zinc/08/30/74/208083074.db2.gz NXBAUDLGGCYQGO-WJDWOHSUSA-N 0 0 362.451 2.787 10 10 FFCERN Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000111845271 508129076 /nfs/dbraw/zinc/12/90/76/508129076.db2.gz KFFNYDJTUYORSA-INIZCTEOSA-N 0 0 359.449 2.943 10 10 FFCERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000116928365 508571139 /nfs/dbraw/zinc/57/11/39/508571139.db2.gz NITGWUWAANNRJM-SFHVURJKSA-N 0 0 370.501 2.583 10 10 FFCERN Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c(C)n1-c1ccccn1 ZINC000135370493 508595415 /nfs/dbraw/zinc/59/54/15/508595415.db2.gz YWWKDTYLXHQWRT-AWEZNQCLSA-N 0 0 364.453 2.908 10 10 FFCERN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC000125224707 508951293 /nfs/dbraw/zinc/95/12/93/508951293.db2.gz RZPWRONSRXJHFT-UHFFFAOYSA-N 0 0 363.439 2.985 10 10 FFCERN Oc1cc2c(cc1CN1CCCC[C@@H]1c1nnc3n1CCCC3)OCO2 ZINC000160414659 508983811 /nfs/dbraw/zinc/98/38/11/508983811.db2.gz MKUXWCGPYRWHAA-CQSZACIVSA-N 0 0 356.426 2.776 10 10 FFCERN CC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)c2ccc(F)cc2C1 ZINC000185690581 509306320 /nfs/dbraw/zinc/30/63/20/509306320.db2.gz BVAQZAMCVAIVLG-KRWDZBQOSA-N 0 0 372.396 2.769 10 10 FFCERN Cc1noc([C@H](C)N2CCN(Cc3cc(Cl)cc(C)c3O)CC2)n1 ZINC000180101527 509752467 /nfs/dbraw/zinc/75/24/67/509752467.db2.gz HFFUAURNHJBTPE-LBPRGKRZSA-N 0 0 350.850 2.924 10 10 FFCERN NS(=O)(=O)c1ccc(NN=C2Sc3nc4ccccc4n3C2=O)cc1 ZINC000256498856 509944726 /nfs/dbraw/zinc/94/47/26/509944726.db2.gz GWESPXKLHYXRDQ-CYBMUJFWSA-N 0 0 373.419 2.540 10 10 FFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000180613434 510013587 /nfs/dbraw/zinc/01/35/87/510013587.db2.gz QFPROYQJHYWYII-PXUDHTSWSA-N 0 0 366.417 2.988 10 10 FFCERN Cc1ccc(N2CCC(NC(=O)/C=C/c3ccc(O)c(O)c3)CC2)nc1 ZINC000181117415 510279259 /nfs/dbraw/zinc/27/92/59/510279259.db2.gz SNWXQHORPZTMPC-QPJJXVBHSA-N 0 0 353.422 2.600 10 10 FFCERN Cc1cc(C(=O)CSC[C@@H](O)CO)c(C)n1-c1ccc(C)c(F)c1 ZINC000177420536 729136372 /nfs/dbraw/zinc/13/63/72/729136372.db2.gz VDHCGPZDEFWHSO-HNNXBMFYSA-N 0 0 351.443 2.811 10 10 FFCERN Cc1ccccc1C(=O)NN1C(=O)/C(=C\c2cccn2C)SC1=S ZINC000034840170 208111475 /nfs/dbraw/zinc/11/14/75/208111475.db2.gz WRXWWXMYLNCGCA-GXDHUFHOSA-N 0 0 357.460 2.880 10 10 FFCERN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000055112326 506680782 /nfs/dbraw/zinc/68/07/82/506680782.db2.gz MEWHHPLIEOKHTP-UHFFFAOYSA-N 0 0 372.446 2.693 10 10 FFCERN Cc1nc([C@H](NCc2cc3c(cc2O)OCO3)c2ccccc2F)no1 ZINC000114773879 508346040 /nfs/dbraw/zinc/34/60/40/508346040.db2.gz ZZHBTPHEQVTOHW-QGZVFWFLSA-N 0 0 357.341 2.831 10 10 FFCERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000249151231 509622827 /nfs/dbraw/zinc/62/28/27/509622827.db2.gz HIPYEJWFUFWPSQ-NTDBWNAOSA-N 0 0 360.454 2.650 10 10 FFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000181170691 510290438 /nfs/dbraw/zinc/29/04/38/510290438.db2.gz LNTYLBQDAAXHFQ-TUPIDYKKSA-N 0 0 368.437 2.793 10 10 FFCERN Cc1noc([C@H]2COCCN2Cc2cc(Br)cc(C)c2O)n1 ZINC000188479429 510787735 /nfs/dbraw/zinc/78/77/35/510787735.db2.gz XLGDXPPSMIEUEN-CYBMUJFWSA-N 0 0 368.231 2.728 10 10 FFCERN NC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)s3)S2)CC1 ZINC000222267626 729545882 /nfs/dbraw/zinc/54/58/82/729545882.db2.gz BCBFBJMAHQTWSY-YFHOEESVSA-N 0 0 355.872 2.569 10 10 FFCERN CCOCC[N@@H+]1CCN(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000245746786 729575326 /nfs/dbraw/zinc/57/53/26/729575326.db2.gz MWSLRXUOOCPKEY-CYBMUJFWSA-N 0 0 357.292 2.697 10 10 FFCERN COc1ccc(N2CCC(NC(=O)NCc3cccc(C)n3)CC2)cc1 ZINC000102448300 1003778899 /nfs/dbraw/zinc/77/88/99/1003778899.db2.gz BFSOMYUBFSFZJF-UHFFFAOYSA-N 0 0 354.454 2.867 10 10 FFCERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000101604310 1004882194 /nfs/dbraw/zinc/88/21/94/1004882194.db2.gz BROZOPRJNDBLBW-INIZCTEOSA-N 0 0 374.529 2.835 10 10 FFCERN CN(C)c1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1F ZINC000109439003 1005827878 /nfs/dbraw/zinc/82/78/78/1005827878.db2.gz HWUVUKWCWPXGNU-AWEZNQCLSA-N 0 0 359.401 2.531 10 10 FFCERN O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccc(O)cc1 ZINC000005772470 207116534 /nfs/dbraw/zinc/11/65/34/207116534.db2.gz VBVPWEVHFRIGEV-UVTDQMKNSA-N 0 0 356.428 2.938 10 10 FFCERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295000 507885621 /nfs/dbraw/zinc/88/56/21/507885621.db2.gz NJRWLMQIXYCQRG-MRXNPFEDSA-N 0 0 369.465 2.951 10 10 FFCERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000116928363 508571310 /nfs/dbraw/zinc/57/13/10/508571310.db2.gz NITGWUWAANNRJM-GOSISDBHSA-N 0 0 370.501 2.583 10 10 FFCERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182522382 509283352 /nfs/dbraw/zinc/28/33/52/509283352.db2.gz CPMGUHRJLPDSQR-SCLBCKFNSA-N 0 0 356.422 2.559 10 10 FFCERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c(O)c1O ZINC000182573280 509311185 /nfs/dbraw/zinc/31/11/85/509311185.db2.gz SIZHAJRJZPKXQY-CQSZACIVSA-N 0 0 356.426 2.701 10 10 FFCERN Cc1ccc([C@@H]2CN(CC(=O)N(C)Cc3ccc(N(C)C)cc3)CCO2)o1 ZINC000179508949 509485085 /nfs/dbraw/zinc/48/50/85/509485085.db2.gz GYNQYKIJXIAOHD-FQEVSTJZSA-N 0 0 371.481 2.686 10 10 FFCERN Cc1noc([C@H]2COCCN2C(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000183763668 509963492 /nfs/dbraw/zinc/96/34/92/509963492.db2.gz SUZLOUYPALUFIZ-GOSISDBHSA-N 0 0 366.421 2.999 10 10 FFCERN COc1cccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1O ZINC000171853216 510412300 /nfs/dbraw/zinc/41/23/00/510412300.db2.gz VUHABAUEBWQKMS-APWZRJJASA-N 0 0 368.433 2.627 10 10 FFCERN CC(=O)c1cc(F)cc(CN2CCCN(c3ccc(C)nn3)CC2)c1O ZINC000175644136 510709295 /nfs/dbraw/zinc/70/92/95/510709295.db2.gz LTBBGEOLHRBTPS-UHFFFAOYSA-N 0 0 358.417 2.545 10 10 FFCERN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCn4ncnc43)c2C)cc1 ZINC000175716043 510750517 /nfs/dbraw/zinc/75/05/17/510750517.db2.gz DYFKUXHACSJQKG-GOSISDBHSA-N 0 0 365.437 2.959 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000588407788 845957571 /nfs/dbraw/zinc/95/75/71/845957571.db2.gz SUBPBVXSEZITBB-AGLBCWCQSA-N 0 0 359.813 2.555 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000134774300 981256138 /nfs/dbraw/zinc/25/61/38/981256138.db2.gz VNWSITJDDLRRLB-FQEVSTJZSA-N 0 0 364.449 2.821 10 10 FFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3c(C)ccc(F)c32)c1 ZINC000110311942 1005924546 /nfs/dbraw/zinc/92/45/46/1005924546.db2.gz AHRPPPUXVJAMFH-SOFGYWHQSA-N 0 0 353.397 2.881 10 10 FFCERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(OC)c1O ZINC000068488760 507248215 /nfs/dbraw/zinc/24/82/15/507248215.db2.gz UZYWIGMQPGOYJU-KSSFIOAISA-N 0 0 370.449 2.862 10 10 FFCERN COc1ccc(N2CCCN(C(=O)C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000091171236 507962430 /nfs/dbraw/zinc/96/24/30/507962430.db2.gz YRGDOEAPMQEGHP-HXUWFJFHSA-N 0 0 354.450 2.858 10 10 FFCERN Cc1cc(F)ccc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O ZINC000101683942 508254676 /nfs/dbraw/zinc/25/46/76/508254676.db2.gz UZANQWORSHWPJB-PTNGSMBKSA-N 0 0 366.483 2.668 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000156412402 508417371 /nfs/dbraw/zinc/41/73/71/508417371.db2.gz OTUJCCZWQOGVBZ-VIFPVBQESA-N 0 0 369.343 2.564 10 10 FFCERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000154005261 508697040 /nfs/dbraw/zinc/69/70/40/508697040.db2.gz BLDARIRAQPUZOM-IFXJQAMLSA-N 0 0 370.449 2.601 10 10 FFCERN CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C12CCOCC2 ZINC000185934265 509434270 /nfs/dbraw/zinc/43/42/70/509434270.db2.gz HXLLRMJPKUHEQZ-ROUUACIJSA-N 0 0 361.486 2.526 10 10 FFCERN CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCn4ncnc43)cc2)CC1 ZINC000176504779 509549891 /nfs/dbraw/zinc/54/98/91/509549891.db2.gz CRLULQTZGNYTQJ-SFHVURJKSA-N 0 0 368.485 2.849 10 10 FFCERN COc1ccc(N2CCCN(C(=O)Nc3ccc(N(C)C)cn3)CC2)cc1 ZINC000193859640 510103393 /nfs/dbraw/zinc/10/33/93/510103393.db2.gz VBIPABKOVJINHZ-UHFFFAOYSA-N 0 0 369.469 2.900 10 10 FFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000181170706 510290667 /nfs/dbraw/zinc/29/06/67/510290667.db2.gz LNTYLBQDAAXHFQ-HQPKTYMTSA-N 0 0 368.437 2.793 10 10 FFCERN Cc1cc(O)c(CNc2ncn(CC(=O)N3CCCCCC3)n2)cc1C ZINC000187997042 510540777 /nfs/dbraw/zinc/54/07/77/510540777.db2.gz AZBWKWFKDRDBNQ-UHFFFAOYSA-N 0 0 357.458 2.615 10 10 FFCERN COC(=O)Cn1ncc2c1ncnc2Sc1ncc(C(C)(C)C)s1 ZINC000301621237 511698612 /nfs/dbraw/zinc/69/86/12/511698612.db2.gz FHDZWIUNPINQFM-UHFFFAOYSA-N 0 0 363.468 2.905 10 10 FFCERN CSc1cccc(-n2c(C)cc(C(=O)CN3CCNC(=O)CC3)c2C)c1 ZINC000103470716 1000087441 /nfs/dbraw/zinc/08/74/41/1000087441.db2.gz UMDZWUZOYRMBFK-UHFFFAOYSA-N 0 0 371.506 2.821 10 10 FFCERN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000104900806 1004863128 /nfs/dbraw/zinc/86/31/28/1004863128.db2.gz NYJZKXYMEGVRFJ-SNVBAGLBSA-N 0 0 373.800 2.521 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCO[C@@H](c2ccco2)C1 ZINC000176745334 509668261 /nfs/dbraw/zinc/66/82/61/509668261.db2.gz YEVNBCUWUSQNHF-MUPIXQSSSA-N 0 0 368.433 2.730 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000174133535 509963110 /nfs/dbraw/zinc/96/31/10/509963110.db2.gz XMIMPALZMYHXHQ-SFHVURJKSA-N 0 0 356.474 2.671 10 10 FFCERN Cc1noc([C@@H]2COCCN2Cc2cc(Br)cc(C)c2O)n1 ZINC000188479454 510787186 /nfs/dbraw/zinc/78/71/86/510787186.db2.gz XLGDXPPSMIEUEN-ZDUSSCGKSA-N 0 0 368.231 2.728 10 10 FFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247350909 510858072 /nfs/dbraw/zinc/85/80/72/510858072.db2.gz JWDJDXURBQXUTG-ZCNNSNEGSA-N 0 0 373.497 2.622 10 10 FFCERN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000098074647 508233514 /nfs/dbraw/zinc/23/35/14/508233514.db2.gz GCEVOXFDNQAHEQ-LJQANCHMSA-N 0 0 370.449 2.520 10 10 FFCERN Cn1nccc1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000155701015 509054982 /nfs/dbraw/zinc/05/49/82/509054982.db2.gz OEWXRFZDLFBYRE-UHFFFAOYSA-N 0 0 365.481 2.886 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172753417 509215071 /nfs/dbraw/zinc/21/50/71/509215071.db2.gz DWYYQMNYERDRJT-MRXNPFEDSA-N 0 0 359.495 2.702 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000588405102 963604932 /nfs/dbraw/zinc/60/49/32/963604932.db2.gz HXRXWUAICIMPPR-VGVVRCBHSA-N 0 0 360.360 2.784 10 10 FFCERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406268 963621267 /nfs/dbraw/zinc/62/12/67/963621267.db2.gz YWJHCVGYBYYVOO-VSKVDJIOSA-N 0 0 360.454 2.510 10 10 FFCERN COc1ccc(O)c([C@H](C)NC(=O)NC2CCN(c3ccccn3)CC2)c1 ZINC000103512575 1003066444 /nfs/dbraw/zinc/06/64/44/1003066444.db2.gz QBPDOLKXFFDIOD-AWEZNQCLSA-N 0 0 370.453 2.825 10 10 FFCERN CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3cc(C)cc(F)c32)c1 ZINC000110227985 1005915509 /nfs/dbraw/zinc/91/55/09/1005915509.db2.gz WNBUGBBNZUHHJR-AATRIKPKSA-N 0 0 353.397 2.881 10 10 FFCERN CCN(CC)S(=O)(=O)c1cc(C[NH+](CC)CC)c([O-])c2ncccc12 ZINC000059517974 507502784 /nfs/dbraw/zinc/50/27/84/507502784.db2.gz VEQZSOTVUJTMQQ-UHFFFAOYSA-N 0 0 365.499 2.813 10 10 FFCERN COc1ccc(N2CCCN(C(=O)C[C@H](O)c3ccccc3)CC2)cc1 ZINC000091171235 507962276 /nfs/dbraw/zinc/96/22/76/507962276.db2.gz YRGDOEAPMQEGHP-FQEVSTJZSA-N 0 0 354.450 2.858 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1F ZINC000129001747 508669743 /nfs/dbraw/zinc/66/97/43/508669743.db2.gz BBJGPWJPVZUCNH-MRXNPFEDSA-N 0 0 358.417 2.650 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2nc(C)no2)c1O ZINC000161006580 509059519 /nfs/dbraw/zinc/05/95/19/509059519.db2.gz RXQKZLSTNFWRDL-CQSZACIVSA-N 0 0 351.790 2.513 10 10 FFCERN COc1ccc(O)c(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000172042822 510513899 /nfs/dbraw/zinc/51/38/99/510513899.db2.gz WDQXSRMHUPLVCL-FXAWDEMLSA-N 0 0 368.433 2.627 10 10 FFCERN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247350893 510858258 /nfs/dbraw/zinc/85/82/58/510858258.db2.gz JWDJDXURBQXUTG-XUVXKRRUSA-N 0 0 373.497 2.622 10 10 FFCERN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000114374975 728559894 /nfs/dbraw/zinc/55/98/94/728559894.db2.gz IJTRRPSQPSJZME-LBPRGKRZSA-N 0 0 364.496 2.952 10 10 FFCERN CCc1noc([C@@H](C)N2CCN(Cc3cc(Cl)ccc3O)CC2)n1 ZINC000121381033 728625897 /nfs/dbraw/zinc/62/58/97/728625897.db2.gz TTZRZOIHRYERGP-GFCCVEGCSA-N 0 0 350.850 2.870 10 10 FFCERN Cc1noc(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000102033906 1004995361 /nfs/dbraw/zinc/99/53/61/1004995361.db2.gz FLDWNFRROYPYKP-UHFFFAOYSA-N 0 0 356.382 2.631 10 10 FFCERN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000028495410 210183971 /nfs/dbraw/zinc/18/39/71/210183971.db2.gz UQQSLVDMMLIHFE-QGZVFWFLSA-N 0 0 355.438 2.609 10 10 FFCERN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 ZINC000028495407 210183123 /nfs/dbraw/zinc/18/31/23/210183123.db2.gz UQQSLVDMMLIHFE-KRWDZBQOSA-N 0 0 355.438 2.609 10 10 FFCERN O=C(CNC(=O)N(Cc1ccccc1O)C1CCCCC1)NCC1CC1 ZINC000183783550 509971990 /nfs/dbraw/zinc/97/19/90/509971990.db2.gz NRLRBNMCJVVVIG-UHFFFAOYSA-N 0 0 359.470 2.763 10 10 FFCERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(O)c1O ZINC000177664855 510187799 /nfs/dbraw/zinc/18/77/99/510187799.db2.gz NQXGZUWGLBFKIR-CQSZACIVSA-N 0 0 354.406 2.897 10 10 FFCERN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)c(F)c1[O-] ZINC000191221865 510555809 /nfs/dbraw/zinc/55/58/09/510555809.db2.gz YDMOYSWSLAEIMY-SJCJKPOMSA-N 0 0 358.454 2.529 10 10 FFCERN CCn1cc([C@H]2CN(Cc3cc(Cl)cc(OC)c3O)CCO2)cn1 ZINC000191707946 510795712 /nfs/dbraw/zinc/79/57/12/510795712.db2.gz OSZKKFMYQJOAEA-MRXNPFEDSA-N 0 0 351.834 2.844 10 10 FFCERN CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092708298 728470293 /nfs/dbraw/zinc/47/02/93/728470293.db2.gz ILYMMZQYHYKZMC-CYBMUJFWSA-N 0 0 355.822 2.835 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246765422 729590452 /nfs/dbraw/zinc/59/04/52/729590452.db2.gz PAZFBOAMBCADQM-CVEARBPZSA-N 0 0 361.511 2.683 10 10 FFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090227610 507915678 /nfs/dbraw/zinc/91/56/78/507915678.db2.gz RCFKSQIRDNFTHP-GUYCJALGSA-N 0 0 359.449 2.748 10 10 FFCERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000083749866 508256846 /nfs/dbraw/zinc/25/68/46/508256846.db2.gz KKWZONJHFNAOFU-INIZCTEOSA-N 0 0 355.442 2.505 10 10 FFCERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000106209435 508397865 /nfs/dbraw/zinc/39/78/65/508397865.db2.gz FVRVGBHJSALPJU-LJQANCHMSA-N 0 0 369.513 2.556 10 10 FFCERN Cn1nccc1C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000158103787 508658017 /nfs/dbraw/zinc/65/80/17/508658017.db2.gz KDTZBLUTJKLWCG-UHFFFAOYSA-N 0 0 367.497 2.892 10 10 FFCERN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000120223368 508953843 /nfs/dbraw/zinc/95/38/43/508953843.db2.gz MXHYQLYXUHXIIS-QGZVFWFLSA-N 0 0 359.470 2.715 10 10 FFCERN Cc1cc(C(=O)N2CCC(n3cncn3)CC2)c(C)n1-c1ccccn1 ZINC000120394465 508987285 /nfs/dbraw/zinc/98/72/85/508987285.db2.gz KAUVNTRIVURXKR-UHFFFAOYSA-N 0 0 350.426 2.558 10 10 FFCERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000161552336 509128660 /nfs/dbraw/zinc/12/86/60/509128660.db2.gz NRJHWDMGXBTLTA-MRXNPFEDSA-N 0 0 370.501 2.624 10 10 FFCERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000176036985 509286752 /nfs/dbraw/zinc/28/67/52/509286752.db2.gz DGFWOADLNCHHQC-INIZCTEOSA-N 0 0 359.449 2.771 10 10 FFCERN Cc1nc(CN2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cs1 ZINC000179483970 509470292 /nfs/dbraw/zinc/47/02/92/509470292.db2.gz ZMNBYVFBOWZRPQ-UHFFFAOYSA-N 0 0 361.467 2.519 10 10 FFCERN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176591671 509599493 /nfs/dbraw/zinc/59/94/93/509599493.db2.gz QWGGBBRFNRERBA-SFHVURJKSA-N 0 0 368.485 2.945 10 10 FFCERN Cn1cc([C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2O)cn1 ZINC000183264139 509686884 /nfs/dbraw/zinc/68/68/84/509686884.db2.gz PHABXPJVFROZPC-QGZVFWFLSA-N 0 0 372.469 2.920 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1O ZINC000177139896 509895631 /nfs/dbraw/zinc/89/56/31/509895631.db2.gz PGSPZBNTOZNTNS-INIZCTEOSA-N 0 0 363.845 2.654 10 10 FFCERN CC(C)NC(=O)CSc1ccccc1C(=O)N1CCS[C@@H](C)C1 ZINC000171580394 510235338 /nfs/dbraw/zinc/23/53/38/510235338.db2.gz RDKVZADTTROMRR-ZDUSSCGKSA-N 0 0 352.525 2.881 10 10 FFCERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C)n1-c1ccccn1 ZINC000181187088 510294028 /nfs/dbraw/zinc/29/40/28/510294028.db2.gz DPNTVDJBXSEXRY-MRXNPFEDSA-N 0 0 350.426 2.975 10 10 FFCERN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)c(F)c1[O-] ZINC000191221875 510555345 /nfs/dbraw/zinc/55/53/45/510555345.db2.gz YDMOYSWSLAEIMY-PXAZEXFGSA-N 0 0 358.454 2.529 10 10 FFCERN CC(C)SC1=NSC2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(=N)N12 ZINC000096450447 728481170 /nfs/dbraw/zinc/48/11/70/728481170.db2.gz GUBOJMJIBYDYNR-QAFMXRTKSA-N 0 0 365.396 2.906 10 10 FFCERN CCN(Cc1nnnn1C(C)C)Cc1cc(Br)ccc1O ZINC000174424718 729071624 /nfs/dbraw/zinc/07/16/24/729071624.db2.gz VTZNZZVNICQOIU-UHFFFAOYSA-N 0 0 354.252 2.744 10 10 FFCERN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000175964757 729105298 /nfs/dbraw/zinc/10/52/98/729105298.db2.gz LUNKFVVUIKPLST-FUHWJXTLSA-N 0 0 363.527 2.590 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000588406396 963621527 /nfs/dbraw/zinc/62/15/27/963621527.db2.gz JWEPZBTTWRNCGE-VURMDHGXSA-N 0 0 372.465 2.799 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000087250423 508344927 /nfs/dbraw/zinc/34/49/27/508344927.db2.gz QLTVVIUQUMTPAX-INIZCTEOSA-N 0 0 368.485 2.557 10 10 FFCERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000154004955 508696214 /nfs/dbraw/zinc/69/62/14/508696214.db2.gz BLDARIRAQPUZOM-KUHUBIRLSA-N 0 0 370.449 2.601 10 10 FFCERN CC[N@H+](CC(=O)[O-])C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000186689834 509854185 /nfs/dbraw/zinc/85/41/85/509854185.db2.gz UGRMLYWIMLLIHB-UHFFFAOYSA-N 0 0 368.861 2.619 10 10 FFCERN COc1cc(Cl)cc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1O ZINC000184690920 510464575 /nfs/dbraw/zinc/46/45/75/510464575.db2.gz VGJKRQPYUIMSNM-MRXNPFEDSA-N 0 0 365.861 2.769 10 10 FFCERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cn1 ZINC000172116341 510551868 /nfs/dbraw/zinc/55/18/68/510551868.db2.gz VUFFKHYBNFDTKI-QGZVFWFLSA-N 0 0 353.470 2.719 10 10 FFCERN C[C@@H](O)[C@@H](C)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000309971191 729740077 /nfs/dbraw/zinc/74/00/77/729740077.db2.gz POUITOUGGFGCAD-RNFRBKRXSA-N 0 0 353.054 2.776 10 10 FFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@@H](C)c3cccc(O)c32)c1 ZINC000588480174 965631768 /nfs/dbraw/zinc/63/17/68/965631768.db2.gz HFAWSYMSFIPOBK-FMFIFOJESA-N 0 0 351.406 2.700 10 10 FFCERN CC1CCN(c2ccc(CNC(=O)NCCCN3CCCC3=O)cc2)CC1 ZINC000108443848 507894688 /nfs/dbraw/zinc/89/46/88/507894688.db2.gz HOOCYEKHZCBVHH-UHFFFAOYSA-N 0 0 372.513 2.735 10 10 FFCERN C[C@H]1CN(C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CCO1 ZINC000092079173 508041832 /nfs/dbraw/zinc/04/18/32/508041832.db2.gz SDELEXSKDANRTA-LBPRGKRZSA-N 0 0 369.849 2.639 10 10 FFCERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000075978273 508148981 /nfs/dbraw/zinc/14/89/81/508148981.db2.gz WGTKYSDQBXLMRO-ABAIWWIYSA-N 0 0 357.376 2.750 10 10 FFCERN COc1cccc(CNC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1O ZINC000105651597 508379806 /nfs/dbraw/zinc/37/98/06/508379806.db2.gz MVWKVWKTVXFRFD-LRDDRELGSA-N 0 0 354.406 2.925 10 10 FFCERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000117619561 508607129 /nfs/dbraw/zinc/60/71/29/508607129.db2.gz AIFNIBNAABCANU-VLIAUNLRSA-N 0 0 370.424 2.843 10 10 FFCERN CCOc1cccc(CN2CCN([C@@H](C)c3nc(CC)no3)CC2)c1O ZINC000121379933 509170532 /nfs/dbraw/zinc/17/05/32/509170532.db2.gz HFXXWJGQQQNZPX-AWEZNQCLSA-N 0 0 360.458 2.615 10 10 FFCERN COC(=O)[C@@H](C)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178276181 510523411 /nfs/dbraw/zinc/52/34/11/510523411.db2.gz AQJRHGQMIPDTTL-QWHCGFSZSA-N 0 0 370.396 2.572 10 10 FFCERN O=C(NCCCSc1nccs1)N1CCC[C@@H]1Cn1ccnc1 ZINC000154658838 728809258 /nfs/dbraw/zinc/80/92/58/728809258.db2.gz QUJLIMVUXCIPRM-CYBMUJFWSA-N 0 0 351.501 2.696 10 10 FFCERN COc1cc(N2CCN(C(=O)/C=C\C(C)(C)C)CC2)cc(OC)c1OC ZINC000588454163 965220816 /nfs/dbraw/zinc/22/08/16/965220816.db2.gz XGFHVRPMTYAIAW-FPLPWBNLSA-N 0 0 362.470 2.963 10 10 FFCERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090227613 507915695 /nfs/dbraw/zinc/91/56/95/507915695.db2.gz RCFKSQIRDNFTHP-DYVFJYSZSA-N 0 0 359.449 2.748 10 10 FFCERN COC(=O)/C=C/c1ccc(N2CCC(Cn3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000110583170 508034943 /nfs/dbraw/zinc/03/49/43/508034943.db2.gz OTCAFAGVGUWKGO-GQCTYLIASA-N 0 0 370.409 2.894 10 10 FFCERN COc1cccc(CNC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1O ZINC000105651601 508379908 /nfs/dbraw/zinc/37/99/08/508379908.db2.gz MVWKVWKTVXFRFD-MLGOLLRUSA-N 0 0 354.406 2.925 10 10 FFCERN Cc1cc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(C)n1-c1ccccn1 ZINC000127772796 508498102 /nfs/dbraw/zinc/49/81/02/508498102.db2.gz QSFFCFKSWAYOIT-QGZVFWFLSA-N 0 0 364.453 2.633 10 10 FFCERN Cc1cc(Br)cc(CN2CCO[C@@H](Cn3cccn3)C2)c1O ZINC000180128092 509767473 /nfs/dbraw/zinc/76/74/73/509767473.db2.gz MIKLFXRJWQNUSB-OAHLLOKOSA-N 0 0 366.259 2.561 10 10 FFCERN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000171753668 510349762 /nfs/dbraw/zinc/34/97/62/510349762.db2.gz DYAWQAKAUFGHIY-UXHICEINSA-N 0 0 351.450 2.744 10 10 FFCERN Cn1cc([C@@H]2CCCN2C(=O)NCCCSc2nccs2)cn1 ZINC000154654503 728809236 /nfs/dbraw/zinc/80/92/36/728809236.db2.gz SCYMRBIQEZNLCQ-ZDUSSCGKSA-N 0 0 351.501 2.906 10 10 FFCERN CNC(=O)c1cncc(/C=C\C(=O)N2CC[C@H](C)c3cccc(O)c32)c1 ZINC000588480176 965631336 /nfs/dbraw/zinc/63/13/36/965631336.db2.gz HFAWSYMSFIPOBK-FWWRYZNZSA-N 0 0 351.406 2.700 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111088378 508070081 /nfs/dbraw/zinc/07/00/81/508070081.db2.gz SBDWMPLRHOCXNN-MRXNPFEDSA-N 0 0 370.478 2.893 10 10 FFCERN COc1ccc(N2CCCN(C(=O)[C@H]3CCCn4ccnc43)CC2)cc1 ZINC000080582581 508085758 /nfs/dbraw/zinc/08/57/58/508085758.db2.gz DCGFOGNECHFAOF-SFHVURJKSA-N 0 0 354.454 2.508 10 10 FFCERN C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000075978274 508149116 /nfs/dbraw/zinc/14/91/16/508149116.db2.gz WGTKYSDQBXLMRO-NHYWBVRUSA-N 0 0 357.376 2.750 10 10 FFCERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000083749867 508257069 /nfs/dbraw/zinc/25/70/69/508257069.db2.gz KKWZONJHFNAOFU-MRXNPFEDSA-N 0 0 355.442 2.505 10 10 FFCERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000117619565 508607433 /nfs/dbraw/zinc/60/74/33/508607433.db2.gz AIFNIBNAABCANU-XOBRGWDASA-N 0 0 370.424 2.843 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CCC(Cc3nccn3C)CC2)cc1F ZINC000128772257 508641593 /nfs/dbraw/zinc/64/15/93/508641593.db2.gz XIGZNYVAOKJVIU-UHFFFAOYSA-N 0 0 373.476 2.790 10 10 FFCERN CN1CCCc2cc(CNC(=O)N3CCC(c4cc[nH]n4)CC3)ccc21 ZINC000158102678 508658062 /nfs/dbraw/zinc/65/80/62/508658062.db2.gz PFEUEUWHSRPDOV-UHFFFAOYSA-N 0 0 353.470 2.881 10 10 FFCERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Br)ccc2O)C1 ZINC000190151853 509971223 /nfs/dbraw/zinc/97/12/23/509971223.db2.gz LRJSUSCXELOKLE-STQMWFEESA-N 0 0 368.231 2.808 10 10 FFCERN Cc1csc([C@H]2COCCN2Cc2ccc(N3CCOCC3)cc2)n1 ZINC000190406501 510113398 /nfs/dbraw/zinc/11/33/98/510113398.db2.gz YTICAXYFDDPKAO-GOSISDBHSA-N 0 0 359.495 2.862 10 10 FFCERN COc1ccc(N2CCCN(C(=O)c3nc(C)c(C)nc3C)CC2)cc1 ZINC000184791810 510518228 /nfs/dbraw/zinc/51/82/28/510518228.db2.gz RNPXTIYQTXLOEL-UHFFFAOYSA-N 0 0 354.454 2.763 10 10 FFCERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N(CC)CC)cc1)CC2 ZINC000172312322 510662826 /nfs/dbraw/zinc/66/28/26/510662826.db2.gz DTSMTWBIVFSLOD-MRXNPFEDSA-N 0 0 370.501 2.501 10 10 FFCERN CCCC(=O)N[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154656782 728809224 /nfs/dbraw/zinc/80/92/24/728809224.db2.gz OGUZMHMGCCMKKJ-CYBMUJFWSA-N 0 0 370.544 2.716 10 10 FFCERN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-n2cncn2)cc1 ZINC000588403836 963572004 /nfs/dbraw/zinc/57/20/04/963572004.db2.gz UXLTWKYTOQEFRW-ZCMXANCESA-N 0 0 350.378 2.569 10 10 FFCERN O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000108787726 507918406 /nfs/dbraw/zinc/91/84/06/507918406.db2.gz PLIXEADBBZLWLQ-KRZKXXONSA-N 0 0 366.465 2.666 10 10 FFCERN Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)c(C)n1-c1ccc(F)cc1 ZINC000112651997 508205734 /nfs/dbraw/zinc/20/57/34/508205734.db2.gz ANPLOKKQHNHAPO-HNNXBMFYSA-N 0 0 353.401 2.570 10 10 FFCERN CCOc1cccc(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c1O ZINC000185767513 509345768 /nfs/dbraw/zinc/34/57/68/509345768.db2.gz JGRCRBUHCKWTSA-UHFFFAOYSA-N 0 0 354.410 2.778 10 10 FFCERN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000173607438 509673288 /nfs/dbraw/zinc/67/32/88/509673288.db2.gz BKHLLWMJUPKXIY-SFHVURJKSA-N 0 0 365.437 2.734 10 10 FFCERN COc1ccc([C@@H](CC(=O)NCc2ccc(N(C)C)cc2)NC(C)=O)cc1 ZINC000010433392 1013323492 /nfs/dbraw/zinc/32/34/92/1013323492.db2.gz SXHZCHLWJXPHAY-HXUWFJFHSA-N 0 0 369.465 2.645 10 10 FFCERN CCC(=O)Nc1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)cc1 ZINC000021024301 220349113 /nfs/dbraw/zinc/34/91/13/220349113.db2.gz XQJURWUJWBTHNL-UHFFFAOYSA-N 0 0 350.378 2.515 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3nccs3)C2)cc1F ZINC000111845219 508128697 /nfs/dbraw/zinc/12/86/97/508128697.db2.gz YKZSSXCIMDXDAB-OAHLLOKOSA-N 0 0 364.446 2.631 10 10 FFCERN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000127977053 508530075 /nfs/dbraw/zinc/53/00/75/508530075.db2.gz GZWIYRWPIFIXSE-NOJXGMQYSA-N 0 0 360.457 2.991 10 10 FFCERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000117619568 508607729 /nfs/dbraw/zinc/60/77/29/508607729.db2.gz AIFNIBNAABCANU-JLTOFOAXSA-N 0 0 370.424 2.843 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000172116377 510551381 /nfs/dbraw/zinc/55/13/81/510551381.db2.gz HQAJFCBRLSKENT-KRWDZBQOSA-N 0 0 355.486 2.965 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174317312 729068886 /nfs/dbraw/zinc/06/88/86/729068886.db2.gz PAZFBOAMBCADQM-HZPDHXFCSA-N 0 0 361.511 2.683 10 10 FFCERN CN(C)c1ccc(CNC(=O)N2CCC(Cn3cccn3)CC2)cc1F ZINC000158086417 508655379 /nfs/dbraw/zinc/65/53/79/508655379.db2.gz LXGZWMDWQHPICO-UHFFFAOYSA-N 0 0 359.449 2.710 10 10 FFCERN CCc1nnc([C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CCO2)[nH]1 ZINC000129162114 508691846 /nfs/dbraw/zinc/69/18/46/508691846.db2.gz IXUUYACXIQQGLS-LBPRGKRZSA-N 0 0 357.241 2.953 10 10 FFCERN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1O ZINC000177139913 509895255 /nfs/dbraw/zinc/89/52/55/509895255.db2.gz PGSPZBNTOZNTNS-MRXNPFEDSA-N 0 0 363.845 2.654 10 10 FFCERN CCOc1ccc(O)c(CNc2cccc3c2CCN3C(=O)COC)c1 ZINC000184130188 510151422 /nfs/dbraw/zinc/15/14/22/510151422.db2.gz SEFDWVMFEBNQHN-UHFFFAOYSA-N 0 0 356.422 2.939 10 10 FFCERN COC(=O)[C@@H](C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178276206 510523327 /nfs/dbraw/zinc/52/33/27/510523327.db2.gz AQJRHGQMIPDTTL-STQMWFEESA-N 0 0 370.396 2.572 10 10 FFCERN CCCN(Cc1ccccc1O)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000301774290 511701360 /nfs/dbraw/zinc/70/13/60/511701360.db2.gz QHLHTYRJMBRJHC-UHFFFAOYSA-N 0 0 354.366 2.725 10 10 FFCERN CCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)OC)C1=O ZINC000040937844 220924705 /nfs/dbraw/zinc/92/47/05/220924705.db2.gz WMIZKBQVGFVVNV-JLHYYAGUSA-N 0 0 351.449 2.850 10 10 FFCERN COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(OC)c1OC)C2=O ZINC000014647443 506996180 /nfs/dbraw/zinc/99/61/80/506996180.db2.gz FVJRXHCWZJCSIH-UHFFFAOYSA-N 0 0 372.373 2.813 10 10 FFCERN Cc1noc(CCNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000108444174 507895093 /nfs/dbraw/zinc/89/50/93/507895093.db2.gz WMHDCMUCZYKYGB-UHFFFAOYSA-N 0 0 357.458 2.656 10 10 FFCERN C[C@@H]1CN(C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)CCO1 ZINC000092079172 508041363 /nfs/dbraw/zinc/04/13/63/508041363.db2.gz SDELEXSKDANRTA-GFCCVEGCSA-N 0 0 369.849 2.639 10 10 FFCERN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCn3nc(C)nc32)cc1F ZINC000083721724 508253998 /nfs/dbraw/zinc/25/39/98/508253998.db2.gz ZBNJHZQRZIDELP-MRXNPFEDSA-N 0 0 374.464 2.906 10 10 FFCERN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000155696285 509054388 /nfs/dbraw/zinc/05/43/88/509054388.db2.gz TXQGYRVOESGJLX-KRWDZBQOSA-N 0 0 370.478 2.802 10 10 FFCERN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000181073438 510268147 /nfs/dbraw/zinc/26/81/47/510268147.db2.gz GWISSEKTFSBJPA-FNORWQNLSA-N 0 0 372.446 2.547 10 10 FFCERN O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@H](N2CCCC2)C1 ZINC000175338669 510596376 /nfs/dbraw/zinc/59/63/76/510596376.db2.gz WMSKZSCXTCIMBK-HNNXBMFYSA-N 0 0 374.440 2.772 10 10 FFCERN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000588406157 963619467 /nfs/dbraw/zinc/61/94/67/963619467.db2.gz QOKQUUVPZLDLNP-XFFZJAGNSA-N 0 0 366.417 2.944 10 10 FFCERN O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)cc1 ZINC000015035947 220143204 /nfs/dbraw/zinc/14/32/04/220143204.db2.gz MQADZGZJOHLFGM-JYRVWZFOSA-N 0 0 360.416 2.825 10 10 FFCERN Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)o1 ZINC000016929948 220197461 /nfs/dbraw/zinc/19/74/61/220197461.db2.gz PAVUSEOCJANBMT-JYRVWZFOSA-N 0 0 360.416 2.840 10 10 FFCERN Nc1ccc(NC(=O)CCCn2cc(Br)ccc2=O)cc1 ZINC000019803258 220298350 /nfs/dbraw/zinc/29/83/50/220298350.db2.gz LTEQBIFUQLNVPE-UHFFFAOYSA-N 0 0 350.216 2.612 10 10 FFCERN CN(C)c1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000039835362 220867259 /nfs/dbraw/zinc/86/72/59/220867259.db2.gz AINIYOKYARQLTG-BHTJOUODSA-N 0 0 374.469 2.935 10 10 FFCERN O=C(CN1CCN(c2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1 ZINC000052537384 132206336 /nfs/dbraw/zinc/20/63/36/132206336.db2.gz VJTHGYLWYQOBRG-UHFFFAOYSA-N 0 0 373.840 2.829 10 10 FFCERN COc1ccc(N2CCCN(CC(=O)Nc3nc(C)cs3)CC2)cc1 ZINC000053774457 506442778 /nfs/dbraw/zinc/44/27/78/506442778.db2.gz HTSNRGIPYDAGHI-UHFFFAOYSA-N 0 0 360.483 2.611 10 10 FFCERN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nnc2n1CCCC2 ZINC000153451166 508584575 /nfs/dbraw/zinc/58/45/75/508584575.db2.gz BZMRYLCNTJMMMS-CQSZACIVSA-N 0 0 356.474 2.583 10 10 FFCERN O=C(c1cccc2c1C(=O)c1ccccc1C2=O)N1CC[C@]2(CCOC2)C1 ZINC000155215129 508950023 /nfs/dbraw/zinc/95/00/23/508950023.db2.gz WWBUTFGQRSWGBM-QFIPXVFZSA-N 0 0 361.397 2.715 10 10 FFCERN Cc1nnc([C@H]2CN(C(=O)c3sccc3-n3c(C)ccc3C)CCO2)[nH]1 ZINC000173526430 509641115 /nfs/dbraw/zinc/64/11/15/509641115.db2.gz DOMDDZUQOJUQKX-OAHLLOKOSA-N 0 0 371.466 2.796 10 10 FFCERN Cc1cc(C(=O)N2CC(=O)Nc3c(C)ccnc32)c(C)n1-c1ccccn1 ZINC000181037397 510250535 /nfs/dbraw/zinc/25/05/35/510250535.db2.gz MEJKXJKMJPSWIY-UHFFFAOYSA-N 0 0 361.405 2.791 10 10 FFCERN CCn1cc([C@@H]2CN(Cc3cc(Br)ccc3O)CCO2)cn1 ZINC000191704998 510793718 /nfs/dbraw/zinc/79/37/18/510793718.db2.gz FGXZECFYMXTROP-INIZCTEOSA-N 0 0 366.259 2.945 10 10 FFCERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)O1 ZINC000157664927 728874811 /nfs/dbraw/zinc/87/48/11/728874811.db2.gz NILYGKUPUZMYRA-XJKCOSOUSA-N 0 0 354.397 2.941 10 10 FFCERN CN(Cc1ccccc1O)C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000108244674 728520529 /nfs/dbraw/zinc/52/05/29/728520529.db2.gz ZFTXUZYOXOSBLE-UHFFFAOYSA-N 0 0 362.426 2.862 10 10 FFCERN O=C(NCCCSc1nccs1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120982151 728618537 /nfs/dbraw/zinc/61/85/37/728618537.db2.gz NALMSWVWCCFOQR-CZUORRHYSA-N 0 0 355.529 2.962 10 10 FFCERN O=C(/C=C\c1ccncn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000588437084 964785058 /nfs/dbraw/zinc/78/50/58/964785058.db2.gz KGCKIZJYFGLJEM-VURMDHGXSA-N 0 0 355.353 2.904 10 10 FFCERN Nc1ccc(O)c(CNC(=O)c2ccccc2I)c1 ZINC000036737556 220827928 /nfs/dbraw/zinc/82/79/28/220827928.db2.gz OTPQPOLQHPXBCT-UHFFFAOYSA-N 0 0 368.174 2.509 10 10 FFCERN Cc1ccccc1CNC(=O)C1=C2CCCN2c2ccccc2S1(=O)=O ZINC000065239783 221184269 /nfs/dbraw/zinc/18/42/69/221184269.db2.gz ZOUNQNSJLKHBIC-UHFFFAOYSA-N 0 0 368.458 2.911 10 10 FFCERN Cc1ccccc1C(=O)N[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)C ZINC000098074646 508233603 /nfs/dbraw/zinc/23/36/03/508233603.db2.gz GCEVOXFDNQAHEQ-IBGZPJMESA-N 0 0 370.449 2.520 10 10 FFCERN COc1ccc(O)c(CNC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000128507706 508603277 /nfs/dbraw/zinc/60/32/77/508603277.db2.gz FPXDWSVOXASUHE-UHFFFAOYSA-N 0 0 361.467 2.931 10 10 FFCERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182522322 509282910 /nfs/dbraw/zinc/28/29/10/509282910.db2.gz CPMGUHRJLPDSQR-ACJLOTCBSA-N 0 0 356.422 2.559 10 10 FFCERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000182522344 509283427 /nfs/dbraw/zinc/28/34/27/509283427.db2.gz CPMGUHRJLPDSQR-UGSOOPFHSA-N 0 0 356.422 2.559 10 10 FFCERN Cn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2O)cn1 ZINC000183264117 509686475 /nfs/dbraw/zinc/68/64/75/509686475.db2.gz PHABXPJVFROZPC-KRWDZBQOSA-N 0 0 372.469 2.920 10 10 FFCERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCSc1nccs1 ZINC000154459906 728804946 /nfs/dbraw/zinc/80/49/46/728804946.db2.gz PQTHSZZESDBZJZ-NSHDSACASA-N 0 0 366.516 2.614 10 10 FFCERN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(-n2ccnn2)cc1 ZINC000588406000 963617956 /nfs/dbraw/zinc/61/79/56/963617956.db2.gz APYUJJABAPLDGP-YMSVAJCUSA-N 0 0 350.378 2.569 10 10 FFCERN O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(O)c1 ZINC000016922326 220197160 /nfs/dbraw/zinc/19/71/60/220197160.db2.gz NPNKHNZFKDBMAL-JYRVWZFOSA-N 0 0 360.416 2.825 10 10 FFCERN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000112712443 508213912 /nfs/dbraw/zinc/21/39/12/508213912.db2.gz RANNRBMFGLZZOZ-UHFFFAOYSA-N 0 0 355.486 2.877 10 10 FFCERN COc1ccc(N2CCN(C(=O)CSCc3cc(C)on3)CC2)cc1 ZINC000106059528 508390964 /nfs/dbraw/zinc/39/09/64/508390964.db2.gz FIVRRZGYKZGXQB-UHFFFAOYSA-N 0 0 361.467 2.574 10 10 FFCERN Cn1cc([C@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)cn1 ZINC000116539834 508527253 /nfs/dbraw/zinc/52/72/53/508527253.db2.gz XHOFGRICXQEFPZ-KRWDZBQOSA-N 0 0 353.470 2.502 10 10 FFCERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000130761327 508842752 /nfs/dbraw/zinc/84/27/52/508842752.db2.gz KESIDNJHIZPKQJ-CVEARBPZSA-N 0 0 355.486 2.863 10 10 FFCERN CN(Cc1ccccc1O)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000160085589 508936823 /nfs/dbraw/zinc/93/68/23/508936823.db2.gz AERAFBWRSUFWQF-JTQLQIEISA-N 0 0 353.344 2.898 10 10 FFCERN COc1cc([N+](=O)[O-])c(N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1OC ZINC000186149066 509546367 /nfs/dbraw/zinc/54/63/67/509546367.db2.gz UVPALCUUDUGIDN-STQMWFEESA-N 0 0 364.423 2.886 10 10 FFCERN Cc1cc(C(=O)CN(C)CC(=O)NC2CC2)c(C)n1-c1ccc(F)cc1 ZINC000007247653 1005783900 /nfs/dbraw/zinc/78/39/00/1005783900.db2.gz PNXYFSCMYWMKLA-UHFFFAOYSA-N 0 0 357.429 2.626 10 10 FFCERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000109184479 132244715 /nfs/dbraw/zinc/24/47/15/132244715.db2.gz FWLANLHGCNEJAF-OAHLLOKOSA-N 0 0 367.449 2.973 10 10 FFCERN COc1cccc(CNC(=O)NC2CCN(c3cccc(C)n3)CC2)c1O ZINC000074304549 508009098 /nfs/dbraw/zinc/00/90/98/508009098.db2.gz WKAPRCIIEIQHFO-UHFFFAOYSA-N 0 0 370.453 2.572 10 10 FFCERN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172753414 509213288 /nfs/dbraw/zinc/21/32/88/509213288.db2.gz DWYYQMNYERDRJT-INIZCTEOSA-N 0 0 359.495 2.702 10 10 FFCERN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1Cc2cnnn2Cc2ccccc21 ZINC000189300942 509507754 /nfs/dbraw/zinc/50/77/54/509507754.db2.gz YKGWKONDJVNYCH-MDZDMXLPSA-N 0 0 361.361 2.795 10 10 FFCERN Cn1cc([C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cn1 ZINC000172116349 510551949 /nfs/dbraw/zinc/55/19/49/510551949.db2.gz VUFFKHYBNFDTKI-KRWDZBQOSA-N 0 0 353.470 2.719 10 10 FFCERN