smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCc1ccccc1 ZINC000005433630 291355776 /nfs/dbraw/zinc/35/57/76/291355776.db2.gz HGWWSCSGSLFDBP-PMACEKPBSA-N 0 0 430.570 3.439 40 0 biogenic,in-vitro IGABRN COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)c4ccccc4)cc3)[C@H]2CO)cc1 ZINC000072321322 291358729 /nfs/dbraw/zinc/35/87/29/291358729.db2.gz KTTHBEFPNCJBOB-ILBGXUMGSA-N 0 0 446.503 3.409 40 0 biogenic,in-vitro IGABRN COc1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)c3ccco3)c2=O)cc1 ZINC000004259053 291358880 /nfs/dbraw/zinc/35/88/80/291358880.db2.gz NTEPYSVMTWJCIE-JKSUJKDBSA-N 0 0 448.479 3.353 40 0 biogenic,in-vitro IGABRN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@H]1O ZINC000072321826 291360580 /nfs/dbraw/zinc/36/05/80/291360580.db2.gz MVWCMZQHOBYDSA-PBGAUENZSA-N 0 0 447.413 3.072 40 0 biogenic,in-vitro IGABRN O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 ZINC000005434029 291361639 /nfs/dbraw/zinc/36/16/39/291361639.db2.gz RKLADSVWRMVXJK-QFHJOOASSA-N 0 0 430.530 3.211 40 0 biogenic,in-vitro IGABRN O=C(Nc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccnc2)C1 ZINC000004259020 291362600 /nfs/dbraw/zinc/36/26/00/291362600.db2.gz KYUUOUGSAHWKLN-FUHWJXTLSA-N 0 0 429.480 3.147 40 0 biogenic,in-vitro IGABRN O=C(C1CC1)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]2C1 ZINC000004235865 291363258 /nfs/dbraw/zinc/36/32/58/291363258.db2.gz ZFFTXUNASAKYNR-LJQANCHMSA-N 0 0 443.425 3.388 40 0 biogenic,in-vitro IGABRN CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)CC1 ZINC000408609460 193976906 /nfs/dbraw/zinc/97/69/06/193976906.db2.gz TUDQTGJNQQEJBU-UHFFFAOYSA-N 0 0 436.961 3.456 40 0 IGABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCOC)c2)cc1 ZINC000408610806 193978375 /nfs/dbraw/zinc/97/83/75/193978375.db2.gz VZEBNTFARYCGJS-UHFFFAOYSA-N 0 0 448.541 3.129 40 0 IGABRN COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCCc2ccccc21 ZINC000006194963 132276676 /nfs/dbraw/zinc/27/66/76/132276676.db2.gz WTPRNPGJGAGZAD-HSZRJFAPSA-N 0 0 444.539 3.320 40 0 IGABRN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCCc2ccccc21 ZINC000006281857 132276920 /nfs/dbraw/zinc/27/69/20/132276920.db2.gz KZXXZBWXQYDUCL-JOCHJYFZSA-N 0 0 430.512 3.012 40 0 IGABRN Fc1cccc(-c2nc(N3CCOCC3)ncc2-c2nnnn2-c2ccc(Cl)cc2)c1 ZINC000008702074 132290710 /nfs/dbraw/zinc/29/07/10/132290710.db2.gz GWFMRNOBESECAZ-UHFFFAOYSA-N 0 0 437.866 3.415 40 0 IGABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000011566393 132338128 /nfs/dbraw/zinc/33/81/28/132338128.db2.gz CFTACPWGWVGQSK-UHFFFAOYSA-N 0 0 428.341 3.463 40 0 IGABRN Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccn1)C[C@H]1CCCO1)C(=O)[C@H](C(C)C)O2 ZINC000013083039 132344096 /nfs/dbraw/zinc/34/40/96/132344096.db2.gz KJMOJBMBBRVUOH-YKSBVNFPSA-N 0 0 437.540 3.348 40 0 IGABRN COCCn1nnnc1[C@H](c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013504296 132347903 /nfs/dbraw/zinc/34/79/03/132347903.db2.gz YWGUUMBYCHSOGT-FQEVSTJZSA-N 0 0 430.915 3.024 40 0 IGABRN Fc1ccc(N2CCN([C@H](c3nnnn3C[C@@H]3CCCO3)c3ccccc3F)CC2)cc1 ZINC000013504518 132348136 /nfs/dbraw/zinc/34/81/36/132348136.db2.gz PMBJYJUCRUOUTB-UGKGYDQZSA-N 0 0 440.498 3.042 40 0 IGABRN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O ZINC000013679098 132353204 /nfs/dbraw/zinc/35/32/04/132353204.db2.gz AZFFNXKIEKVVMB-KRWDZBQOSA-N 0 0 435.977 3.152 40 0 IGABRN CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1ccccc1C(F)(F)F ZINC000012488030 518728466 /nfs/dbraw/zinc/72/84/66/518728466.db2.gz YHGQXDFVCMSZJS-UHFFFAOYSA-N 0 0 441.475 3.445 40 0 IGABRN CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)[C@@H]1CSC(=O)C1 ZINC000035314012 518746354 /nfs/dbraw/zinc/74/63/54/518746354.db2.gz LXOCVEUXYPUROC-FXAWDEMLSA-N 0 0 425.554 3.346 40 0 IGABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1 ZINC000223178639 519164890 /nfs/dbraw/zinc/16/48/90/519164890.db2.gz ZGHKRVJYMSVANA-NHCUHLMSSA-N 0 0 427.618 3.333 40 0 IGABRN CC(=O)Nc1cccc(NC(=O)Cn2nc(-c3ccco3)c(-c3cc(C)no3)cc2=O)c1 ZINC000012253043 519742724 /nfs/dbraw/zinc/74/27/24/519742724.db2.gz OBOZEWOSZSZRNE-UHFFFAOYSA-N 0 0 433.424 3.064 40 0 IGABRN CCCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000022525949 520189165 /nfs/dbraw/zinc/18/91/65/520189165.db2.gz LYZXYGURFZXECT-UHFFFAOYSA-N 0 0 431.396 3.297 40 0 IGABRN CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000021130692 520336879 /nfs/dbraw/zinc/33/68/79/520336879.db2.gz GBPMUIKEDZBMGY-UHFFFAOYSA-N 0 0 445.766 3.430 40 0 IGABRN CCOc1cc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccc(C)cc2)ccc1O ZINC000035092963 520786310 /nfs/dbraw/zinc/78/63/10/520786310.db2.gz WRJJAINARFDXTG-HLIPFELVSA-N 0 0 438.402 3.203 40 0 IGABRN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000035311622 520808327 /nfs/dbraw/zinc/80/83/27/520808327.db2.gz IGCOAOHWOCTKOC-LJQANCHMSA-N 0 0 436.599 3.285 40 0 IGABRN CCOc1ccc(NC(=O)CN2c3cc(C(=O)NC(C)C)ccc3OC(C)(C)C2=O)cc1 ZINC000012875882 521060975 /nfs/dbraw/zinc/06/09/75/521060975.db2.gz ILPYSHXZAYLITP-UHFFFAOYSA-N 0 0 439.512 3.366 40 0 IGABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 ZINC000020802203 521091223 /nfs/dbraw/zinc/09/12/23/521091223.db2.gz DDAVPWMGBDXTEP-RBUKOAKNSA-N 0 0 427.888 3.451 40 0 IGABRN CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1OCC ZINC000020802356 521093191 /nfs/dbraw/zinc/09/31/91/521093191.db2.gz FKBGRTUCQDGNDX-SFTDATJTSA-N 0 0 437.496 3.197 40 0 IGABRN CCC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3nc(-c4ccc(C)cc4)no3)ccc21 ZINC000225273652 521158581 /nfs/dbraw/zinc/15/85/81/521158581.db2.gz JFEZEAIGKXOAAR-UHFFFAOYSA-N 0 0 440.525 3.165 40 0 IGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl ZINC000022272493 521185664 /nfs/dbraw/zinc/18/56/64/521185664.db2.gz IQUSAGOTSRQWEK-ZDUSSCGKSA-N 0 0 428.913 3.376 40 0 IGABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1Cl ZINC000020802303 521278395 /nfs/dbraw/zinc/27/83/95/521278395.db2.gz VUPNKIWNSIEDGL-RTBURBONSA-N 0 0 427.888 3.451 40 0 IGABRN CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)N3CCOCC3)cc2c1 ZINC000012492725 521283731 /nfs/dbraw/zinc/28/37/31/521283731.db2.gz KYNRLGZTBDDAOD-UHFFFAOYSA-N 0 0 427.526 3.443 40 0 IGABRN CCOc1cccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000022388331 521379884 /nfs/dbraw/zinc/37/98/84/521379884.db2.gz MFXGZENKKDYIAK-UHFFFAOYSA-N 0 0 430.570 3.333 40 0 IGABRN CCNC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@@H]1C ZINC000020467286 521742924 /nfs/dbraw/zinc/74/29/24/521742924.db2.gz KBNYXLDRYGCDAI-GFXCCVESSA-N 0 0 429.605 3.450 40 0 biogenic,in-vitro IGABRN COC(=O)c1c2c(sc1NC(=O)CN1C(=O)N[C@@]3(CCCC[C@@H]3C)C1=O)C[C@@H](C)CC2 ZINC000020895508 521783739 /nfs/dbraw/zinc/78/37/39/521783739.db2.gz UHPYAYHZSRTBBQ-UTWWPYJBSA-N 0 0 447.557 3.099 40 0 IGABRN CC[C@@H](C(=O)NCc1ccc(-n2ccnc2C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000022512089 521846880 /nfs/dbraw/zinc/84/68/80/521846880.db2.gz QPZVLOQMAGCGLO-QFIPXVFZSA-N 0 0 440.569 3.350 40 0 IGABRN COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000013674512 522224297 /nfs/dbraw/zinc/22/42/97/522224297.db2.gz YIASYBBDHIPLQM-UHFFFAOYSA-N 0 0 431.297 3.185 40 0 IGABRN COc1cc(CC(=O)N2CCC[C@@H]2c2nn(C)cc2-c2cc(C)no2)cc(OC)c1OC ZINC000019121474 522315411 /nfs/dbraw/zinc/31/54/11/522315411.db2.gz YWKAMWINOBENNA-QGZVFWFLSA-N 0 0 440.500 3.316 40 0 IGABRN CC[C@H](NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccccc1 ZINC000022513984 522383879 /nfs/dbraw/zinc/38/38/79/522383879.db2.gz ALKBCKKRSMAZRH-INIZCTEOSA-N 0 0 425.348 3.483 40 0 IGABRN CC[C@H](NC(=O)CN(c1ccc(OC)c(Cl)c1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000022338155 522384496 /nfs/dbraw/zinc/38/44/96/522384496.db2.gz QACVMGRKCZAYLO-SFHVURJKSA-N 0 0 440.949 3.391 40 0 IGABRN COc1cc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1OC(C)C ZINC000022331163 522411111 /nfs/dbraw/zinc/41/11/11/522411111.db2.gz RLWUMPLSPPGEFL-UHFFFAOYSA-N 0 0 440.949 3.218 40 0 IGABRN COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(C)=O)ccc1OCc1ccccc1 ZINC000012377571 522963715 /nfs/dbraw/zinc/96/37/15/522963715.db2.gz LVGMWIKGKRCHPM-QWFCFKBJSA-N 0 0 438.402 3.084 40 0 IGABRN COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)C4CCCC4)CC3)n2)cc1OC ZINC000012142688 523130008 /nfs/dbraw/zinc/13/00/08/523130008.db2.gz ATPXHPWXGXMBDA-UHFFFAOYSA-N 0 0 425.529 3.356 40 0 IGABRN CCn1cc(S(=O)(=O)N2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)cn1 ZINC000012325350 523442489 /nfs/dbraw/zinc/44/24/89/523442489.db2.gz YTTSNLOIWNEYIB-UHFFFAOYSA-N 0 0 432.575 3.002 40 0 IGABRN CCn1ccnc1CN1CCC[C@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000072345557 523533940 /nfs/dbraw/zinc/53/39/40/523533940.db2.gz TZRICKCENSUUKY-FQEVSTJZSA-N 0 0 448.571 3.320 40 0 IGABRN COCCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1c(F)cccc1Cl ZINC000012872820 523560842 /nfs/dbraw/zinc/56/08/42/523560842.db2.gz DPAYDXFHLMUTKJ-QGZVFWFLSA-N 0 0 440.928 3.219 40 0 IGABRN COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466288 523908850 /nfs/dbraw/zinc/90/88/50/523908850.db2.gz IMNSLXQBEVZIPN-GFXCCVESSA-N 0 0 430.589 3.007 40 0 biogenic,in-vitro IGABRN COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC ZINC000020492076 523998032 /nfs/dbraw/zinc/99/80/32/523998032.db2.gz XLBLGKQTSJHHPX-QGZVFWFLSA-N 0 0 434.558 3.134 40 0 IGABRN COc1ccc(CNC(=O)[C@H](c2ccccc2F)N(C(=O)c2csnn2)C2CC2)cc1 ZINC000012873121 524064274 /nfs/dbraw/zinc/06/42/74/524064274.db2.gz ZKNVBKMPTDOXCQ-FQEVSTJZSA-N 0 0 440.500 3.348 40 0 IGABRN C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)C1 ZINC000020455196 524188959 /nfs/dbraw/zinc/18/89/59/524188959.db2.gz MIXHTNFSZNDRDM-OAHLLOKOSA-N 0 0 443.407 3.249 40 0 IGABRN COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(F)cc3)N3CCC[C@H]23)C1O ZINC000035877097 524217194 /nfs/dbraw/zinc/21/71/94/524217194.db2.gz HTVROKSUZNDXQZ-NMLACTOBSA-N 0 0 442.874 3.323 40 0 IGABRN COc1ccccc1CN1CCN([C@@H](c2nnnn2C(C)(C)C)c2ccc(F)cc2)CC1 ZINC000035290717 524452458 /nfs/dbraw/zinc/45/24/58/524452458.db2.gz FQVDJEWQAFDLKJ-JOCHJYFZSA-N 0 0 438.551 3.483 40 0 IGABRN COc1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022385589 524463273 /nfs/dbraw/zinc/46/32/73/524463273.db2.gz XTLXCMLXUQWPAD-UHFFFAOYSA-N 0 0 434.514 3.408 40 0 IGABRN Cc1cccc(N(CC(=O)NCCN(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000022280062 524521122 /nfs/dbraw/zinc/52/11/22/524521122.db2.gz LDDHIHJIDLZHOM-UHFFFAOYSA-N 0 0 437.565 3.443 40 0 IGABRN COc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000035311243 524524528 /nfs/dbraw/zinc/52/45/28/524524528.db2.gz KLQFKSOLQWWRJC-GDLZYMKVSA-N 0 0 432.395 3.179 40 0 IGABRN Cc1cc(C)n2nc(CC(=O)N3CCC(C(=O)c4nc5ccccc5s4)CC3)nc2n1 ZINC000012132023 524567585 /nfs/dbraw/zinc/56/75/85/524567585.db2.gz OSTOZLNRWKCYAP-UHFFFAOYSA-N 0 0 434.525 3.015 40 0 IGABRN COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1OC ZINC000020457555 524593050 /nfs/dbraw/zinc/59/30/50/524593050.db2.gz PRUAVQOJRIYCFQ-LJQANCHMSA-N 0 0 446.569 3.317 40 0 IGABRN Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCC3)n2Cc2ccco2)n1 ZINC000012494388 524601992 /nfs/dbraw/zinc/60/19/92/524601992.db2.gz PPAZPGZHSBGBSG-UHFFFAOYSA-N 0 0 444.586 3.333 40 0 IGABRN Cc1ccc(Cn2ccsc2=NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 ZINC000012690746 524774418 /nfs/dbraw/zinc/77/44/18/524774418.db2.gz ONGBBOQGJPHUDK-QNGOZBTKSA-N 0 0 427.477 3.273 40 0 IGABRN COc1ccc(OC)c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@]32Nc3ccccc3C(=O)N2)c1 ZINC000012142523 524831914 /nfs/dbraw/zinc/83/19/14/524831914.db2.gz IURGBMNCHVLUNY-UUWQMMGASA-N 0 0 435.524 3.308 40 0 IGABRN COc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)cc1 ZINC000012255637 524928021 /nfs/dbraw/zinc/92/80/21/524928021.db2.gz RWQCNYIHVHGFQE-HNNXBMFYSA-N 0 0 437.471 3.266 40 0 IGABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1OC ZINC000022539351 525069222 /nfs/dbraw/zinc/06/92/22/525069222.db2.gz PEUKUQQGPBRASZ-SJORKVTESA-N 0 0 434.558 3.173 40 0 IGABRN COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC ZINC000022539347 525073946 /nfs/dbraw/zinc/07/39/46/525073946.db2.gz PEUKUQQGPBRASZ-DLBZAZTESA-N 0 0 434.558 3.173 40 0 IGABRN COc1ccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000020495432 525132337 /nfs/dbraw/zinc/13/23/37/525132337.db2.gz BOEXYSKLRJYVHO-MRXNPFEDSA-N 0 0 434.533 3.254 40 0 IGABRN COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000020493567 525142323 /nfs/dbraw/zinc/14/23/23/525142323.db2.gz IVIKSSSQMUUWOL-MRXNPFEDSA-N 0 0 432.542 3.369 40 0 IGABRN Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)n2nc(-c3cccc(F)c3)cc2n1 ZINC000035315391 525273553 /nfs/dbraw/zinc/27/35/53/525273553.db2.gz IMAVXWUUVFNUDA-UHFFFAOYSA-N 0 0 425.489 3.146 40 0 IGABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000022338743 525553330 /nfs/dbraw/zinc/55/33/30/525553330.db2.gz CDUGEDFKDLFJHD-IBGZPJMESA-N 0 0 446.569 3.497 40 0 IGABRN COc1cccc(CNC(=O)CN2c3cc(C(=O)c4ccco4)ccc3OC(C)(C)C2=O)c1 ZINC000012220919 525970289 /nfs/dbraw/zinc/97/02/89/525970289.db2.gz FCUYKTFKXFZTPE-UHFFFAOYSA-N 0 0 448.475 3.340 40 0 IGABRN Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)on1 ZINC000012127705 526046571 /nfs/dbraw/zinc/04/65/71/526046571.db2.gz WTGNIPPOWJBHGY-UHFFFAOYSA-N 0 0 435.484 3.295 40 0 IGABRN C[C@H](C(=O)NCc1ccccn1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)C3CC3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466675 526087890 /nfs/dbraw/zinc/08/78/90/526087890.db2.gz YZGXSSWDEBOYRE-JCVUJBFDSA-N 0 0 427.589 3.052 40 0 biogenic,in-vitro IGABRN COc1cccc(N2CCN(c3ncnc4c3nnn4Cc3ccccc3Cl)CC2)c1 ZINC000012881046 526156569 /nfs/dbraw/zinc/15/65/69/526156569.db2.gz REBJNNDFBXJPGJ-UHFFFAOYSA-N 0 0 435.919 3.258 40 0 IGABRN Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)CC(C)(C)O2 ZINC000022373371 526201334 /nfs/dbraw/zinc/20/13/34/526201334.db2.gz WSWSUHXXYFOZSO-GOSISDBHSA-N 0 0 438.496 3.458 40 0 IGABRN Cc1occc1-c1nnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1C ZINC000035312307 526797995 /nfs/dbraw/zinc/79/79/95/526797995.db2.gz CBGDICCJXUTWRW-UHFFFAOYSA-N 0 0 431.543 3.154 40 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556535068 /nfs/dbraw/zinc/53/50/68/556535068.db2.gz NLUHGYCDCJDLQG-HNNXBMFYSA-N 0 0 440.562 3.038 40 0 IGABRN O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc2c(c1)OCO2 ZINC000032126557 556535459 /nfs/dbraw/zinc/53/54/59/556535459.db2.gz YOFFHIGRRDORQD-UHFFFAOYSA-N 0 0 445.456 3.343 40 0 IGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000013633232 556540169 /nfs/dbraw/zinc/54/01/69/556540169.db2.gz FDCKDQZFOWRBIA-UHFFFAOYSA-N 0 0 442.921 3.015 40 0 IGABRN COc1ccccc1-c1nc(SCC(=O)Nc2nc(C)c3c(n2)C[C@H](C)CC3=O)n[nH]1 ZINC000013636261 556541240 /nfs/dbraw/zinc/54/12/40/556541240.db2.gz OHTBQLGNIJOHTO-NSHDSACASA-N 0 0 438.513 3.075 40 0 IGABRN COC(=O)c1cccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)c1 ZINC000013646697 556543882 /nfs/dbraw/zinc/54/38/82/556543882.db2.gz DEILBPSRLKEKBL-UHFFFAOYSA-N 0 0 431.297 3.185 40 0 IGABRN COc1ccc(OC)c(N2C(SCc3ccc(F)cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032639923 556544063 /nfs/dbraw/zinc/54/40/63/556544063.db2.gz KOEVEWLDVBSKTM-SJLPKXTDSA-N 0 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HXFWCIQQQKJIDA-AWEZNQCLSA-N 0 0 440.525 3.488 40 0 IGABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(S(=O)(=O)N4CCCC4)C3)cc2N1 ZINC000019083391 556697893 /nfs/dbraw/zinc/69/78/93/556697893.db2.gz CJZWDJDWHVVGJQ-VNQPRFMTSA-N 0 0 449.543 3.347 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1C ZINC000000813966 556698361 /nfs/dbraw/zinc/69/83/61/556698361.db2.gz MLYVWVJNELTAME-UHFFFAOYSA-N 0 0 445.541 3.001 40 0 IGABRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)n1 ZINC000138161916 556700318 /nfs/dbraw/zinc/70/03/18/556700318.db2.gz GUUNXVSXAKDBDM-UHFFFAOYSA-N 0 0 432.524 3.235 40 0 IGABRN COc1ccc(CC(=O)N2CCNC(=O)[C@H]2Cc2ccccc2-c2ccccc2)cc1OC ZINC000257211064 556702283 /nfs/dbraw/zinc/70/22/83/556702283.db2.gz BXJFFLWGZIMVRK-HSZRJFAPSA-N 0 0 444.531 3.483 40 0 IGABRN COc1ccc(CC(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2-c2ccccc2)cc1OC ZINC000257211065 556702354 /nfs/dbraw/zinc/70/23/54/556702354.db2.gz BXJFFLWGZIMVRK-QHCPKHFHSA-N 0 0 444.531 3.483 40 0 IGABRN CNc1cc(C(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2ccccc2OC)ccn1 ZINC000257213264 556702637 /nfs/dbraw/zinc/70/26/37/556702637.db2.gz CGUXUZFRNVWKNF-QFIPXVFZSA-N 0 0 444.535 3.324 40 0 IGABRN COc1ccc2oc(C(=O)N[C@H]3C[C@@H]4CN(S(=O)(=O)c5ccc(C)cc5)C[C@@H]43)cc2c1 ZINC000019211831 556709433 /nfs/dbraw/zinc/70/94/33/556709433.db2.gz UTKVPQLJBOVLBX-UXPWSPDFSA-N 0 0 440.521 3.189 40 0 IGABRN Cc1nn(CC(=O)N2CCC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)c(C)c1C ZINC000019213046 556710781 /nfs/dbraw/zinc/71/07/81/556710781.db2.gz IITMMLGDPARGQQ-IBGZPJMESA-N 0 0 434.544 3.006 40 0 IGABRN O=C(c1cccc2ncccc21)N1CCO[C@]2(C1)CC=CCN(Cc1ccccc1)C2=O ZINC000257250383 556711706 /nfs/dbraw/zinc/71/17/06/556711706.db2.gz JMHZYNCTMVOFNH-SANMLTNESA-N 0 0 427.504 3.435 40 0 IGABRN Cc1ccc2c(cc(C(=O)N3CCN(Cc4cc(-c5cccnc5)nn4C)CC3)n2C)c1 ZINC000019221224 556715414 /nfs/dbraw/zinc/71/54/14/556715414.db2.gz OCLNUAYIHDTDPD-UHFFFAOYSA-N 0 0 428.540 3.240 40 0 IGABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2cccc(F)c2)CC1 ZINC000257298638 556716957 /nfs/dbraw/zinc/71/69/57/556716957.db2.gz RMRHNPOFXRGHBE-VDKIKQQVSA-N 0 0 426.532 3.204 40 0 IGABRN Cc1cccc(CC(=O)N2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)c1 ZINC000019234664 556719014 /nfs/dbraw/zinc/71/90/14/556719014.db2.gz OQZMZKMMRSMCIH-AREMUKBSSA-N 0 0 428.536 3.331 40 0 IGABRN Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)[C@H]4CCCO4)CCO3)cc2)c1 ZINC000019235354 556719694 /nfs/dbraw/zinc/71/96/94/556719694.db2.gz LNEMTHGTTKNIKB-BVAGGSTKSA-N 0 0 436.552 3.069 40 0 IGABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1 ZINC000260453196 556720184 /nfs/dbraw/zinc/72/01/84/556720184.db2.gz GFNUYRGHBSNUEH-QZTJIDSGSA-N 0 0 434.558 3.132 40 0 IGABRN CCOc1ccc(N([C@H](C)C(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000260453346 556720200 /nfs/dbraw/zinc/72/02/00/556720200.db2.gz JZYMDJFGMCTMPV-QZTJIDSGSA-N 0 0 434.558 3.132 40 0 IGABRN Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)CN3CCN(C)CC3)C1)c2-c1ccncc1 ZINC000019236532 556721315 /nfs/dbraw/zinc/72/13/15/556721315.db2.gz UHVUDKGKRRFNRU-OAQYLSRUSA-N 0 0 431.584 3.492 40 0 IGABRN Cc1ccnn1CCC(=O)N1CCC(n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)CC1 ZINC000019238417 556723337 /nfs/dbraw/zinc/72/33/37/556723337.db2.gz IXZICPOFMDRDJS-HNNXBMFYSA-N 0 0 439.585 3.342 40 0 IGABRN Cc1ccnn1CCC(=O)N1CCO[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000019238476 556723388 /nfs/dbraw/zinc/72/33/88/556723388.db2.gz VTGPJQUJWAIJBM-MRXNPFEDSA-N 0 0 435.406 3.251 40 0 IGABRN COc1ccc(Cl)cc1N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1 ZINC000000868436 556724943 /nfs/dbraw/zinc/72/49/43/556724943.db2.gz MTNOJCODBOMNQK-UHFFFAOYSA-N 0 0 445.928 3.255 40 0 IGABRN COc1cccc(OC)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000019285312 556727235 /nfs/dbraw/zinc/72/72/35/556727235.db2.gz WOINCJCSMMDUMG-QGZVFWFLSA-N 0 0 427.888 3.463 40 0 IGABRN Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC000019290056 556729912 /nfs/dbraw/zinc/72/99/12/556729912.db2.gz RYCMJMXPGFEMBI-NRFANRHFSA-N 0 0 438.553 3.182 40 0 IGABRN O=C(CC1CCCCC1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccc(F)cc1 ZINC000019332512 556737470 /nfs/dbraw/zinc/73/74/70/556737470.db2.gz SIYWITGXPNTYMI-OAQYLSRUSA-N 0 0 442.535 3.116 40 0 IGABRN O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CC[C@@H]21 ZINC000019335131 556738285 /nfs/dbraw/zinc/73/82/85/556738285.db2.gz JXFTYDDNIAOQJV-UFYCRDLUSA-N 0 0 434.558 3.302 40 0 IGABRN Nc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)nc2cc(-c3ccco3)nn21 ZINC000019342502 556740364 /nfs/dbraw/zinc/74/03/64/556740364.db2.gz AZTFXOYWXMNSKX-OAHLLOKOSA-N 0 0 431.452 3.320 40 0 IGABRN O=C(c1cccs1)N1CCc2c(=O)[nH]c([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 ZINC000019342859 556741149 /nfs/dbraw/zinc/74/11/49/556741149.db2.gz NYNVCRSZDPGJDA-QAPCUYQASA-N 0 0 438.553 3.050 40 0 IGABRN O=C(c1nsc(Cl)c1Cl)N1CCC([C@H](O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000019345562 556742329 /nfs/dbraw/zinc/74/23/29/556742329.db2.gz PQWZOJQJKWMFPX-INIZCTEOSA-N 0 0 442.324 3.367 40 0 IGABRN O=C(COc1ccccc1F)N1CCNC(=O)[C@@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019348557 556743713 /nfs/dbraw/zinc/74/37/13/556743713.db2.gz RBYWGVPRAPQGPN-FQEVSTJZSA-N 0 0 433.483 3.084 40 0 IGABRN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373173 556749856 /nfs/dbraw/zinc/74/98/56/556749856.db2.gz RNEWRLWEXQWZBI-ICSRJNTNSA-N 0 0 428.496 3.224 40 0 IGABRN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373170 556749861 /nfs/dbraw/zinc/74/98/61/556749861.db2.gz RNEWRLWEXQWZBI-AZUAARDMSA-N 0 0 428.496 3.224 40 0 IGABRN O=C(C[C@@H]1NC(=O)c2ccccc21)NCCn1ncc(-c2cnccn2)c1-c1cccs1 ZINC000019375062 556751366 /nfs/dbraw/zinc/75/13/66/556751366.db2.gz CHQABUKRCNKXFF-SFHVURJKSA-N 0 0 444.520 3.060 40 0 IGABRN O=C(C[C@H]1NC(=O)N(C2CCCCC2)C1=O)N[C@@H](Cc1ccsc1)c1ccccn1 ZINC000019400949 556753604 /nfs/dbraw/zinc/75/36/04/556753604.db2.gz TVGBOPCRZMTJPQ-RBUKOAKNSA-N 0 0 426.542 3.186 40 0 IGABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)NCc4ccc5c(c4)OCO5)n32)c1 ZINC000000928521 556754316 /nfs/dbraw/zinc/75/43/16/556754316.db2.gz CSUUCAGDRGDYTI-UHFFFAOYSA-N 0 0 436.493 3.337 40 0 IGABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000000931486 556756732 /nfs/dbraw/zinc/75/67/32/556756732.db2.gz PURUBFVRZIMZSY-UXHICEINSA-N 0 0 429.586 3.179 40 0 IGABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)[C@H](C)n2ccnc2)C1 ZINC000019448983 556759059 /nfs/dbraw/zinc/75/90/59/556759059.db2.gz FKZHFJAWMPVWHI-RXFWQSSRSA-N 0 0 445.567 3.492 40 0 IGABRN CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2ccn(C)n2)C1 ZINC000019449460 556760234 /nfs/dbraw/zinc/76/02/34/556760234.db2.gz NFBGKQYETNIXAM-RUZDIDTESA-N 0 0 431.540 3.082 40 0 IGABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@]2(C1)OCCc1cnc(C(C)C)nc12 ZINC000019454203 556764562 /nfs/dbraw/zinc/76/45/62/556764562.db2.gz NZTZHKBLMLOWJJ-NRFANRHFSA-N 0 0 435.521 3.000 40 0 IGABRN CC(C)n1cc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(-c3ccncc3)n2)c2ccc(F)cc2)cn1 ZINC000019454964 556765134 /nfs/dbraw/zinc/76/51/34/556765134.db2.gz BQMKOAJPXXLCBB-NRFANRHFSA-N 0 0 446.486 3.462 40 0 IGABRN CC1(C)C[C@H](CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)C(=O)O1 ZINC000019460933 556767353 /nfs/dbraw/zinc/76/73/53/556767353.db2.gz GNZQGFCQTDPWLX-SFTDATJTSA-N 0 0 434.536 3.203 40 0 IGABRN CSCC[C@@H](NC(=O)c1noc2c1C[C@@H](C)CC2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019497147 556769463 /nfs/dbraw/zinc/76/94/63/556769463.db2.gz HXHBMTXWDCEGOA-DZGCQCFKSA-N 0 0 439.541 3.169 40 0 IGABRN CCCN1CCN(C(=O)c2ccnn2C)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502811 556773909 /nfs/dbraw/zinc/77/39/09/556773909.db2.gz CTERVSPEHSTYCW-JOCHJYFZSA-N 0 0 431.540 3.035 40 0 IGABRN COc1ccc(Cn2nnnc2[C@H](c2ccc3ncccc3c2)N2CCSCC2)cc1 ZINC000001329107 556773977 /nfs/dbraw/zinc/77/39/77/556773977.db2.gz AHJRWZCVGWVAMV-QFIPXVFZSA-N 0 0 432.553 3.416 40 0 IGABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3S(=O)(=O)N3CCCC3)cc2N1 ZINC000019520647 556777217 /nfs/dbraw/zinc/77/72/17/556777217.db2.gz OOGHGGZVBHECHT-VNQPRFMTSA-N 0 0 435.516 3.448 40 0 IGABRN CCN1CCN(C(=O)c2nccn2C)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000019527357 556785605 /nfs/dbraw/zinc/78/56/05/556785605.db2.gz DWBAIZNFRXSOGN-FQEVSTJZSA-N 0 0 434.515 3.389 40 0 IGABRN Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccc1F)C[C@@H]1CCCO1)C(=O)[C@@H](C)O2 ZINC000001362255 556788189 /nfs/dbraw/zinc/78/81/89/556788189.db2.gz NDMGIQOKBNCROZ-MJGOQNOKSA-N 0 0 426.488 3.456 40 0 IGABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000019528580 556788391 /nfs/dbraw/zinc/78/83/91/556788391.db2.gz HPMPBSVORFGIJY-RUZDIDTESA-N 0 0 431.540 3.381 40 0 IGABRN CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)c2cnccn2)C1 ZINC000019528720 556789141 /nfs/dbraw/zinc/78/91/41/556789141.db2.gz WUAJKBOWQLYBIS-RUZDIDTESA-N 0 0 429.524 3.140 40 0 IGABRN COc1ccc(C(=O)Nn2c(CC(C)C)nc3cc(OC)c(OC)cc3c2=O)c(OC)c1 ZINC000001365081 556789840 /nfs/dbraw/zinc/78/98/40/556789840.db2.gz OTXPZXDQNIVKAW-UHFFFAOYSA-N 0 0 441.484 3.013 40 0 IGABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2cnccn2)C1 ZINC000019529103 556790576 /nfs/dbraw/zinc/79/05/76/556790576.db2.gz KNCWXABBQOWCPV-VWLOTQADSA-N 0 0 432.499 3.494 40 0 IGABRN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000001368077 556792225 /nfs/dbraw/zinc/79/22/25/556792225.db2.gz RFORCCQDQRVTSY-PDOICOKGSA-N 0 0 428.620 3.495 40 0 IGABRN C[C@@H]1CCc2c(sc3[nH]c(SCC(=O)N4CC(=O)Nc5ccccc54)nc(=O)c23)C1 ZINC000001368173 556792271 /nfs/dbraw/zinc/79/22/71/556792271.db2.gz GISBVLQRARVCSP-LLVKDONJSA-N 0 0 440.550 3.187 40 0 IGABRN CC(C)N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccco1)c1ccc(F)cc1 ZINC000001376296 556793224 /nfs/dbraw/zinc/79/32/24/556793224.db2.gz DWOJVEZBJXRSLP-HSZRJFAPSA-N 0 0 449.486 3.458 40 0 IGABRN CC(C)N(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000001376355 556793475 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568721736 /nfs/dbraw/zinc/72/17/36/568721736.db2.gz WMORCEUGGQQQQF-HXUWFJFHSA-N 0 0 440.924 3.204 40 0 IGABRN CC(C)(NC(=O)COc1ccccc1)C(=O)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000257324609 568722334 /nfs/dbraw/zinc/72/23/34/568722334.db2.gz WPLFYJZQSQGAAL-NRFANRHFSA-N 0 0 445.523 3.176 40 0 IGABRN Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n(C)n2)C1 ZINC000257327160 568723170 /nfs/dbraw/zinc/72/31/70/568723170.db2.gz XAGFVTVRLFPUFU-JOCHJYFZSA-N 0 0 429.952 3.310 40 0 IGABRN Cc1cc(C)nc(Nc2ccc([C@H]3CN(CC(=O)Nc4ccc(F)cc4)CCO3)nc2)n1 ZINC000257328194 568723393 /nfs/dbraw/zinc/72/33/93/568723393.db2.gz XEOLZDSHYNFHFS-OAQYLSRUSA-N 0 0 436.491 3.383 40 0 IGABRN Cc1nc([C@H]2CCN(C(=O)c3cccnc3)C2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000257328608 568723569 /nfs/dbraw/zinc/72/35/69/568723569.db2.gz XGKGRNOMMLINOD-IBGZPJMESA-N 0 0 445.498 3.428 40 0 IGABRN Cc1cnc2c(C(=O)N3CCNC(=O)[C@H]3Cc3cccc(-c4cccc(F)c4)c3)cnn2c1 ZINC000257329645 568724205 /nfs/dbraw/zinc/72/42/05/568724205.db2.gz 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IGABRN CC(C)n1cc2c(n1)C1(CCN(C(=O)N(C)C)CC1)CN(C(=O)CCc1ccccc1)C2 ZINC000306133820 568768289 /nfs/dbraw/zinc/76/82/89/568768289.db2.gz MXDFVKNUWUEJEV-UHFFFAOYSA-N 0 0 437.588 3.454 40 0 IGABRN Cc1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@]3(C2)CCCN(Cc2ccccc2)C3=O)o1 ZINC000306135738 568769252 /nfs/dbraw/zinc/76/92/52/568769252.db2.gz OZJQGWCPEALTRJ-NBGIEHNGSA-N 0 0 432.524 3.370 40 0 IGABRN COc1ccc(-c2ccc3c([C@@H]4CN(Cc5cccnc5OC)CCO4)nnn3c2)cc1 ZINC000306141193 568772022 /nfs/dbraw/zinc/77/20/22/568772022.db2.gz VOBFBJJAFYSJLR-QFIPXVFZSA-N 0 0 431.496 3.382 40 0 IGABRN COc1ncccc1-c1ccc2c(c1)[C@H]1CN(C(=O)Cc3ccccc3C)C[C@@H]1S2(=O)=O ZINC000306141536 568772140 /nfs/dbraw/zinc/77/21/40/568772140.db2.gz VZIYEUYCVGRGBR-GGAORHGYSA-N 0 0 448.544 3.390 40 0 IGABRN CCc1ccc(NC(=O)N2CC[C@]3(C2)COCC[C@H]3NS(=O)(=O)c2ccccc2)cc1 ZINC000306143559 568773135 /nfs/dbraw/zinc/77/31/35/568773135.db2.gz YFNLPNSFJUFYMD-GGAORHGYSA-N 0 0 443.569 3.240 40 0 IGABRN COc1ccc(-c2cccc3nc([C@@H]4CN(C(=O)c5cccn5C)CCN4C)cn32)cc1 ZINC000306144885 568773846 /nfs/dbraw/zinc/77/38/46/568773846.db2.gz ZRKLDWZZKHSSRJ-QHCPKHFHSA-N 0 0 429.524 3.477 40 0 IGABRN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000001473402 568788466 /nfs/dbraw/zinc/78/84/66/568788466.db2.gz CUECETIKZWRUNQ-KRWDZBQOSA-N 0 0 439.339 3.280 40 0 IGABRN Cc1nn(CCCNC(=O)c2cc3ncc(Br)cn3n2)c(Cl)c1Cl ZINC000002809002 568789547 /nfs/dbraw/zinc/78/95/47/568789547.db2.gz XVGQZNVTYDDHFR-UHFFFAOYSA-N 0 0 432.109 3.124 40 0 IGABRN OCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(C(F)(F)F)n1 ZINC000329022671 568809529 /nfs/dbraw/zinc/80/95/29/568809529.db2.gz OPBSVGXMPQSTAU-UHFFFAOYSA-N 0 0 445.161 3.268 40 0 IGABRN COc1ccccc1N1C(=S)N=NC1c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013534656 568828275 /nfs/dbraw/zinc/82/82/75/568828275.db2.gz UKMUXQXOFNZLMC-UHFFFAOYSA-N 0 0 430.555 3.406 40 0 IGABRN COCCCN1C(=O)[C@H]2[C@H](C(=O)c3ccc(C)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@H]2C1=O ZINC000101475591 568844101 /nfs/dbraw/zinc/84/41/01/568844101.db2.gz PWKJWSNJXRSQCX-MOUTVQLLSA-N 0 0 444.531 3.490 40 0 IGABRN COCCCN1C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@H]2C1=O ZINC000101482941 568844235 /nfs/dbraw/zinc/84/42/35/568844235.db2.gz ZHFGCXNCOKZGMK-GSPCLOLRSA-N 0 0 430.504 3.181 40 0 IGABRN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000032979747 568866329 /nfs/dbraw/zinc/86/63/29/568866329.db2.gz CVTOBVLYNAWAKY-UHFFFAOYSA-N 0 0 447.607 3.251 40 0 IGABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013029420 568905031 /nfs/dbraw/zinc/90/50/31/568905031.db2.gz XLJVRLQIHRUZKQ-DEOSSOPVSA-N 0 0 449.555 3.015 40 0 IGABRN CCOC(=O)[C@@H](CC)[C@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001682194 569081567 /nfs/dbraw/zinc/08/15/67/569081567.db2.gz AZRBKXQAGRLIPZ-MWTRTKDXSA-N 0 0 432.469 3.266 40 0 IGABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000231643296 569186146 /nfs/dbraw/zinc/18/61/46/569186146.db2.gz FFKNXVBTRJYGAF-DBYOASNMSA-N 0 0 438.549 3.110 40 0 IGABRN 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COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(C(C)(C)C)cc2)C1C(=O)c1cccc(OC)c1 ZINC000010232304 569221981 /nfs/dbraw/zinc/22/19/81/569221981.db2.gz JKPBVZMSKDWVAK-FQEVSTJZSA-N 0 0 447.495 3.304 40 0 IGABRN COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000010370554 569224056 /nfs/dbraw/zinc/22/40/56/569224056.db2.gz OKCVGCRJHIGRQN-AWEZNQCLSA-N 0 0 440.949 3.170 40 0 IGABRN COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 ZINC000016048255 569225662 /nfs/dbraw/zinc/22/56/62/569225662.db2.gz MCLSEWFQTSTYPM-UHFFFAOYSA-N 0 0 429.454 3.271 40 0 IGABRN COc1ccccc1CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000015739454 569225679 /nfs/dbraw/zinc/22/56/79/569225679.db2.gz SZAKAGJQZYHRQM-UHFFFAOYSA-N 0 0 432.542 3.199 40 0 IGABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCCCC1 ZINC000016020186 569225686 /nfs/dbraw/zinc/22/56/86/569225686.db2.gz UDIINWGDYDOWLX-UHFFFAOYSA-N 0 0 446.525 3.283 40 0 IGABRN CC(C)Oc1cccc(CN2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 ZINC000019692730 569228270 /nfs/dbraw/zinc/22/82/70/569228270.db2.gz CUIXHZRSEIWKJI-JOCHJYFZSA-N 0 0 434.544 3.360 40 0 IGABRN Cc1c2ccccc2oc1C(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692791 569228352 /nfs/dbraw/zinc/22/83/52/569228352.db2.gz ZSBLXFXCVRVTII-HXUWFJFHSA-N 0 0 444.495 3.268 40 0 IGABRN Cc1ccccc1OCCC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cnn(C)c2)C1 ZINC000019693200 569228739 /nfs/dbraw/zinc/22/87/39/569228739.db2.gz XAMIDDFPPHDTMA-GOSISDBHSA-N 0 0 434.544 3.037 40 0 IGABRN COc1cccc(-c2nccnc2[C@@H]2CN(C(=O)c3cn4ccc(C)cc4n3)CCO2)c1 ZINC000019693452 569228815 /nfs/dbraw/zinc/22/88/15/569228815.db2.gz YYITYZMDUJTZNM-FQEVSTJZSA-N 0 0 429.480 3.322 40 0 IGABRN CCn1cc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)c(C)n1 ZINC000019693432 569228828 /nfs/dbraw/zinc/22/88/28/569228828.db2.gz FFTCXAJYYGYCDY-QGZVFWFLSA-N 0 0 447.948 3.084 40 0 IGABRN COc1ccc(OC(C)(C)C(=O)N2CCO[C@@H](c3ccc(-c4cncnc4)cn3)C2)cc1 ZINC000019693666 569229175 /nfs/dbraw/zinc/22/91/75/569229175.db2.gz ZGBYYPTZBUETSA-JOCHJYFZSA-N 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YKGVBPVZHNTMRE-CYBMUJFWSA-N 0 0 439.903 3.020 40 0 IGABRN COc1cc(OC)cc(C(=O)NCCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 ZINC000022226858 522850481 /nfs/dbraw/zinc/85/04/81/522850481.db2.gz CTJXYOVXFYBEBC-UHFFFAOYSA-N 0 0 446.569 3.287 40 0 IGABRN COCCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCC(C)CC3)[C@H](O)[C@H]2[C@@H]1C ZINC000020467116 522957870 /nfs/dbraw/zinc/95/78/70/522957870.db2.gz GLJZMKIFYHSPQJ-CLIZRSMDSA-N 0 0 436.637 3.226 40 0 biogenic,in-vitro IGABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(S(=O)(=O)NC(C)C)ccc1OC ZINC000022512005 523052613 /nfs/dbraw/zinc/05/26/13/523052613.db2.gz OOQUEQYPGOVCRQ-LJQANCHMSA-N 0 0 436.530 3.187 40 0 IGABRN CCn1c2cc3c(cc2s/c1=N\C(=O)c1cccc(S(=O)(=O)C(C)C)c1)OCCO3 ZINC000018228765 523259164 /nfs/dbraw/zinc/25/91/64/523259164.db2.gz KKBLOKDHDPZHOP-DQRAZIAOSA-N 0 0 446.550 3.417 40 0 IGABRN COc1ccc(CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000022365568 523934548 /nfs/dbraw/zinc/93/45/48/523934548.db2.gz WSIKWBICKKNPDA-UHFFFAOYSA-N 0 0 428.913 3.003 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524811940 /nfs/dbraw/zinc/81/19/40/524811940.db2.gz HGBHODBSECZLBO-QGZVFWFLSA-N 0 0 434.496 3.210 40 0 IGABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(Cl)c4C)N2CCC[C@@H]32)cc1 ZINC000020477376 524926219 /nfs/dbraw/zinc/92/62/19/524926219.db2.gz UFBGEQXFROUTKF-GSRZOBFVSA-N 0 0 435.911 3.388 40 0 IGABRN CS(=O)(=O)N(CC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1Br ZINC000020457563 525152923 /nfs/dbraw/zinc/15/29/23/525152923.db2.gz UJHJKIDITXKXTE-QGZVFWFLSA-N 0 0 437.359 3.409 40 0 IGABRN COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cc(-c5ccc6c(c5)OCO6)on4)C[C@@H]32)cc1 ZINC000012185679 525285204 /nfs/dbraw/zinc/28/52/04/525285204.db2.gz XJBSOFCUSUJEAS-GSQWSPMESA-N 0 0 448.475 3.449 40 0 IGABRN Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000022334612 525310940 /nfs/dbraw/zinc/31/09/40/525310940.db2.gz HXGBVSDZIJMPAR-HNNXBMFYSA-N 0 0 444.475 3.364 40 0 IGABRN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC[C@@H](C)C3)cc2c1 ZINC000012469539 525478087 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Cc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccc(F)cc3)cc2c1 ZINC000000923786 555584978 /nfs/dbraw/zinc/58/49/78/555584978.db2.gz JKNMODSOWPNGGO-LJQANCHMSA-N 0 0 430.501 3.346 40 0 IGABRN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1 ZINC000001380239 555693329 /nfs/dbraw/zinc/69/33/29/555693329.db2.gz WOFRESXDLNGRTK-SFHVURJKSA-N 0 0 430.526 3.211 40 0 IGABRN COc1c2c(c(Cc3c4c(c(OC)c5c3OCO5)O[C@@H](C)C4)c3c1OCO3)C[C@H](C)O2 ZINC000001582140 555704268 /nfs/dbraw/zinc/70/42/68/555704268.db2.gz XLFQJXXLPKCPRY-QWRGUYRKSA-N 0 0 428.437 3.399 40 0 IGABRN CC1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000408529640 555723803 /nfs/dbraw/zinc/72/38/03/555723803.db2.gz IUDVZSIZNVROCM-UHFFFAOYSA-N 0 0 428.554 3.465 40 0 IGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1 ZINC000408533120 555745937 /nfs/dbraw/zinc/74/59/37/555745937.db2.gz PVTCMJSUNYLMEJ-UHFFFAOYSA-N 0 0 431.341 3.377 40 0 IGABRN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OCC)c1OC ZINC000035104445 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3.445 40 0 IGABRN O=C(CNC(=O)C(=O)Nc1ccc(Br)cc1)Nc1ccccc1C(F)(F)F ZINC000408556008 555893387 /nfs/dbraw/zinc/89/33/87/555893387.db2.gz YRUQYMJVFIFPQD-UHFFFAOYSA-N 0 0 444.207 3.161 40 0 IGABRN CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 ZINC000408560246 555900117 /nfs/dbraw/zinc/90/01/17/555900117.db2.gz YAHLJVKCBPANPG-UHFFFAOYSA-N 0 0 426.922 3.445 40 0 IGABRN COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1Cl ZINC000408560370 555900832 /nfs/dbraw/zinc/90/08/32/555900832.db2.gz OTSTZPBSCRKVHA-SNVBAGLBSA-N 0 0 433.313 3.316 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003249457 555908486 /nfs/dbraw/zinc/90/84/86/555908486.db2.gz FWQLTLQHGDVBCD-UHFFFAOYSA-N 0 0 444.431 3.167 40 0 IGABRN Cc1ccccc1OCCNC(=O)Cn1cc(C(=O)C(=O)N2CCCCC2)c2ccccc21 ZINC000408571998 555915584 /nfs/dbraw/zinc/91/55/84/555915584.db2.gz QHILXCTXUBIFEC-UHFFFAOYSA-N 0 0 447.535 3.340 40 0 IGABRN Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000408583947 555931120 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Cc1cc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)ccc1N1CCCC1=O ZINC000223248719 557451172 /nfs/dbraw/zinc/45/11/72/557451172.db2.gz CLHINKXHJOQUPU-UHFFFAOYSA-N 0 0 449.960 3.176 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000223258008 557451828 /nfs/dbraw/zinc/45/18/28/557451828.db2.gz WBUQPFJOHMLTEO-KRWDZBQOSA-N 0 0 442.581 3.462 40 0 IGABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCc4ccccc43)cc2c1 ZINC000009636290 557455161 /nfs/dbraw/zinc/45/51/61/557455161.db2.gz JIFXPUHVCHABLW-XXBNENTESA-N 0 0 442.523 3.154 40 0 IGABRN C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000223360753 557462522 /nfs/dbraw/zinc/46/25/22/557462522.db2.gz KIDONZWOJQPABS-GFCCVEGCSA-N 0 0 431.341 3.473 40 0 IGABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC ZINC000223423837 557470822 /nfs/dbraw/zinc/47/08/22/557470822.db2.gz ZFYPAURJEOUSKH-GOSISDBHSA-N 0 0 428.529 3.416 40 0 IGABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C ZINC000223432701 557471632 /nfs/dbraw/zinc/47/16/32/557471632.db2.gz UOOKXMVQWLXKRS-IBGZPJMESA-N 0 0 430.570 3.432 40 0 IGABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(Br)cc1 ZINC000223446682 557472773 /nfs/dbraw/zinc/47/27/73/557472773.db2.gz BPDSVQOUBUUVJR-IBGZPJMESA-N 0 0 449.345 3.390 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000016960054 557476206 /nfs/dbraw/zinc/47/62/06/557476206.db2.gz STTHDOXYSKYSOL-UHFFFAOYSA-N 0 0 430.526 3.219 40 0 IGABRN C[C@@H]1CCc2c(sc(N3C(=O)[C@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)c2C(=O)NC2CCCC2)C1 ZINC000017096044 557487757 /nfs/dbraw/zinc/48/77/57/557487757.db2.gz NKQHFTPUTSIYOP-LZBLQAAMSA-N 0 0 428.554 3.212 40 0 IGABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccs4)cc3)nn12 ZINC000017096095 557487937 /nfs/dbraw/zinc/48/79/37/557487937.db2.gz TVYQIUWVWHWWBZ-UHFFFAOYSA-N 0 0 428.568 3.281 40 0 IGABRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223637636 557494929 /nfs/dbraw/zinc/49/49/29/557494929.db2.gz TXZJFOUBVMBVNF-NHCUHLMSSA-N 0 0 437.521 3.483 40 0 IGABRN Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)cc2c1 ZINC000019220975 557497976 /nfs/dbraw/zinc/49/79/76/557497976.db2.gz YAUUWUOLCPYPFJ-UHFFFAOYSA-N 0 0 440.588 3.403 40 0 IGABRN Cc1cccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3ccccc3)CC2)c1C ZINC000019235617 557498413 /nfs/dbraw/zinc/49/84/13/557498413.db2.gz YSWDVDXLKARVHE-VWNXMTODSA-N 0 0 432.572 3.381 40 0 IGABRN CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000019499680 557499716 /nfs/dbraw/zinc/49/97/16/557499716.db2.gz DWSAJBNZCNALKM-IBGZPJMESA-N 0 0 426.496 3.098 40 0 IGABRN COc1ccc(C)cc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O ZINC000223674251 557500547 /nfs/dbraw/zinc/50/05/47/557500547.db2.gz XSJHCHGFLYKQQH-UHFFFAOYSA-N 0 0 439.537 3.394 40 0 IGABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C ZINC000223679557 557501027 /nfs/dbraw/zinc/50/10/27/557501027.db2.gz LYDQESDJTCZPTQ-XZOQPEGZSA-N 0 0 449.580 3.479 40 0 IGABRN COc1ccc(C)cc1N(CC(=O)NCCOc1ccccc1C(C)(C)C)S(C)(=O)=O ZINC000223679796 557501315 /nfs/dbraw/zinc/50/13/15/557501315.db2.gz PEUZFYBLNBCWMY-UHFFFAOYSA-N 0 0 448.585 3.262 40 0 IGABRN COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C ZINC000223679719 557501354 /nfs/dbraw/zinc/50/13/54/557501354.db2.gz YNJJVFMGYOGGLM-PKTZIBPZSA-N 0 0 449.580 3.479 40 0 IGABRN COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C ZINC000223679746 557501357 /nfs/dbraw/zinc/50/13/57/557501357.db2.gz YNJJVFMGYOGGLM-XZOQPEGZSA-N 0 0 449.580 3.479 40 0 IGABRN COc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000223684896 557501839 /nfs/dbraw/zinc/50/18/39/557501839.db2.gz KQFVQKOAWGJGQO-UHFFFAOYSA-N 0 0 431.341 3.127 40 0 IGABRN C[C@@H](C(=O)NCCOc1ccccc1C(C)(C)C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223692948 557502913 /nfs/dbraw/zinc/50/29/13/557502913.db2.gz VYFFPBXCMFLXIX-INIZCTEOSA-N 0 0 436.549 3.473 40 0 IGABRN CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000223698738 557503698 /nfs/dbraw/zinc/50/36/98/557503698.db2.gz CBPWZSHXESDFSM-UHFFFAOYSA-N 0 0 432.929 3.454 40 0 IGABRN NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc32)c(Br)c1 ZINC000019594442 557506371 /nfs/dbraw/zinc/50/63/71/557506371.db2.gz LDYGGTKSMQWWON-UHFFFAOYSA-N 0 0 441.328 3.051 40 0 IGABRN O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1cccc(I)c1 ZINC000019631077 557506831 /nfs/dbraw/zinc/50/68/31/557506831.db2.gz WUQNZXRXTNMXMA-UHFFFAOYSA-N 0 0 440.262 3.189 40 0 IGABRN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 ZINC000223755821 557509379 /nfs/dbraw/zinc/50/93/79/557509379.db2.gz BXBVJIXBUCWWAL-UHFFFAOYSA-N 0 0 436.486 3.436 40 0 IGABRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1N1CCCC1=O ZINC000223789672 557513676 /nfs/dbraw/zinc/51/36/76/557513676.db2.gz DZCRKWDBPDZBBF-UHFFFAOYSA-N 0 0 427.526 3.358 40 0 IGABRN CSc1cccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000223800166 557515030 /nfs/dbraw/zinc/51/50/30/557515030.db2.gz FWGJPHCNTAAVGT-UHFFFAOYSA-N 0 0 436.599 3.493 40 0 IGABRN CC(C)(C)[C@@H]1CCc2c(sc3nc(CN4CCN(C(=O)C5CC5)CC4)[nH]c(=O)c32)C1 ZINC000020143512 557515914 /nfs/dbraw/zinc/51/59/14/557515914.db2.gz SAYIQIZBYSPMFA-OAHLLOKOSA-N 0 0 428.602 3.190 40 0 IGABRN COC(=O)[C@]1(CCSC)N[C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150625 557516178 /nfs/dbraw/zinc/51/61/78/557516178.db2.gz FFKNXVBTRJYGAF-UECWXEIQSA-N 0 0 438.549 3.110 40 0 IGABRN COC(=O)[C@@]1(CCSC)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000020150582 557516224 /nfs/dbraw/zinc/51/62/24/557516224.db2.gz XRDFBFRVSINNEM-IAGYGMIVSA-N 0 0 448.541 3.002 40 0 IGABRN CCCC[C@]1(C(=O)OC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150655 557516285 /nfs/dbraw/zinc/51/62/85/557516285.db2.gz OXZUZPBRMZLICA-SMTRIPRVSA-N 0 0 436.508 3.253 40 0 IGABRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)CC[C@H]1NC(=O)N(Cc3ccc4c(c3)OCO4)C1=O)C2 ZINC000036594962 557516882 /nfs/dbraw/zinc/51/68/82/557516882.db2.gz BJSBOAZMGFZUOU-HOZJOUCCSA-N 0 0 441.528 3.248 40 0 IGABRN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000223866376 557522509 /nfs/dbraw/zinc/52/25/09/557522509.db2.gz XCYALGVLGOVLHC-GOSISDBHSA-N 0 0 448.610 3.013 40 0 IGABRN COCc1cccc(NC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000223869552 557523335 /nfs/dbraw/zinc/52/33/35/557523335.db2.gz YRDJYBLOPPRWKN-UHFFFAOYSA-N 0 0 441.347 3.309 40 0 IGABRN CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1 ZINC000223872561 557523761 /nfs/dbraw/zinc/52/37/61/557523761.db2.gz KKWLUUUMMBOSDV-UHFFFAOYSA-N 0 0 435.304 3.094 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c(C)c1 ZINC000223917857 557528804 /nfs/dbraw/zinc/52/88/04/557528804.db2.gz UGBGPGBSLOOMBX-UHFFFAOYSA-N 0 0 438.933 3.225 40 0 IGABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3cccc(C)c3C)CC2)cc1 ZINC000223941676 557531955 /nfs/dbraw/zinc/53/19/55/557531955.db2.gz XDQGSFCDMHHSPU-UHFFFAOYSA-N 0 0 444.597 3.349 40 0 IGABRN COc1ccccc1[C@H](C)NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000223953954 557533891 /nfs/dbraw/zinc/53/38/91/557533891.db2.gz IIPXBIBGUWIHGA-ZDUSSCGKSA-N 0 0 430.448 3.357 40 0 IGABRN C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000224006989 557543132 /nfs/dbraw/zinc/54/31/32/557543132.db2.gz BOZMJJFURSUOLA-MRXNPFEDSA-N 0 0 436.549 3.473 40 0 IGABRN Cc1ccc(C)c(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000224020890 557545846 /nfs/dbraw/zinc/54/58/46/557545846.db2.gz STHCBHYJLQIHBX-UHFFFAOYSA-N 0 0 430.570 3.040 40 0 IGABRN CCCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)s1 ZINC000224032540 557548141 /nfs/dbraw/zinc/54/81/41/557548141.db2.gz OKFIHGPKMIKTOI-UHFFFAOYSA-N 0 0 426.589 3.385 40 0 IGABRN CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000224035740 557549121 /nfs/dbraw/zinc/54/91/21/557549121.db2.gz ACGDRLKBSWFHTI-FQEVSTJZSA-N 0 0 434.558 3.052 40 0 IGABRN COc1ccc(N(CCCC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000224037831 557549593 /nfs/dbraw/zinc/54/95/93/557549593.db2.gz SALWQWFHPYTORR-UHFFFAOYSA-N 0 0 434.558 3.053 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(C)Cc1ccc(C)cc1 ZINC000224047725 557551370 /nfs/dbraw/zinc/55/13/70/557551370.db2.gz CSHAEPNFJVOPIF-UHFFFAOYSA-N 0 0 430.570 3.379 40 0 IGABRN Cc1ccc(C)c(OCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 ZINC000224051490 557551855 /nfs/dbraw/zinc/55/18/55/557551855.db2.gz YUJPNVCPGYVGSA-UHFFFAOYSA-N 0 0 434.533 3.038 40 0 IGABRN COc1cccc(OC)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000224081040 557557718 /nfs/dbraw/zinc/55/77/18/557557718.db2.gz YBNUYIRCLDMPCD-UHFFFAOYSA-N 0 0 426.494 3.435 40 0 IGABRN CCOc1ccccc1N(CCCC(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224103862 557561483 /nfs/dbraw/zinc/56/14/83/557561483.db2.gz DTZROQZETBHSFQ-UHFFFAOYSA-N 0 0 448.585 3.444 40 0 IGABRN CCOc1ccc(N(CCCC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000224103958 557561726 /nfs/dbraw/zinc/56/17/26/557561726.db2.gz YYLNTSDHMXMKIG-UHFFFAOYSA-N 0 0 448.585 3.444 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3cc(C)cc(C)c3)CC2)cc1 ZINC000224113197 557562986 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433.346 3.424 40 0 IGABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccco3)cc2)cc1OC ZINC000224085918 557558572 /nfs/dbraw/zinc/55/85/72/557558572.db2.gz MZVURUROABWCON-UHFFFAOYSA-N 0 0 430.482 3.370 40 0 IGABRN COc1cccc(N(CCCC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000224103694 557561499 /nfs/dbraw/zinc/56/14/99/557561499.db2.gz XJNAUXBWKJYDMR-UHFFFAOYSA-N 0 0 434.558 3.053 40 0 IGABRN CCCSc1nnc(NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)s1 ZINC000224145190 557566241 /nfs/dbraw/zinc/56/62/41/557566241.db2.gz DSYGUGMAMDQUBI-UHFFFAOYSA-N 0 0 432.618 3.167 40 0 IGABRN CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000224177152 557571076 /nfs/dbraw/zinc/57/10/76/557571076.db2.gz DJVTVZXPYHWQEU-UHFFFAOYSA-N 0 0 427.457 3.002 40 0 IGABRN COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1COc1ccccc1OC ZINC000224244008 557580281 /nfs/dbraw/zinc/58/02/81/557580281.db2.gz FXLYRFKHAXHIIN-UHFFFAOYSA-N 0 0 442.493 3.183 40 0 IGABRN CN(C)S(=O)(=O)c1ccc(OCCNC(=O)CCc2c(Cl)cccc2Cl)cc1 ZINC000224270965 557583619 /nfs/dbraw/zinc/58/36/19/557583619.db2.gz MNHAYALIXBHZOQ-UHFFFAOYSA-N 0 0 445.368 3.372 40 0 IGABRN CC[C@H](C(=O)NCCOc1cccc(OC)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224307407 557588389 /nfs/dbraw/zinc/58/83/89/557588389.db2.gz OSQYBVHOZNFKOZ-LJQANCHMSA-N 0 0 440.949 3.088 40 0 IGABRN COc1cccc2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)oc21 ZINC000224306594 557588418 /nfs/dbraw/zinc/58/84/18/557588418.db2.gz QBKHUKNUZTVJEB-UHFFFAOYSA-N 0 0 444.509 3.035 40 0 IGABRN Cc1ccc(C(=O)NCCCn2ccnc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224319741 557590819 /nfs/dbraw/zinc/59/08/19/557590819.db2.gz XUOAOHUEOWXJAV-UHFFFAOYSA-N 0 0 446.960 3.490 40 0 IGABRN COc1ccc([C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 ZINC000224337250 557593479 /nfs/dbraw/zinc/59/34/79/557593479.db2.gz RCGGEDZURWANRF-ZDUSSCGKSA-N 0 0 432.527 3.147 40 0 IGABRN Cc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1N1CCCC1=O ZINC000224391997 557600927 /nfs/dbraw/zinc/60/09/27/557600927.db2.gz SKHHAWFSNVZWCJ-UHFFFAOYSA-N 0 0 427.526 3.304 40 0 IGABRN CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224417249 557604089 /nfs/dbraw/zinc/60/40/89/557604089.db2.gz PIUCFBKYHDVGSG-JOCHJYFZSA-N 0 0 446.569 3.214 40 0 IGABRN COc1cccc(OC)c1CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000224491061 557612198 /nfs/dbraw/zinc/61/21/98/557612198.db2.gz KFPMMNBBYTWNIQ-UHFFFAOYSA-N 0 0 440.521 3.459 40 0 IGABRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCc3cccc(OC)c3)c2)cc1 ZINC000224503751 557613683 /nfs/dbraw/zinc/61/36/83/557613683.db2.gz VHCUSAJCWJJJIE-UHFFFAOYSA-N 0 0 440.521 3.459 40 0 IGABRN CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000224590409 557627985 /nfs/dbraw/zinc/62/79/85/557627985.db2.gz KHKJXPZORIXOAO-FQEVSTJZSA-N 0 0 426.513 3.300 40 0 IGABRN COc1ccc(OCCNC(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000224656471 557636845 /nfs/dbraw/zinc/63/68/45/557636845.db2.gz JYVSQAMWOOYIMJ-UHFFFAOYSA-N 0 0 434.558 3.053 40 0 IGABRN COc1ccc(OC)c(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000224718689 557643601 /nfs/dbraw/zinc/64/36/01/557643601.db2.gz BXMKFJVIZLSKCP-QGZVFWFLSA-N 0 0 434.558 3.170 40 0 IGABRN CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000224720345 557643839 /nfs/dbraw/zinc/64/38/39/557643839.db2.gz RWUGALPHEVERHM-UHFFFAOYSA-N 0 0 425.890 3.193 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000224739397 557646187 /nfs/dbraw/zinc/64/61/87/557646187.db2.gz FMSGGTKAJVAEOO-LJQANCHMSA-N 0 0 442.581 3.174 40 0 IGABRN CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224805288 557653354 /nfs/dbraw/zinc/65/33/54/557653354.db2.gz UYGFHGAJYZDQCJ-UHFFFAOYSA-N 0 0 427.906 3.424 40 0 IGABRN CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000224808498 557653808 /nfs/dbraw/zinc/65/38/08/557653808.db2.gz WBGIOXOERVICBO-UHFFFAOYSA-N 0 0 431.869 3.255 40 0 IGABRN COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 ZINC000224849973 557658672 /nfs/dbraw/zinc/65/86/72/557658672.db2.gz RKDKWMKXMBODAN-LBPRGKRZSA-N 0 0 444.912 3.140 40 0 IGABRN CC(=O)c1cccc(N(CCCC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000224851229 557658787 /nfs/dbraw/zinc/65/87/87/557658787.db2.gz UXYBXPBTTZWRJU-UHFFFAOYSA-N 0 0 446.569 3.247 40 0 IGABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1I ZINC000224869262 557660514 /nfs/dbraw/zinc/66/05/14/557660514.db2.gz QMNMXKSVHYEPQQ-LLVKDONJSA-N 0 0 447.294 3.348 40 0 IGABRN COC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224873511 557660791 /nfs/dbraw/zinc/66/07/91/557660791.db2.gz IQLVITJNRPEPKA-UHFFFAOYSA-N 0 0 428.304 3.134 40 0 IGABRN Cc1ccc(C)c(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(=O)(=O)N(C)C)c1 ZINC000224875148 557661055 /nfs/dbraw/zinc/66/10/55/557661055.db2.gz VVTCXKBWGPTPRV-UHFFFAOYSA-N 0 0 445.463 3.454 40 0 IGABRN CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000224879060 557661562 /nfs/dbraw/zinc/66/15/62/557661562.db2.gz ZXFQBHYPAYDUAP-UHFFFAOYSA-N 0 0 448.595 3.495 40 0 IGABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000224894824 557663914 /nfs/dbraw/zinc/66/39/14/557663914.db2.gz RFIKDZNKEPJELF-LBPRGKRZSA-N 0 0 432.420 3.387 40 0 IGABRN CC(C)Oc1cccc(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)c1 ZINC000224909834 557665703 /nfs/dbraw/zinc/66/57/03/557665703.db2.gz MOBYICIXZNMBGO-UHFFFAOYSA-N 0 0 448.585 3.353 40 0 IGABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cc1OC ZINC000224929773 557668015 /nfs/dbraw/zinc/66/80/15/557668015.db2.gz JIFCOOKJVRITID-INIZCTEOSA-N 0 0 447.557 3.097 40 0 IGABRN CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224931359 557668438 /nfs/dbraw/zinc/66/84/38/557668438.db2.gz MJBCJCXMQRKIIU-OAQYLSRUSA-N 0 0 431.558 3.479 40 0 IGABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000224970505 557672827 /nfs/dbraw/zinc/67/28/27/557672827.db2.gz IBVYIAXIOJTZPV-UHFFFAOYSA-N 0 0 443.569 3.091 40 0 IGABRN CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000225010957 557677193 /nfs/dbraw/zinc/67/71/93/557677193.db2.gz MVCPNVOTTVDVHY-QFIPXVFZSA-N 0 0 445.585 3.323 40 0 IGABRN CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000225065534 557684762 /nfs/dbraw/zinc/68/47/62/557684762.db2.gz QJSMROICWBHIDN-UHFFFAOYSA-N 0 0 427.478 3.385 40 0 IGABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000225094171 557687193 /nfs/dbraw/zinc/68/71/93/557687193.db2.gz JCJVDIOEJQMCME-QFIPXVFZSA-N 0 0 428.529 3.416 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCc1ccc(F)cc1 ZINC000225127505 557690352 /nfs/dbraw/zinc/69/03/52/557690352.db2.gz NEYWCSRNRJAFOQ-UHFFFAOYSA-N 0 0 448.560 3.300 40 0 IGABRN Cc1ccc(CN(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)S(C)(=O)=O)cc1 ZINC000225180254 557696892 /nfs/dbraw/zinc/69/68/92/557696892.db2.gz GALPTLWXFDZESP-UHFFFAOYSA-N 0 0 447.582 3.353 40 0 IGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccc(C)cc2)cc1OC ZINC000225193859 557698508 /nfs/dbraw/zinc/69/85/08/557698508.db2.gz UVTJRGPPMACHJY-KRWDZBQOSA-N 0 0 434.558 3.368 40 0 IGABRN COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1 ZINC000225196078 557698892 /nfs/dbraw/zinc/69/88/92/557698892.db2.gz HZJZIBADNWARKH-AWEZNQCLSA-N 0 0 440.949 3.309 40 0 IGABRN COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 ZINC000225210324 557700595 /nfs/dbraw/zinc/70/05/95/557700595.db2.gz GFFGKKHZPKYWBT-VXKWHMMOSA-N 0 0 435.553 3.491 40 0 IGABRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 ZINC000225210441 557700648 /nfs/dbraw/zinc/70/06/48/557700648.db2.gz GFFGKKHZPKYWBT-FGZHOGPDSA-N 0 0 435.553 3.491 40 0 IGABRN CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccccc1F)S(C)(=O)=O ZINC000225223320 557702013 /nfs/dbraw/zinc/70/20/13/557702013.db2.gz IUEDIFWPPJQEQR-LBPRGKRZSA-N 0 0 432.568 3.361 40 0 IGABRN COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cccc(SC)c2)S(C)(=O)=O)c1 ZINC000225290705 557709464 /nfs/dbraw/zinc/70/94/64/557709464.db2.gz FPPVORCCKXVZJA-AWEZNQCLSA-N 0 0 438.571 3.069 40 0 IGABRN CC(C)Oc1cccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c1 ZINC000225309735 557710692 /nfs/dbraw/zinc/71/06/92/557710692.db2.gz HWJSVDIWAXHBMW-UHFFFAOYSA-N 0 0 436.549 3.124 40 0 IGABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccccc1OC ZINC000225347573 557713010 /nfs/dbraw/zinc/71/30/10/557713010.db2.gz OAZXXDYVBJQVHD-ZWKOTPCHSA-N 0 0 428.529 3.415 40 0 IGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(OC)cc1 ZINC000225381333 557716605 /nfs/dbraw/zinc/71/66/05/557716605.db2.gz QHBUZWVNRZLWJR-MSOLQXFVSA-N 0 0 428.529 3.415 40 0 IGABRN COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1NS(C)(=O)=O ZINC000225414704 557720249 /nfs/dbraw/zinc/72/02/49/557720249.db2.gz WOXBKOAOPOJOCY-OALUTQOASA-N 0 0 444.538 3.232 40 0 IGABRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000225532599 557737587 /nfs/dbraw/zinc/73/75/87/557737587.db2.gz ZWIQNZWHQWXBDR-MRXNPFEDSA-N 0 0 447.532 3.003 40 0 IGABRN COc1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000028943306 557738583 /nfs/dbraw/zinc/73/85/83/557738583.db2.gz WTTBXOFIUQHGBH-UHFFFAOYSA-N 0 0 428.485 3.346 40 0 IGABRN CCCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1 ZINC000225543042 557739483 /nfs/dbraw/zinc/73/94/83/557739483.db2.gz DRLIPQBIOZQEDF-LBPRGKRZSA-N 0 0 444.579 3.219 40 0 IGABRN C[C@H](COc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000225555647 557741713 /nfs/dbraw/zinc/74/17/13/557741713.db2.gz UWRNKSXRVZVLMS-IAGOWNOFSA-N 0 0 436.961 3.324 40 0 IGABRN Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC(C)(C)O2 ZINC000225563001 557742756 /nfs/dbraw/zinc/74/27/56/557742756.db2.gz IAQNODKTHLEILG-HXUWFJFHSA-N 0 0 444.553 3.048 40 0 IGABRN O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccccc2F)CCOCC1 ZINC000225571336 557744702 /nfs/dbraw/zinc/74/47/02/557744702.db2.gz PCUMQNFLMQOOJH-UHFFFAOYSA-N 0 0 428.504 3.224 40 0 IGABRN Cc1cc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)ccc1F ZINC000225610302 557751271 /nfs/dbraw/zinc/75/12/71/557751271.db2.gz IDNHIVGODHTKEV-UHFFFAOYSA-N 0 0 426.267 3.425 40 0 IGABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000225621270 557753242 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Cc1nnc(Nc2cccc([C@@H]3CN(CC(=O)N(C)C4CCCCC4)CCO3)n2)s1 ZINC000257313098 568716748 /nfs/dbraw/zinc/71/67/48/568716748.db2.gz URASPOOOSWSXQA-SFHVURJKSA-N 0 0 430.578 3.150 40 0 IGABRN Cc1noc(CCC(=O)N2CCO[C@H](c3cccc(Nc4nc(C)c(C)s4)n3)C2)n1 ZINC000257317352 568718944 /nfs/dbraw/zinc/71/89/44/568718944.db2.gz VJKZQZOIKAIDCK-INIZCTEOSA-N 0 0 428.518 3.123 40 0 IGABRN Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c(=O)n1 ZINC000257318099 568719264 /nfs/dbraw/zinc/71/92/64/568719264.db2.gz VMMYJNSRWAGUGS-IBGZPJMESA-N 0 0 426.904 3.456 40 0 IGABRN CCN1CCN(C(=O)Cn2nc(C)nc2C)[C@@H](Cc2ccccc2-c2cccc(C)c2)C1=O ZINC000257318905 568719324 /nfs/dbraw/zinc/71/93/24/568719324.db2.gz VPXOCSRZZINSAE-DEOSSOPVSA-N 0 0 445.567 3.172 40 0 IGABRN O=S(=O)(c1ccccc1Cl)N1CCC(c2cncc(Nc3cnccn3)n2)CC1 ZINC000257318896 568719559 /nfs/dbraw/zinc/71/95/59/568719559.db2.gz VPWHTMOKYLHGEG-UHFFFAOYSA-N 0 0 430.921 3.232 40 0 IGABRN Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)CN4CCOCC4)CC3)CO[C@H]21 ZINC000257318998 568719622 /nfs/dbraw/zinc/71/96/22/568719622.db2.gz VQGMVHBTZYLDDG-NZQKXSOJSA-N 0 0 428.573 3.185 40 0 IGABRN CCOc1ccccc1C(=O)N1CC[C@H](c2nc(C)c(CC(=O)N3CCCC3)c(C)n2)C1 ZINC000257328655 568723679 /nfs/dbraw/zinc/72/36/79/568723679.db2.gz XGOQLLPBBURPCO-IBGZPJMESA-N 0 0 436.556 3.287 40 0 IGABRN Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC[C@@H](CC(=O)NCCn2ccnc2)C1 ZINC000257329066 568723960 /nfs/dbraw/zinc/72/39/60/568723960.db2.gz XIGFJGYXGQBKTF-KRWDZBQOSA-N 0 0 441.963 3.314 40 0 IGABRN O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257330347 568724460 /nfs/dbraw/zinc/72/44/60/568724460.db2.gz XNZILSHZJZWTFT-NRFANRHFSA-N 0 0 432.455 3.478 40 0 IGABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000261365443 568733408 /nfs/dbraw/zinc/73/34/08/568733408.db2.gz SILJHBSDHYEVEF-NRFANRHFSA-O 0 0 439.517 3.179 40 0 IGABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)cc1 ZINC000261364448 568733518 /nfs/dbraw/zinc/73/35/18/568733518.db2.gz LOTAFAGZERDBCX-NRFANRHFSA-O 0 0 437.501 3.087 40 0 IGABRN CCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261366348 568733882 /nfs/dbraw/zinc/73/38/82/568733882.db2.gz ZADXHNXZUMXHCA-IBGZPJMESA-O 0 0 427.506 3.334 40 0 IGABRN CC(C)(C)OC(=O)N1CCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000261526616 568734991 /nfs/dbraw/zinc/73/49/91/568734991.db2.gz DUFOWQKVYDVEBF-AWEZNQCLSA-N 0 0 428.316 3.178 40 0 IGABRN COC[C@@]1(C(N)=S)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218222118 568740848 /nfs/dbraw/zinc/74/08/48/568740848.db2.gz HUMCWUPLOSKDKL-XYJFISCASA-N 0 0 440.384 3.308 40 0 IGABRN CC(C)n1cnc([C@@H]2CN(C(=O)c3ccco3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306123614 568762709 /nfs/dbraw/zinc/76/27/09/568762709.db2.gz ARZXHQOYBZWYIE-CYFREDJKSA-N 0 0 433.512 3.111 40 0 IGABRN COc1ncccc1-c1ccc2c(c1)[C@@H]1CN(Cc3cnn(C(C)C)c3)C[C@@H]1S2(=O)=O ZINC000306123542 568762843 /nfs/dbraw/zinc/76/28/43/568762843.db2.gz APRQZJZQZZIACW-UNMCSNQZSA-N 0 0 438.553 3.290 40 0 IGABRN Cc1nc(C(=O)N2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cs1 ZINC000306130775 568766386 /nfs/dbraw/zinc/76/63/86/568766386.db2.gz JOYMWLBKWKONRX-YJBOKZPZSA-N 0 0 429.498 3.048 40 0 IGABRN Cc1nc(C(=O)N2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cs1 ZINC000306130772 568766452 /nfs/dbraw/zinc/76/64/52/568766452.db2.gz JOYMWLBKWKONRX-CRAIPNDOSA-N 0 0 429.498 3.048 40 0 IGABRN Cc1ccc(N2CCC3(CC2)Nc2cccnc2-n2c(C(=O)NC4CCC4)ccc23)nn1 ZINC000306134138 568768212 /nfs/dbraw/zinc/76/82/12/568768212.db2.gz NEECWXDSJXUDKH-UHFFFAOYSA-N 0 0 429.528 3.174 40 0 IGABRN Cc1cccc(C(=O)N2Cc3cn(C(C)C)nc3C3(CCN(c4ncccn4)CC3)C2)n1 ZINC000306134181 568768267 /nfs/dbraw/zinc/76/82/67/568768267.db2.gz NFHABYRNCZYGLF-UHFFFAOYSA-N 0 0 431.544 3.152 40 0 IGABRN Cc1nc(CN2C[C@]3(CCN(C(=O)CC(C)C)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306136073 568769168 /nfs/dbraw/zinc/76/91/68/568769168.db2.gz PIJJKGCGNNQFFP-OAQYLSRUSA-N 0 0 449.598 3.052 40 0 IGABRN COc1cccc(-c2cnc3c(N4CCN(C(=O)c5csc(C)n5)CC4)nccn23)c1 ZINC000306137093 568769761 /nfs/dbraw/zinc/76/97/61/568769761.db2.gz QLIZXUVDENTJTR-UHFFFAOYSA-N 0 0 434.525 3.132 40 0 IGABRN CCc1ccc(NC(=O)N2CC[C@@]3(C2)COCC[C@H]3NS(=O)(=O)c2ccccc2)cc1 ZINC000306143558 568773197 /nfs/dbraw/zinc/77/31/97/568773197.db2.gz YFNLPNSFJUFYMD-FYYLOGMGSA-N 0 0 443.569 3.240 40 0 IGABRN O=S1(=O)c2ccccc2O[C@]2(CCN(Cc3cccs3)C2)CN1Cc1ccccn1 ZINC000306143120 568773235 /nfs/dbraw/zinc/77/32/35/568773235.db2.gz XTQMHUQRIGAXSI-QFIPXVFZSA-N 0 0 441.578 3.371 40 0 IGABRN COc1ncccc1CN1CCN(C)[C@H](c2nnn3cc(-c4cccc(F)c4)ccc23)C1 ZINC000306144645 568773859 /nfs/dbraw/zinc/77/38/59/568773859.db2.gz ZKWBSWPJTCGRLG-QFIPXVFZSA-N 0 0 432.503 3.428 40 0 IGABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)cc2F)cc(C(F)(F)F)n1 ZINC000329013562 568809330 /nfs/dbraw/zinc/80/93/30/568809330.db2.gz MQPSJRAXTYAUBM-GFCCVEGCSA-N 0 0 437.235 3.413 40 0 IGABRN Nc1ccc(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1 ZINC000329048485 568810222 /nfs/dbraw/zinc/81/02/22/568810222.db2.gz ULBOBEBZFTWZAJ-UHFFFAOYSA-N 0 0 429.402 3.295 40 0 IGABRN CCOC(=O)[C@H](CC)[C@](O)(c1ccc2c(c1)OCO2)c1cc(OC)c(OC)c(OC)c1 ZINC000001682193 569081555 /nfs/dbraw/zinc/08/15/55/569081555.db2.gz AZRBKXQAGRLIPZ-HJPURHCSSA-N 0 0 432.469 3.266 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)C2)cc1Cl ZINC000230035158 569185018 /nfs/dbraw/zinc/18/50/18/569185018.db2.gz WZMNLECJJAXHGA-RLFYNMQTSA-N 0 0 428.982 3.444 40 0 IGABRN COc1ccc(CN2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@@H]5CC=CCC5)C4)nc3C2)cc1 ZINC000247908513 569206404 /nfs/dbraw/zinc/20/64/04/569206404.db2.gz TXCSJADYHKULRI-UXHICEINSA-N 0 0 448.567 3.421 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000007365800 569218721 /nfs/dbraw/zinc/21/87/21/569218721.db2.gz CLWFTQMZIRQQEA-UHFFFAOYSA-N 0 0 427.570 3.132 40 0 IGABRN Cc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCCCC4)cc3C[C@@H]2C)cc1 ZINC000010119297 569221466 /nfs/dbraw/zinc/22/14/66/569221466.db2.gz CBMXJRAGDDQNNS-KRWDZBQOSA-N 0 0 434.583 3.310 40 0 IGABRN COCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 ZINC000010134789 569221612 /nfs/dbraw/zinc/22/16/12/569221612.db2.gz OXMJFVOVTFVSGV-UHFFFAOYSA-N 0 0 443.594 3.489 40 0 IGABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(C(C)(C)C)cc2)C1C(=O)c1cccc(OC)c1 ZINC000010232303 569221956 /nfs/dbraw/zinc/22/19/56/569221956.db2.gz JKPBVZMSKDWVAK-HXUWFJFHSA-N 0 0 447.495 3.304 40 0 IGABRN COC(=O)C1=Nc2nnnn2[C@@H](c2ccc(C(C)C)cc2)C1C(=O)c1cccc(OC)c1 ZINC000010232302 569221989 /nfs/dbraw/zinc/22/19/89/569221989.db2.gz VJOKTHHFMRERGH-FQEVSTJZSA-N 0 0 433.468 3.130 40 0 IGABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCCC1 ZINC000015267385 569225374 /nfs/dbraw/zinc/22/53/74/569225374.db2.gz AHXCGNIUFPCFGC-UHFFFAOYSA-N 0 0 432.498 3.241 40 0 IGABRN NC(=O)c1cccc(-c2ccc([C@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)nc2)c1 ZINC000019692623 569228052 /nfs/dbraw/zinc/22/80/52/569228052.db2.gz GMHKFLNDRCWASP-XMMPIXPASA-N 0 0 440.503 3.471 40 0 IGABRN COc1cccc2cc(CN3CCO[C@@H](c4nc(N(C)C)ncc4-c4cncnc4)C3)oc21 ZINC000019692970 569228505 /nfs/dbraw/zinc/22/85/05/569228505.db2.gz DPHUYLBHLXTETE-OAQYLSRUSA-N 0 0 446.511 3.328 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3ccccc3F)C2)cc1F ZINC000019693144 569228619 /nfs/dbraw/zinc/22/86/19/569228619.db2.gz GAOVNIHRAKGIGX-LJQANCHMSA-N 0 0 431.464 3.492 40 0 IGABRN CC(C)c1nnc(CCC(=O)N2CCO[C@H](c3nccnc3-c3ccccc3F)C2)o1 ZINC000019693325 569228728 /nfs/dbraw/zinc/22/87/28/569228728.db2.gz TVLMYMQZMIXPNZ-KRWDZBQOSA-N 0 0 425.464 3.322 40 0 IGABRN COc1ccc(CC(=O)N2CC[C@H](c3nc(C)c4c(n3)N(CC(C)C)C(=O)CC4)C2)cc1 ZINC000019696269 569229688 /nfs/dbraw/zinc/22/96/88/569229688.db2.gz MMEMRALLWSABIY-IBGZPJMESA-N 0 0 436.556 3.287 40 0 IGABRN CN(C)c1ncc(-c2cncnc2)c([C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)n1 ZINC000019695095 569229693 /nfs/dbraw/zinc/22/96/93/569229693.db2.gz VTGWWAAKTNIUGD-SFHVURJKSA-N 0 0 434.519 3.478 40 0 IGABRN CNC(=O)c1[nH]c(C2CCN(C(=O)c3cnc(C)nc3C)CC2)nc1-c1ccc(F)cc1 ZINC000019696938 569229829 /nfs/dbraw/zinc/22/98/29/569229829.db2.gz JWHTXEAMBQLGGG-UHFFFAOYSA-N 0 0 436.491 3.002 40 0 IGABRN CN(C)c1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 ZINC000019697318 569229905 /nfs/dbraw/zinc/22/99/05/569229905.db2.gz HDLYPBIPIIPSRO-SFHVURJKSA-N 0 0 447.539 3.254 40 0 IGABRN CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CCO1 ZINC000019697703 569230022 /nfs/dbraw/zinc/23/00/22/569230022.db2.gz MFNVNFQSVWIIIU-QGZVFWFLSA-N 0 0 447.520 3.055 40 0 IGABRN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CCn2nccc2C)CC1 ZINC000019700221 569231153 /nfs/dbraw/zinc/23/11/53/569231153.db2.gz IHLKYLVUUQDDCH-UHFFFAOYSA-N 0 0 445.567 3.241 40 0 IGABRN Cc1nc(N2CCCC2)sc1C(=O)N1CC[C@H](c2c3cccnc3sc2C(N)=O)C1 ZINC000019702064 569231569 /nfs/dbraw/zinc/23/15/69/569231569.db2.gz DDKJSSAQDIAGPM-ZDUSSCGKSA-N 0 0 441.582 3.390 40 0 IGABRN Cc1ncc(CN2CCO[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)s1 ZINC000019702840 569232376 /nfs/dbraw/zinc/23/23/76/569232376.db2.gz JIIGGBILCLYAQK-QGZVFWFLSA-N 0 0 444.582 3.107 40 0 IGABRN 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569234810 /nfs/dbraw/zinc/23/48/10/569234810.db2.gz MTUTYJXHQLWFJX-FQEVSTJZSA-N 0 0 446.555 3.089 40 0 IGABRN COc1ccc(C)cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713142 569235461 /nfs/dbraw/zinc/23/54/61/569235461.db2.gz RFHPLOCVKGYIMM-WOJBJXKFSA-N 0 0 446.544 3.487 40 0 IGABRN Cc1nc(C)n(CCC(=O)N2[C@@H](c3ccc(C(F)(F)F)cc3)C[C@@H]3NC(=O)CCC[C@H]32)n1 ZINC000019713809 569235783 /nfs/dbraw/zinc/23/57/83/569235783.db2.gz UHGKWOZJBSJIRE-IPMKNSEASA-N 0 0 449.477 3.315 40 0 IGABRN Cc1ncc(C(=O)N2CC[C@H](c3nc(C)c4c(n3)N(CCC(C)C)C(=O)CC4)C2)c(C)n1 ZINC000019738830 569236027 /nfs/dbraw/zinc/23/60/27/569236027.db2.gz SYZRWZIDKOPUBC-SFHVURJKSA-N 0 0 436.560 3.147 40 0 IGABRN Cc1nc([C@H]2CCCCN2C(=O)CCN(C)c2ccc(F)cc2)ncc1C(=O)N(C)C ZINC000019751818 569236687 /nfs/dbraw/zinc/23/66/87/569236687.db2.gz VGWFELXKICHZBY-HXUWFJFHSA-N 0 0 427.524 3.206 40 0 IGABRN COc1ccc(-c2ccc(OC)cc2C(=O)N2CC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1 ZINC000019758206 569237342 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HGKWTIMXIVTQEZ-GFCCVEGCSA-N 0 0 427.320 3.072 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(C)cc(C)c3)C2)cc1OC ZINC000408553285 555882294 /nfs/dbraw/zinc/88/22/94/555882294.db2.gz PUTCFRSVIASLAV-KRWDZBQOSA-N 0 0 432.542 3.360 40 0 IGABRN CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000408561427 555903572 /nfs/dbraw/zinc/90/35/72/555903572.db2.gz SISKLSUHBSEKAE-UHFFFAOYSA-N 0 0 428.982 3.398 40 0 IGABRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000408561436 555903631 /nfs/dbraw/zinc/90/36/31/555903631.db2.gz SKNZPBWDYHZQRG-MRXNPFEDSA-N 0 0 448.541 3.060 40 0 IGABRN COc1cccc(C2=NN(C(=O)CCc3ccc4c(c3)OCO4)[C@](O)(C(F)(F)F)C2)c1 ZINC000408562961 555906425 /nfs/dbraw/zinc/90/64/25/555906425.db2.gz GYKSXXAHRLHTJX-HXUWFJFHSA-N 0 0 436.386 3.244 40 0 IGABRN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1Cl ZINC000408585632 555936165 /nfs/dbraw/zinc/93/61/65/555936165.db2.gz HJQIHDDGTXEBSV-UHFFFAOYSA-N 0 0 427.862 3.113 40 0 IGABRN COC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000408587422 555937565 /nfs/dbraw/zinc/93/75/65/555937565.db2.gz BVKSHPFJWRNPHA-NRFANRHFSA-N 0 0 438.505 3.002 40 0 IGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(Br)c2)cc1 ZINC000408587303 555937596 /nfs/dbraw/zinc/93/75/96/555937596.db2.gz BKMHBEFVJPKHHR-GFCCVEGCSA-N 0 0 427.320 3.153 40 0 IGABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000408588556 555940728 /nfs/dbraw/zinc/94/07/28/555940728.db2.gz GSJZFWGAGUPVTG-SFHVURJKSA-N 0 0 448.972 3.334 40 0 IGABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2C)cc1OC ZINC000408590715 555951498 /nfs/dbraw/zinc/95/14/98/555951498.db2.gz KNWLQRSNABKFFI-UHFFFAOYSA-N 0 0 448.541 3.204 40 0 IGABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1Cl ZINC000408593317 555954316 /nfs/dbraw/zinc/95/43/16/555954316.db2.gz MJDLWJRSFPEIMI-OAHLLOKOSA-N 0 0 438.933 3.075 40 0 IGABRN Cc1csc2[nH]c(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc(=O)c12 ZINC000408597852 555955882 /nfs/dbraw/zinc/95/58/82/555955882.db2.gz MZKKFGWZPDGQLT-UHFFFAOYSA-N 0 0 441.538 3.234 40 0 IGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1Cl ZINC000408597929 555956223 /nfs/dbraw/zinc/95/62/23/555956223.db2.gz WPPRNCXGOQYOHQ-LBPRGKRZSA-N 0 0 431.341 3.375 40 0 IGABRN Cc1cc(I)cc(C)c1NC(=O)CN1C(=O)COc2ccccc21 ZINC000408599941 555958657 /nfs/dbraw/zinc/95/86/57/555958657.db2.gz PBTZMJRYSJRRMI-UHFFFAOYSA-N 0 0 436.249 3.272 40 0 IGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1Cl ZINC000408593613 555959654 /nfs/dbraw/zinc/95/96/54/555959654.db2.gz MQTWSGFMYKTWCT-GFCCVEGCSA-N 0 0 439.921 3.003 40 0 IGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccccc1Cl ZINC000408593669 555959950 /nfs/dbraw/zinc/95/99/50/555959950.db2.gz NBJOGQZEIYKTAF-UHFFFAOYSA-N 0 0 445.324 3.032 40 0 IGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccccc2OCC)cc1Cl ZINC000408607095 555967435 /nfs/dbraw/zinc/96/74/35/555967435.db2.gz QAJYRARMWSXXNI-ZDUSSCGKSA-N 0 0 426.922 3.443 40 0 IGABRN COCCNC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1C ZINC000408602249 555971212 /nfs/dbraw/zinc/97/12/12/555971212.db2.gz IMHYCZDZSDGGQG-UHFFFAOYSA-N 0 0 431.341 3.157 40 0 IGABRN C[C@H](NC(=O)CN(Cc1ccc(Br)cc1)S(C)(=O)=O)c1ccccc1 ZINC000408604608 555974607 /nfs/dbraw/zinc/97/46/07/555974607.db2.gz FBZGMGXANNLAQX-AWEZNQCLSA-N 0 0 425.348 3.088 40 0 IGABRN CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000408617748 555981484 /nfs/dbraw/zinc/98/14/84/555981484.db2.gz JANUETOBJKZKPK-UHFFFAOYSA-N 0 0 437.949 3.227 40 0 IGABRN COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(OC)c1 ZINC000408616856 555988056 /nfs/dbraw/zinc/98/80/56/555988056.db2.gz BJPNICBPEAQXFW-UHFFFAOYSA-N 0 0 448.541 3.286 40 0 IGABRN COC[C@H](C)NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000408617326 555988347 /nfs/dbraw/zinc/98/83/47/555988347.db2.gz GFRIFIKOIQTBRE-AWEZNQCLSA-N 0 0 430.448 3.052 40 0 IGABRN CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)Cc1ccc(Br)cc1 ZINC000408620036 555988959 /nfs/dbraw/zinc/98/89/59/555988959.db2.gz JDDJIJCRFCLSEU-UHFFFAOYSA-N 0 0 433.274 3.128 40 0 IGABRN COC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408621474 555990132 /nfs/dbraw/zinc/99/01/32/555990132.db2.gz NFFMVNUQNFAAJP-HNNXBMFYSA-N 0 0 440.949 3.003 40 0 IGABRN CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1C ZINC000408621525 555990236 /nfs/dbraw/zinc/99/02/36/555990236.db2.gz LLVPJHVBZCDEDE-CYBMUJFWSA-N 0 0 426.922 3.361 40 0 IGABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O)CCC2 ZINC000408622916 555991657 /nfs/dbraw/zinc/99/16/57/555991657.db2.gz WVFXWBQUASWFBV-CYBMUJFWSA-N 0 0 436.555 3.125 40 0 IGABRN Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)c1 ZINC000408624775 555995341 /nfs/dbraw/zinc/99/53/41/555995341.db2.gz UJNALOIUZYFJJM-UHFFFAOYSA-N 0 0 429.542 3.026 40 0 IGABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000408629807 556000121 /nfs/dbraw/zinc/00/01/21/556000121.db2.gz IHRSWBLTZGGLED-INIZCTEOSA-N 0 0 448.541 3.445 40 0 IGABRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1nc(C)cs1 ZINC000035213640 556004298 /nfs/dbraw/zinc/00/42/98/556004298.db2.gz FOWXIFNBDVTZMK-UHFFFAOYSA-N 0 0 430.559 3.032 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCCCC1 ZINC000408635505 556013101 /nfs/dbraw/zinc/01/31/01/556013101.db2.gz COUGFARQFBYDNJ-UHFFFAOYSA-N 0 0 445.560 3.271 40 0 IGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(C)c1 ZINC000408636192 556018610 /nfs/dbraw/zinc/01/86/10/556018610.db2.gz XQGFNMICLMWGSC-UHFFFAOYSA-N 0 0 426.922 3.363 40 0 IGABRN COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 ZINC000408645089 556021163 /nfs/dbraw/zinc/02/11/63/556021163.db2.gz JSVBPEXBCDQLLD-CQSZACIVSA-N 0 0 446.887 3.200 40 0 IGABRN O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408647382 556022844 /nfs/dbraw/zinc/02/28/44/556022844.db2.gz XDEVYHBFHKIMGH-VLCRHTCISA-N 0 0 444.487 3.096 40 0 IGABRN O=C(Oc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408647381 556022856 /nfs/dbraw/zinc/02/28/56/556022856.db2.gz XDEVYHBFHKIMGH-STZQEDGTSA-N 0 0 444.487 3.096 40 0 IGABRN CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccccc5)C4)cc3)C(=O)[C@@H]2C1 ZINC000408643288 556023575 /nfs/dbraw/zinc/02/35/75/556023575.db2.gz RBKNTQHGDYJBFS-BULFRSBZSA-N 0 0 444.487 3.491 40 0 IGABRN Cc1c(Cl)c(Br)ccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000408651785 556027724 /nfs/dbraw/zinc/02/77/24/556027724.db2.gz HIGOKIDZEVSNQJ-ZTWXESEWSA-N 0 0 442.693 3.090 40 0 IGABRN Cc1cc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cccc(C)c4C)cc3C2=O)no1 ZINC000408654300 556035184 /nfs/dbraw/zinc/03/51/84/556035184.db2.gz BFDQPQGSXJTOAN-UHFFFAOYSA-N 0 0 433.420 3.196 40 0 IGABRN CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 ZINC000408658357 556035805 /nfs/dbraw/zinc/03/58/05/556035805.db2.gz RCPLWDARHNTDEU-OAHLLOKOSA-N 0 0 444.871 3.052 40 0 IGABRN Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)ccc1Br ZINC000408657808 556038699 /nfs/dbraw/zinc/03/86/99/556038699.db2.gz PJWMIBPPLONBPB-AWEZNQCLSA-N 0 0 437.334 3.420 40 0 IGABRN COc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(Br)cc1 ZINC000408662438 556041793 /nfs/dbraw/zinc/04/17/93/556041793.db2.gz IODICXFKIVQDCK-UHFFFAOYSA-N 0 0 435.274 3.358 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408662466 556042937 /nfs/dbraw/zinc/04/29/37/556042937.db2.gz IVINITVPAUBVBO-INIZCTEOSA-N 0 0 426.469 3.003 40 0 IGABRN COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)cc1 ZINC000408662936 556045713 /nfs/dbraw/zinc/04/57/13/556045713.db2.gz OFYNXQVDDXPROH-REDKUUPNSA-N 0 0 448.475 3.192 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(OCC)cc2)cc1 ZINC000408663755 556046971 /nfs/dbraw/zinc/04/69/71/556046971.db2.gz NIQWLRDFKOYEFV-UHFFFAOYSA-N 0 0 442.468 3.163 40 0 IGABRN CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccccc2OC)cc1 ZINC000408666203 556050792 /nfs/dbraw/zinc/05/07/92/556050792.db2.gz XKLULEGOLXEKBI-UHFFFAOYSA-N 0 0 442.468 3.163 40 0 IGABRN CCOc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408666862 556051977 /nfs/dbraw/zinc/05/19/77/556051977.db2.gz SYGDKPYWXMVZAC-OALUTQOASA-N 0 0 448.475 3.336 40 0 IGABRN O=C(CN(Cc1ccccc1)Cc1ccccc1)[C@@H](O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O ZINC000005496241 556056535 /nfs/dbraw/zinc/05/65/35/556056535.db2.gz XMZAIGUGIRWAQM-XDZXDJIYSA-N 0 0 447.531 3.094 40 0 IGABRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1=O ZINC000408672670 556063302 /nfs/dbraw/zinc/06/33/02/556063302.db2.gz VSVITYNLJJCQOC-INIZCTEOSA-N 0 0 436.464 3.006 40 0 IGABRN COc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(=O)Nn3c(C)ccc3C)c2)CC1=O ZINC000408683345 556082935 /nfs/dbraw/zinc/08/29/35/556082935.db2.gz LGOGGZBACYCEDI-IBGZPJMESA-N 0 0 446.507 3.489 40 0 IGABRN Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@H](C)C3)c(=O)[nH]c2cc1C ZINC000006321116 556084933 /nfs/dbraw/zinc/08/49/33/556084933.db2.gz 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ADGNWNVVIDHWOC-GOSISDBHSA-N 0 0 443.573 3.201 40 0 IGABRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](c2cccc(Nc3ncccc3C)n2)C1 ZINC000072376117 556954203 /nfs/dbraw/zinc/95/42/03/556954203.db2.gz QJGSKFHWQBJYGT-QGZVFWFLSA-N 0 0 426.546 3.437 40 0 IGABRN Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)c(C)c1 ZINC000020004360 556957699 /nfs/dbraw/zinc/95/76/99/556957699.db2.gz YRXGSUSZPULFPK-QFIPXVFZSA-N 0 0 437.565 3.213 40 0 IGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccco2)cc1Cl ZINC000020006027 556958212 /nfs/dbraw/zinc/95/82/12/556958212.db2.gz HGSBQHUYAIXJCX-IBGZPJMESA-N 0 0 448.928 3.148 40 0 IGABRN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC000072389106 556959220 /nfs/dbraw/zinc/95/92/20/556959220.db2.gz PSOCYVKSRYZQQJ-OZXSUGGESA-N 0 0 436.552 3.197 40 0 IGABRN NC(=O)[C@@]1(Cc2ccc(-c3ccc(F)cc3)cc2)CN(C(=O)CC[C@@H]2CCCO2)CCO1 ZINC000072389291 556959367 /nfs/dbraw/zinc/95/93/67/556959367.db2.gz FDYQNTRAYDKHFY-WIOPSUGQSA-N 0 0 440.515 3.077 40 0 IGABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000020010636 556960342 /nfs/dbraw/zinc/96/03/42/556960342.db2.gz CKIOEQRJMVDVIE-AWEZNQCLSA-N 0 0 425.348 3.255 40 0 IGABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)c2cccc(Br)c2)cc1 ZINC000020010633 556960382 /nfs/dbraw/zinc/96/03/82/556960382.db2.gz CKIOEQRJMVDVIE-CQSZACIVSA-N 0 0 425.348 3.255 40 0 IGABRN CCOc1cc(CO)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409119015 556960922 /nfs/dbraw/zinc/96/09/22/556960922.db2.gz RRLSQLPJHSKOFD-UHFFFAOYSA-N 0 0 448.278 3.258 40 0 IGABRN COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000020013933 556961105 /nfs/dbraw/zinc/96/11/05/556961105.db2.gz JDGVBVZFURMEAN-LBPRGKRZSA-N 0 0 431.341 3.500 40 0 IGABRN Cc1ccc2c(c1)C(=O)NCC1(CCC(N(C)S(=O)(=O)c3ccc(F)cc3)CC1)O2 ZINC000072391117 556961579 /nfs/dbraw/zinc/96/15/79/556961579.db2.gz HPWRQAXUQKVJNR-UHFFFAOYSA-N 0 0 432.517 3.258 40 0 IGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1C ZINC000020015603 556961759 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436.556 3.125 40 0 IGABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(S(=O)(=O)N4CCCC4)C3)cc2n1 ZINC000012220384 519832821 /nfs/dbraw/zinc/83/28/21/519832821.db2.gz DGFCDWZSBOXAIE-CQSZACIVSA-N 0 0 445.511 3.392 40 0 IGABRN CCNc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020801845 520357507 /nfs/dbraw/zinc/35/75/07/520357507.db2.gz GTRKPSIRMIKGSA-SFHVURJKSA-N 0 0 445.523 3.377 40 0 IGABRN CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 ZINC000020802250 521278405 /nfs/dbraw/zinc/27/84/05/521278405.db2.gz CLZHEBICJGAUHY-RTWAWAEBSA-N 0 0 437.496 3.197 40 0 IGABRN CCC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022928751 521373711 /nfs/dbraw/zinc/37/37/11/521373711.db2.gz USQPWOUGGKLDOU-HSZRJFAPSA-N 0 0 448.571 3.454 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c(C)c1 ZINC000020489629 521514459 /nfs/dbraw/zinc/51/44/59/521514459.db2.gz UCKNBJWSIZBEBL-UHFFFAOYSA-N 0 0 430.526 3.350 40 0 IGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCc1ccccc1Cl ZINC000022252536 521658491 /nfs/dbraw/zinc/65/84/91/521658491.db2.gz GMKITFYUKFKVRC-UHFFFAOYSA-N 0 0 426.922 3.073 40 0 IGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000022252817 521659131 /nfs/dbraw/zinc/65/91/31/521659131.db2.gz NYRLFVASLNRXRI-UHFFFAOYSA-N 0 0 442.921 3.404 40 0 IGABRN COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(NC(C)=O)cc2)n1 ZINC000035425025 521751645 /nfs/dbraw/zinc/75/16/45/521751645.db2.gz KBDMMHXMWOKXAN-FQEVSTJZSA-N 0 0 437.500 3.452 40 0 biogenic,in-vitro IGABRN CCc1ccccc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21)S(C)(=O)=O ZINC000022330023 521850537 /nfs/dbraw/zinc/85/05/37/521850537.db2.gz ISPDNLPLWISGMB-LJQANCHMSA-N 0 0 446.569 3.442 40 0 IGABRN CC[C@@H](C(=O)NCc1ccccc1-n1ccnc1C)N(c1ccccc1)S(C)(=O)=O ZINC000020451237 521853277 /nfs/dbraw/zinc/85/32/77/521853277.db2.gz CCRJOAYWDRTTOT-FQEVSTJZSA-N 0 0 426.542 3.042 40 0 IGABRN COc1cc(C)ccc1OCC(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1 ZINC000012256466 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BZEMQJRFVYDSMK-GHXNOFRVSA-N 0 0 430.276 3.066 40 0 IGABRN COCCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)CCC3)C1 ZINC000019706560 556864717 /nfs/dbraw/zinc/86/47/17/556864717.db2.gz LHRKNRYJCBBEKK-HXUWFJFHSA-N 0 0 438.572 3.489 40 0 IGABRN CNc1nc([C@@H]2CCCCN2C(=O)c2c(C)onc2C(C)C)nc2c1CCN(C(C)=O)C2 ZINC000019708649 556869542 /nfs/dbraw/zinc/86/95/42/556869542.db2.gz ZHJOLUDHWVUETC-SFHVURJKSA-N 0 0 440.548 3.210 40 0 IGABRN CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)c2ccc3ncccc3c2)n1 ZINC000019709898 556871652 /nfs/dbraw/zinc/87/16/52/556871652.db2.gz JJWWALIXNYDWAS-QFIPXVFZSA-N 0 0 446.555 3.437 40 0 IGABRN CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2C(=O)c2cccc3cccnc32)n1 ZINC000019709922 556871686 /nfs/dbraw/zinc/87/16/86/556871686.db2.gz DNNGOPZLXVEPAY-NRFANRHFSA-N 0 0 446.555 3.437 40 0 IGABRN CC(=O)N1CCC(c2nc3c(c(NCCOc4cccc(C)c4C)n2)CN(C)CC3)CC1 ZINC000019710512 556873811 /nfs/dbraw/zinc/87/38/11/556873811.db2.gz RWRCHYMUJMKUHA-UHFFFAOYSA-N 0 0 437.588 3.298 40 0 IGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C)ccc3C)c(=O)n2[C@H]1c1ccccc1 ZINC000408866951 556873995 /nfs/dbraw/zinc/87/39/95/556873995.db2.gz JFZQULYJJWEGNK-PZHBDVNGSA-N 0 0 447.560 3.436 40 0 IGABRN COc1ccc(N([C@@H](C)C(=O)NCCSCc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000408877185 556876824 /nfs/dbraw/zinc/87/68/24/556876824.db2.gz SRUIHOAEEYJFGR-KRWDZBQOSA-N 0 0 436.599 3.208 40 0 IGABRN O=c1/c(=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)sc2nc3ccccc3n12 ZINC000408890815 556879147 /nfs/dbraw/zinc/87/91/47/556879147.db2.gz ZQHKJRZHCQITAO-ZHZULCJRSA-N 0 0 434.498 3.225 40 0 IGABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1cccc(F)c1)C(=O)CC2 ZINC000019740595 556880873 /nfs/dbraw/zinc/88/08/73/556880873.db2.gz GKQQMFCCUAGQGW-HXUWFJFHSA-N 0 0 448.502 3.412 40 0 IGABRN Cc1nnsc1C(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 ZINC000019740673 556881417 /nfs/dbraw/zinc/88/14/17/556881417.db2.gz LFMVJSMNPCUDNO-SFHVURJKSA-N 0 0 448.552 3.402 40 0 IGABRN Cc1nc(CC(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cs1 ZINC000019741339 556883271 /nfs/dbraw/zinc/88/32/71/556883271.db2.gz HEEZHYRXMDPNKQ-KRWDZBQOSA-N 0 0 439.585 3.188 40 0 IGABRN CC(=O)N1CCC(N2CCC[C@H]2c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1 ZINC000019741778 556884740 /nfs/dbraw/zinc/88/47/40/556884740.db2.gz OPNYBWMVMVAKPF-NRFANRHFSA-N 0 0 427.593 3.258 40 0 IGABRN Cc1nc([C@H]2CCCN2C(=O)CCOc2ccc(Cl)cc2)nc2c1CCC(=O)N2C ZINC000019742057 556885664 /nfs/dbraw/zinc/88/56/64/556885664.db2.gz FDLUNUOANHHTAS-GOSISDBHSA-N 0 0 428.920 3.480 40 0 IGABRN CCc1cc(C(=O)N2CCC[C@H](c3nc4c(c(C)n3)CC(=O)N4Cc3ccccc3)C2)on1 ZINC000019743712 556888717 /nfs/dbraw/zinc/88/87/17/556888717.db2.gz HAOWYAWJYFEWMX-SFHVURJKSA-N 0 0 445.523 3.445 40 0 IGABRN CCn1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(C)n2)CC(=O)N3CCc2ccccc2)n1 ZINC000019744203 556889867 /nfs/dbraw/zinc/88/98/67/556889867.db2.gz ZLMQLSOOYSCFBR-NRFANRHFSA-N 0 0 444.539 3.111 40 0 IGABRN COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc2c1OCO2 ZINC000408942234 556897638 /nfs/dbraw/zinc/89/76/38/556897638.db2.gz WZHRNDKHLSJNOT-MFOYZWKCSA-N 0 0 426.450 3.407 40 0 IGABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)c2)ncc1C(=O)Nc1ccccc1 ZINC000019755871 556899263 /nfs/dbraw/zinc/89/92/63/556899263.db2.gz CKNGVJQIRKQANP-HXUWFJFHSA-N 0 0 431.496 3.103 40 0 IGABRN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)C[C@H]3CCCO3)CC2)cc1 ZINC000019756489 556900182 /nfs/dbraw/zinc/90/01/82/556900182.db2.gz FJMBPNBPNCANHI-HXUWFJFHSA-N 0 0 440.544 3.031 40 0 IGABRN Cc1nc(CC2CCN(C(=O)CN(C)Cc3ccccn3)CC2)cc(NC2CCCC2)n1 ZINC000019757691 556901650 /nfs/dbraw/zinc/90/16/50/556901650.db2.gz BATQOHPJUXABHX-UHFFFAOYSA-N 0 0 436.604 3.448 40 0 IGABRN Cc1nc(CC2CCN(C(=O)CCc3[nH]nc4c3CCCC4)CC2)cc(N2CCCC2)n1 ZINC000019758801 556902493 /nfs/dbraw/zinc/90/24/93/556902493.db2.gz HWGVFVXZBQRCON-UHFFFAOYSA-N 0 0 436.604 3.401 40 0 IGABRN COc1cccc(C(=O)N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)c1 ZINC000408971518 556902832 /nfs/dbraw/zinc/90/28/32/556902832.db2.gz HMHXOIUVBNQLAV-UHFFFAOYSA-N 0 0 425.504 3.035 40 0 IGABRN O=C(NC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408972304 556903019 /nfs/dbraw/zinc/90/30/19/556903019.db2.gz PBGKQZCEYZHRQL-UHFFFAOYSA-N 0 0 429.380 3.299 40 0 IGABRN Cc1nc([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)ncc1C(=O)N1CCCC1 ZINC000019762967 556907791 /nfs/dbraw/zinc/90/77/91/556907791.db2.gz QPDAUKMMFWSBIA-NRFANRHFSA-N 0 0 448.567 3.295 40 0 IGABRN CC(C)c1nccn1CCC(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn32)CC1 ZINC000072334978 556907789 /nfs/dbraw/zinc/90/77/89/556907789.db2.gz MRWBWAVSYRNLHZ-UHFFFAOYSA-N 0 0 435.454 3.259 40 0 IGABRN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc(Br)cs2)C3)C[C@H](C)O1 ZINC000072335487 556908209 /nfs/dbraw/zinc/90/82/09/556908209.db2.gz NGWMRTYAFJMYEY-RYUDHWBXSA-N 0 0 439.379 3.178 40 0 IGABRN CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)c2cccs2)CC1 ZINC000072335830 556908757 /nfs/dbraw/zinc/90/87/57/556908757.db2.gz ADTCQEXBRXCRLI-UHFFFAOYSA-N 0 0 428.539 3.023 40 0 IGABRN Cc1nc(C2CCN(C(=O)c3cccnc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766393 556911689 /nfs/dbraw/zinc/91/16/89/556911689.db2.gz JUFBXKNNXXOBNB-UHFFFAOYSA-N 0 0 433.487 3.269 40 0 IGABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2C(=O)NCc2ccc(F)cc2)cn1 ZINC000019767192 556912287 /nfs/dbraw/zinc/91/22/87/556912287.db2.gz SGZKTWLFOLDYEP-OAQYLSRUSA-N 0 0 448.502 3.320 40 0 IGABRN CN(C)c1ncc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)cn1 ZINC000072341448 556913648 /nfs/dbraw/zinc/91/36/48/556913648.db2.gz JXDQAQMPGGHFGD-PMACEKPBSA-N 0 0 436.585 3.382 40 0 IGABRN C[C@@H](C(=O)N1CCC[C@@H](c2nn(CCNC(=O)C3CC3)c3ncccc23)C1)c1ccccc1 ZINC000072344695 556915247 /nfs/dbraw/zinc/91/52/47/556915247.db2.gz SYRDZGYAULCTDB-WIYYLYMNSA-N 0 0 445.567 3.467 40 0 IGABRN CCCn1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCN(C(=O)CC)CC3)o2)n1 ZINC000072344856 556915636 /nfs/dbraw/zinc/91/56/36/556915636.db2.gz PMBVKOAACOGIJD-SFHVURJKSA-N 0 0 428.537 3.160 40 0 IGABRN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)c2cnn(C)c2)CC1 ZINC000072345021 556916301 /nfs/dbraw/zinc/91/63/01/556916301.db2.gz IRAJNMMXDFDDMF-UHFFFAOYSA-N 0 0 431.540 3.083 40 0 IGABRN Cc1nc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)ncc1C(=O)Nc1ccccc1 ZINC000072345535 556917215 /nfs/dbraw/zinc/91/72/15/556917215.db2.gz UVWFNVKJRJTRBY-MRXNPFEDSA-N 0 0 436.541 3.312 40 0 IGABRN Cn1ccnc1C(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072346220 556917699 /nfs/dbraw/zinc/91/76/99/556917699.db2.gz WATYEUGTPWAQLM-AWEZNQCLSA-N 0 0 430.434 3.498 40 0 IGABRN CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)c2ccc(Cn3cccn3)o2)cc1 ZINC000072347403 556918824 /nfs/dbraw/zinc/91/88/24/556918824.db2.gz ZEVWFGLQOOKGRQ-HXUWFJFHSA-N 0 0 428.452 3.050 40 0 IGABRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000019818417 556921164 /nfs/dbraw/zinc/92/11/64/556921164.db2.gz LXPLTANFZVQKGI-LEWJYISDSA-N 0 0 437.496 3.197 40 0 IGABRN CCCN1CCN(C(=O)c2snnc2CC)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072351908 556922712 /nfs/dbraw/zinc/92/27/12/556922712.db2.gz WIPDUVSBSNHAGT-NRFANRHFSA-N 0 0 449.580 3.468 40 0 IGABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(Cl)cc3)sc2=N1 ZINC000409039480 556928135 /nfs/dbraw/zinc/92/81/35/556928135.db2.gz GSAKNLVEADGQGU-MTGKDYNDSA-N 0 0 438.936 3.452 40 0 IGABRN CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(C)c(OC)c3)sc2=N1 ZINC000409036780 556928748 /nfs/dbraw/zinc/92/87/48/556928748.db2.gz BLCUFUCLNBKFCB-VOSMRYOYSA-N 0 0 448.544 3.115 40 0 IGABRN O=C(Nc1nccs1)c1cccc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000072357447 556931318 /nfs/dbraw/zinc/93/13/18/556931318.db2.gz GFEKRNMZFPYISC-HNNXBMFYSA-N 0 0 428.539 3.359 40 0 IGABRN CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)OC)=C(CC)N=2 ZINC000409049264 556932131 /nfs/dbraw/zinc/93/21/31/556932131.db2.gz YPYHKUBHZOESPM-QDUHJBTASA-N 0 0 448.544 3.197 40 0 IGABRN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1cnn(C)c1C ZINC000072370359 556934721 /nfs/dbraw/zinc/93/47/21/556934721.db2.gz OEHICYOKNBIIGF-MRXNPFEDSA-N 0 0 440.569 3.167 40 0 IGABRN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC000072370572 556935464 /nfs/dbraw/zinc/93/54/64/556935464.db2.gz RMOPOOWWWFBCHM-MRXNPFEDSA-N 0 0 440.573 3.040 40 0 IGABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000019868808 556935444 /nfs/dbraw/zinc/93/54/44/556935444.db2.gz MWIUYFHOFLDJQB-CVEARBPZSA-N 0 0 449.598 3.316 40 0 IGABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)Cn1nc(C)nc1C ZINC000072370626 556935722 /nfs/dbraw/zinc/93/57/22/556935722.db2.gz SBJPSLGCWIRPDG-KRWDZBQOSA-N 0 0 439.585 3.483 40 0 IGABRN CCN(C(=O)CN1CCC([C@H]2CC=CCN(CCOC)C2=O)CC1)c1cccc(C)c1 ZINC000072371080 556937287 /nfs/dbraw/zinc/93/72/87/556937287.db2.gz YHQRUXFNHYGETJ-HSZRJFAPSA-N 0 0 427.589 3.111 40 0 IGABRN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)CN4Cc5ccccc5C4)C3)[nH]n2)cc1 ZINC000072371504 556938925 /nfs/dbraw/zinc/93/89/25/556938925.db2.gz GUXNSIDVMBOJLU-NRFANRHFSA-N 0 0 446.551 3.372 40 0 IGABRN Cn1cc(C(=O)N2CCC([C@@]3(C)CCCCN(Cc4ccccc4)C3=O)CC2)ccc1=O ZINC000072372019 556941646 /nfs/dbraw/zinc/94/16/46/556941646.db2.gz 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569462749 /nfs/dbraw/zinc/46/27/49/569462749.db2.gz FIUGWXWJVOWRAD-UHFFFAOYSA-N 0 0 430.390 3.480 40 0 IGABRN COc1ccccc1C(=O)NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1 ZINC000032126644 569584876 /nfs/dbraw/zinc/58/48/76/569584876.db2.gz MVYAWZMPHNGVGG-UHFFFAOYSA-N 0 0 428.539 3.268 40 0 IGABRN CCNC(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)C1(C)C ZINC000067890169 291355201 /nfs/dbraw/zinc/35/52/01/291355201.db2.gz PLXJFKXILWDULN-GCJKJVERSA-N 0 0 425.577 3.273 40 0 biogenic,in-vitro IGABRN CN1CCN(c2ccc(-c3noc([C@@H]4CCCN4Cc4ccc(F)c(F)c4)n3)cn2)CC1 ZINC000049155111 291356105 /nfs/dbraw/zinc/35/61/05/291356105.db2.gz CHSSEUOGACRXAZ-FQEVSTJZSA-N 0 0 440.498 3.499 40 0 biogenic,in-vitro IGABRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4cccs4)c(=O)n2C3)cc1 ZINC000004237165 291358914 /nfs/dbraw/zinc/35/89/14/291358914.db2.gz XQSAWRCDTNVWPE-JKSUJKDBSA-N 0 0 442.562 3.393 40 0 biogenic,in-vitro IGABRN COc1cc(SC)ccc1C(=O)N[C@H]1CCN2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2C1 ZINC000003840382 291357566 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521468995 /nfs/dbraw/zinc/46/89/95/521468995.db2.gz YFQFPTRNUNRAFD-UHFFFAOYSA-N 0 0 444.597 3.376 40 0 IGABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)c1C ZINC000020459709 521543953 /nfs/dbraw/zinc/54/39/53/521543953.db2.gz LUENLGISIZMOOL-UHFFFAOYSA-N 0 0 430.526 3.350 40 0 IGABRN CCc1ccccc1N(CC(=O)N[C@H](CC)c1ccc(OC)c(OC)c1)S(C)(=O)=O ZINC000022330077 521850939 /nfs/dbraw/zinc/85/09/39/521850939.db2.gz WLPVNJJUXLVWIK-GOSISDBHSA-N 0 0 434.558 3.300 40 0 IGABRN CNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cc2ccc(OC)cc2[nH]c1=O ZINC000035313770 521931109 /nfs/dbraw/zinc/93/11/09/521931109.db2.gz VLKYRNWEULXYEI-OAQYLSRUSA-N 0 0 439.537 3.006 40 0 IGABRN CC[C@@H](NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc(OC)c(OC)c1 ZINC000022328584 522682405 /nfs/dbraw/zinc/68/24/05/522682405.db2.gz MNISEKFCEGPSBZ-GOSISDBHSA-N 0 0 434.558 3.354 40 0 IGABRN CC[C@@H](NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022334425 522682447 /nfs/dbraw/zinc/68/24/47/522682447.db2.gz NFUDXABYYYXFOO-LJQANCHMSA-N 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556717121 /nfs/dbraw/zinc/71/71/21/556717121.db2.gz RJMPIAJMGJZHNA-UHFFFAOYSA-N 0 0 436.552 3.440 40 0 IGABRN COc1cccc2[nH]c(C(=O)N3CCNC(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)cc21 ZINC000257304482 556717829 /nfs/dbraw/zinc/71/78/29/556717829.db2.gz SLWTVVQMDBHHQW-HSZRJFAPSA-N 0 0 440.503 3.422 40 0 IGABRN Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)[C@@H]4CCCO4)CCO3)cc2)c1 ZINC000019235352 556719689 /nfs/dbraw/zinc/71/96/89/556719689.db2.gz LNEMTHGTTKNIKB-OZXSUGGESA-N 0 0 436.552 3.069 40 0 IGABRN Cc1ccccc1CC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C(C)C)CC4)CC1 ZINC000019237040 556721870 /nfs/dbraw/zinc/72/18/70/556721870.db2.gz HIBCFOABQYWNPF-UHFFFAOYSA-N 0 0 447.583 3.459 40 0 IGABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)CCn2nccc2C)CCNC1=O ZINC000019238470 556723432 /nfs/dbraw/zinc/72/34/32/556723432.db2.gz SNGQDSHSERTHKH-OAQYLSRUSA-N 0 0 446.551 3.075 40 0 IGABRN COc1cccc(CC(=O)N2CCC[C@H]2c2c(-c3ccnc(N4CCCC4)n3)cnn2C)c1 ZINC000019288607 556728848 /nfs/dbraw/zinc/72/88/48/556728848.db2.gz LKVFXXCFGHLQAL-QFIPXVFZSA-N 0 0 446.555 3.392 40 0 IGABRN COCCN(C(=O)c1cc(=O)c2ccccc2o1)c1nc2c(s1)CCc1c-2cnn1C ZINC000019289593 556729458 /nfs/dbraw/zinc/72/94/58/556729458.db2.gz MERMQQMQYQQTNH-UHFFFAOYSA-N 0 0 436.493 3.042 40 0 IGABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 ZINC000019290126 556729899 /nfs/dbraw/zinc/72/98/99/556729899.db2.gz CVOYBDMTVJZWJT-OALUTQOASA-N 0 0 438.576 3.143 40 0 IGABRN COc1ccccc1CC(=O)N1CCC[C@H]1c1nn(C)cc1-c1ccnc(N2CCCC2)n1 ZINC000019290223 556730330 /nfs/dbraw/zinc/73/03/30/556730330.db2.gz LOIQXNIAQKRBHC-NRFANRHFSA-N 0 0 446.555 3.392 40 0 IGABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)cc12 ZINC000000878631 556730591 /nfs/dbraw/zinc/73/05/91/556730591.db2.gz DROVHDLHGJVPNH-OALUTQOASA-N 0 0 429.586 3.179 40 0 IGABRN CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccn(C)n2)C1 ZINC000019290904 556731107 /nfs/dbraw/zinc/73/11/07/556731107.db2.gz HQJOWZJDTVJLIC-VWLOTQADSA-N 0 0 431.540 3.035 40 0 IGABRN Cc1cc(C)c2cc(CN(CCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 ZINC000000880482 556731866 /nfs/dbraw/zinc/73/18/66/556731866.db2.gz SSPIVWKGOMYBBJ-UHFFFAOYSA-N 0 0 440.588 3.321 40 0 IGABRN O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019293136 556732899 /nfs/dbraw/zinc/73/28/99/556732899.db2.gz PMHRGQDKWVCCSJ-NSHDSACASA-N 0 0 440.312 3.402 40 0 IGABRN O=C(c1cnccn1)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(F)c3)c2C1 ZINC000019294017 556733556 /nfs/dbraw/zinc/73/35/56/556733556.db2.gz QEZMSQBMAUIZFS-UHFFFAOYSA-N 0 0 427.443 3.410 40 0 IGABRN CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000019310267 556735361 /nfs/dbraw/zinc/73/53/61/556735361.db2.gz RTFQNRSLRBTQIX-QGZVFWFLSA-N 0 0 443.569 3.178 40 0 IGABRN O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 ZINC000019339541 556739886 /nfs/dbraw/zinc/73/98/86/556739886.db2.gz BSQUFRWTQGSEAA-FQEVSTJZSA-N 0 0 435.572 3.010 40 0 IGABRN CCc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1 ZINC000000914183 556745547 /nfs/dbraw/zinc/74/55/47/556745547.db2.gz UVDFDXACSUBGML-UHFFFAOYSA-N 0 0 428.554 3.199 40 0 IGABRN O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C(=O)c3cc[nH]c(=O)c3)CC[C@@H]21 ZINC000019368975 556746900 /nfs/dbraw/zinc/74/69/00/556746900.db2.gz LFBBFIKWAWQMKJ-ACRUOGEOSA-N 0 0 433.533 3.207 40 0 IGABRN O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCC1)CC2 ZINC000019370236 556747775 /nfs/dbraw/zinc/74/77/75/556747775.db2.gz LSQATXGCXBMBED-QFIPXVFZSA-N 0 0 448.567 3.141 40 0 IGABRN O=C(C[C@H]1NC(=O)c2ccccc21)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019375051 556751160 /nfs/dbraw/zinc/75/11/60/556751160.db2.gz PIFHWQPPVLRFGU-PIBDYAPNSA-N 0 0 435.499 3.055 40 0 IGABRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000000924247 556752067 /nfs/dbraw/zinc/75/20/67/556752067.db2.gz DYOAYPFXJRLXAT-UHFFFAOYSA-N 0 0 443.550 3.484 40 0 IGABRN CCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c(NC(=O)CC)c2)cc1 ZINC000000928683 556754756 /nfs/dbraw/zinc/75/47/56/556754756.db2.gz GPOIAJGVDGTBNV-UHFFFAOYSA-N 0 0 440.529 3.449 40 0 IGABRN CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)NCCc1ccccc1 ZINC000000929233 556754951 /nfs/dbraw/zinc/75/49/51/556754951.db2.gz ZCMOMWTWFWZVBD-UHFFFAOYSA-N 0 0 426.542 3.337 40 0 IGABRN CC(C)[N@@H+]1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccc(F)cc5)C4)[n-]n3c(=O)c2C1 ZINC000019448081 556757132 /nfs/dbraw/zinc/75/71/32/556757132.db2.gz HBPMHYNRBCXIDE-QGZVFWFLSA-N 0 0 437.519 3.360 40 0 IGABRN CC(C)NC(=O)[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019449975 556760782 /nfs/dbraw/zinc/76/07/82/556760782.db2.gz CKRAHTXXWUKUGZ-RTBURBONSA-N 0 0 447.539 3.203 40 0 IGABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)Cn2cccnc2=O)C1 ZINC000019452042 556762945 /nfs/dbraw/zinc/76/29/45/556762945.db2.gz JVTIAMOWBZYBTC-ZDUSSCGKSA-N 0 0 449.433 3.328 40 0 IGABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC(=O)OC2(C)C)C1 ZINC000019460397 556767410 /nfs/dbraw/zinc/76/74/10/556767410.db2.gz WYKDFJIJRQJAJG-UUOWRZLLSA-N 0 0 440.565 3.264 40 0 IGABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC(=O)OC2(C)C)C1 ZINC000019460399 556767422 /nfs/dbraw/zinc/76/74/22/556767422.db2.gz WYKDFJIJRQJAJG-HOYKHHGWSA-N 0 0 440.565 3.264 40 0 IGABRN CSCC[C@H](NC(=O)c1noc2c1C[C@@H](C)CC2)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019497148 556769545 /nfs/dbraw/zinc/76/95/45/556769545.db2.gz HXHBMTXWDCEGOA-ZFWWWQNUSA-N 0 0 439.541 3.169 40 0 IGABRN Cc1ccc(C)c(Cn2nnc3c2nc(C2CCN(C(=O)CC(C)(C)C)CC2)[nH]c3=O)c1 ZINC000001324524 556770743 /nfs/dbraw/zinc/77/07/43/556770743.db2.gz DYIUKDANDCKSCU-UHFFFAOYSA-N 0 0 436.560 3.322 40 0 IGABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3S(=O)(=O)c3cnn(CC)c3)cc2N1 ZINC000019500898 556772638 /nfs/dbraw/zinc/77/26/38/556772638.db2.gz WGBQUOWLJOKSQW-UHOFOFEASA-N 0 0 446.499 3.323 40 0 IGABRN CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[nH]c2=O)C1 ZINC000019501652 556773057 /nfs/dbraw/zinc/77/30/57/556773057.db2.gz XLYOBQSPCHTZIX-NRFANRHFSA-N 0 0 436.556 3.059 40 0 IGABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccc(C)cc4)C2)[nH]c3=O)cc1 ZINC000001334376 556775824 /nfs/dbraw/zinc/77/58/24/556775824.db2.gz IYMXGRJVJVCULU-HXUWFJFHSA-N 0 0 442.523 3.200 40 0 IGABRN O=C(C1CCCC1)N1CCC(c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000001355306 556782265 /nfs/dbraw/zinc/78/22/65/556782265.db2.gz PKPATBLDLLVVIG-UHFFFAOYSA-N 0 0 440.935 3.113 40 0 IGABRN CCN(CC)c1ncc2c(cc(C3CCN(C(=O)c4cccc(OC)c4)CC3)[nH]c2=O)n1 ZINC000019526536 556784999 /nfs/dbraw/zinc/78/49/99/556784999.db2.gz ZUSWIGUZJKLJOA-UHFFFAOYSA-N 0 0 435.528 3.193 40 0 IGABRN CCN1CCN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000019527355 556785672 /nfs/dbraw/zinc/78/56/72/556785672.db2.gz HOSNWZCLYYDZQW-FQEVSTJZSA-N 0 0 434.515 3.389 40 0 IGABRN CCN1CCN(C(=O)[C@H](C)N2CCCC2=O)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O ZINC000019527477 556786088 /nfs/dbraw/zinc/78/60/88/556786088.db2.gz PAHKNKHEFBTOHM-GBXCKJPGSA-N 0 0 447.579 3.214 40 0 IGABRN CCN1CCN(C(=O)[C@@H](C)N2CCCC2=O)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O ZINC000019527478 556786149 /nfs/dbraw/zinc/78/61/49/556786149.db2.gz PAHKNKHEFBTOHM-YKSBVNFPSA-N 0 0 447.579 3.214 40 0 IGABRN CCN1CCN(C(=O)Cn2cc(C)nn2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000019527602 556786263 /nfs/dbraw/zinc/78/62/63/556786263.db2.gz FQBSBXRQJSEHMU-HSZRJFAPSA-N 0 0 445.567 3.112 40 0 IGABRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC000001359771 556786612 /nfs/dbraw/zinc/78/66/12/556786612.db2.gz COVOETAAOSXENI-INIZCTEOSA-N 0 0 444.488 3.402 40 0 IGABRN Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccc1F)C[C@H]1CCCO1)C(=O)[C@@H](C)O2 ZINC000001362251 556788156 /nfs/dbraw/zinc/78/81/56/556788156.db2.gz NDMGIQOKBNCROZ-IEBWSBKVSA-N 0 0 426.488 3.456 40 0 IGABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccnn2C)C1 ZINC000019528707 556788960 /nfs/dbraw/zinc/78/89/60/556788960.db2.gz PLIOIMXDHFUAKE-VWLOTQADSA-N 0 0 431.540 3.083 40 0 IGABRN Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc5c(c4)OCCO5)C3)n2)cc1 ZINC000001363176 556788980 /nfs/dbraw/zinc/78/89/80/556788980.db2.gz IRZYMCJMDPCBNU-KRWDZBQOSA-N 0 0 441.509 3.385 40 0 IGABRN CCOc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cc1 ZINC000019533555 556793250 /nfs/dbraw/zinc/79/32/50/556793250.db2.gz ZUQWDQIIQWFERJ-IRXDYDNUSA-N 0 0 434.496 3.014 40 0 IGABRN Cc1ccc2c(c1)cc(CN(CCc1ccccc1)C(=O)N1CCOCC1)c1nnnn12 ZINC000001377018 556794191 /nfs/dbraw/zinc/79/41/91/556794191.db2.gz XAKATHKXTZZDQD-UHFFFAOYSA-N 0 0 430.512 3.083 40 0 IGABRN Cc1nn(CC(=O)N2CCO[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c(C)c1C ZINC000019556500 556799001 /nfs/dbraw/zinc/79/90/01/556799001.db2.gz UCRVKTNAWVDXAQ-QGZVFWFLSA-N 0 0 449.433 3.477 40 0 IGABRN Cc1nn(C[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4cc3C(N)=O)C2)c(C)c1C ZINC000019556738 556799301 /nfs/dbraw/zinc/79/93/01/556799301.db2.gz FKEIEZRJAJSOPU-YWZLYKJASA-N 0 0 433.556 3.498 40 0 IGABRN COc1ccc([C@H]2N(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CCC[C@]23CCC(=O)N3)cc1 ZINC000019557359 556799833 /nfs/dbraw/zinc/79/98/33/556799833.db2.gz 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ZINC000019698198 556856240 /nfs/dbraw/zinc/85/62/40/556856240.db2.gz SEAARASYPVGJGD-NRFANRHFSA-N 0 0 431.540 3.288 40 0 IGABRN Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c(C(N)=O)[nH]2)C1 ZINC000019698826 556857948 /nfs/dbraw/zinc/85/79/48/556857948.db2.gz OSOVPJZAHGTPHS-SFHVURJKSA-N 0 0 442.523 3.240 40 0 IGABRN CNC(=O)c1ccc(-c2ccc(CNS(=O)(=O)c3cc(C)ccc3OC)cc2)nc1C ZINC000019700566 556859963 /nfs/dbraw/zinc/85/99/63/556859963.db2.gz PTYUAHQVHRQVSR-UHFFFAOYSA-N 0 0 439.537 3.212 40 0 IGABRN CNCc1nc(C)c2c(n1)N(CCc1cn(Cc3cccnc3)c3ccccc13)C(=O)CC2 ZINC000019703736 556862079 /nfs/dbraw/zinc/86/20/79/556862079.db2.gz UUVPBPKZHQNXAC-UHFFFAOYSA-N 0 0 440.551 3.424 40 0 IGABRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408813543 556864981 /nfs/dbraw/zinc/86/49/81/556864981.db2.gz XVKJQQUPIDHCBB-XGHXRCDJSA-N 0 0 442.537 3.307 40 0 IGABRN CC(C)(C)OC(=O)N1CCn2c(nnc2[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)C1 ZINC000019707213 556866629 /nfs/dbraw/zinc/86/66/29/556866629.db2.gz 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IGABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)CN2CCCC2=O)n1 ZINC000019687432 556842290 /nfs/dbraw/zinc/84/22/90/556842290.db2.gz LBSCMOOIKDNAMP-GOSISDBHSA-N 0 0 427.936 3.149 40 0 IGABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)CN2CCCC2=O)n1 ZINC000019687430 556842319 /nfs/dbraw/zinc/84/23/19/556842319.db2.gz LBSCMOOIKDNAMP-SFHVURJKSA-N 0 0 427.936 3.149 40 0 IGABRN COc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1 ZINC000008678173 556844262 /nfs/dbraw/zinc/84/42/62/556844262.db2.gz VRZIPAOFUGEZJR-UHFFFAOYSA-N 0 0 446.507 3.159 40 0 IGABRN Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)COCCN4CCCC4=O)C3)nc2)c1 ZINC000019690349 556846137 /nfs/dbraw/zinc/84/61/37/556846137.db2.gz FLKNBETWUZQSBE-HSZRJFAPSA-N 0 0 435.568 3.326 40 0 IGABRN O=c1[nH]c2ccc(S(=O)(=O)N3CCC(c4ccc(Cc5ccccc5)cn4)CC3)cc2[nH]1 ZINC000019690525 556846523 /nfs/dbraw/zinc/84/65/23/556846523.db2.gz IKJJGMQNACUXMC-UHFFFAOYSA-N 0 0 448.548 3.410 40 0 IGABRN C=C1c2cc(OC)c(OC)cc2C[C@H]2N1C(=O)[C@@H](CC(C)C)N1C(=O)c3ccccc3[C@]21O 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CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)c1oc3ccccc3c1C)C2 ZINC000019708883 556870758 /nfs/dbraw/zinc/87/07/58/556870758.db2.gz LSOSMKXKENCRJN-KRWDZBQOSA-N 0 0 447.539 3.497 40 0 IGABRN CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2C(=O)c2cc3ccc(F)cc3[nH]2)n1 ZINC000019709826 556871427 /nfs/dbraw/zinc/87/14/27/556871427.db2.gz NZEGQBSHWFVCBQ-HXUWFJFHSA-N 0 0 438.507 3.484 40 0 IGABRN COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccc(C(N)=O)c(C)n2)cc1C(C)C ZINC000019711201 556875582 /nfs/dbraw/zinc/87/55/82/556875582.db2.gz QULLFCUEFCAFAL-LJQANCHMSA-N 0 0 431.558 3.455 40 0 IGABRN Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2c1CCC(=O)N2CC1CC1 ZINC000019739465 556878196 /nfs/dbraw/zinc/87/81/96/556878196.db2.gz VZJZVIYQFPKFOJ-SFHVURJKSA-N 0 0 440.569 3.043 40 0 IGABRN Cc1nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000019739584 556878400 /nfs/dbraw/zinc/87/84/00/556878400.db2.gz COUCLHOOBFTTRM-HXUWFJFHSA-N 0 0 436.560 3.355 40 0 IGABRN Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)nc2c1CC(=O)N2CC1CCCCC1 ZINC000019740187 556879840 /nfs/dbraw/zinc/87/98/40/556879840.db2.gz HDNCVJSSHPPKRV-NRFANRHFSA-N 0 0 439.604 3.404 40 0 IGABRN Cc1nc([C@@H]2CCCCN2CC(=O)N2CCCC2)nc2c1CCC(=O)N2Cc1ccccc1 ZINC000019740475 556880564 /nfs/dbraw/zinc/88/05/64/556880564.db2.gz FFNLMVDPUVQWCE-QFIPXVFZSA-N 0 0 447.583 3.414 40 0 IGABRN Cc1nc([C@@H]2CCCCN2C(=O)COC(C)C)nc2c1CCC(=O)N2Cc1ccccn1 ZINC000019741110 556882475 /nfs/dbraw/zinc/88/24/75/556882475.db2.gz REBIUWFCPOKGFP-FQEVSTJZSA-N 0 0 437.544 3.138 40 0 IGABRN Cc1nc([C@@H]2CCCCN2C(=O)CCN(C)c2cccc(F)c2)nc2c1CCC(=O)N2C ZINC000019741122 556882492 /nfs/dbraw/zinc/88/24/92/556882492.db2.gz KHMQNJZMTDERFC-FQEVSTJZSA-N 0 0 439.535 3.413 40 0 IGABRN CC(=O)N1CCC(N2CCC[C@@H]2c2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)CC1 ZINC000019741774 556884693 /nfs/dbraw/zinc/88/46/93/556884693.db2.gz QUAUNXMRLOCBIG-HSZRJFAPSA-N 0 0 447.583 3.412 40 0 IGABRN CCOc1ccc(N([C@H](C)C(=O)NCCSCc2ccccc2)S(C)(=O)=O)cc1 ZINC000408907449 556884966 /nfs/dbraw/zinc/88/49/66/556884966.db2.gz OGPGYRDKYUIMNS-QGZVFWFLSA-N 0 0 436.599 3.289 40 0 IGABRN Cc1nc([C@@H]2CCCN2Cc2ccnn2C)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019741861 556885009 /nfs/dbraw/zinc/88/50/09/556885009.db2.gz CFGBMUNAERIJFO-NRFANRHFSA-N 0 0 434.519 3.474 40 0 IGABRN Nc1n[nH]c2nc([C@@H]3CCCN3S(=O)(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000019742384 556886264 /nfs/dbraw/zinc/88/62/64/556886264.db2.gz LFXHSVOYUWKAQP-AWEZNQCLSA-N 0 0 443.426 3.365 40 0 IGABRN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C(C)(C)C)cc1 ZINC000071861971 556888559 /nfs/dbraw/zinc/88/85/59/556888559.db2.gz YBOMZEOKFIIOFC-KRWDZBQOSA-N 0 0 430.570 3.496 40 0 IGABRN Cc1nc([C@@H]2CCCN(C(=O)Cn3c4ccccc4nc3C(C)C)C2)nc2c1CC(=O)N2C ZINC000019743870 556888838 /nfs/dbraw/zinc/88/88/38/556888838.db2.gz FHBGYXHQJIMVMH-QGZVFWFLSA-N 0 0 446.555 3.183 40 0 IGABRN Cc1nn(C)c2nc(C3CCN(C(=O)[C@@H]4CC(=O)N(c5ccccc5F)C4)CC3)ccc12 ZINC000019744696 556891323 /nfs/dbraw/zinc/89/13/23/556891323.db2.gz OFFDLIZSVYLFSH-QGZVFWFLSA-N 0 0 435.503 3.175 40 0 IGABRN CNc1ncc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)Cc3ccccc3F)CC2)cn1 ZINC000019745745 556891990 /nfs/dbraw/zinc/89/19/90/556891990.db2.gz CCUUZUIPIIIYEL-NRFANRHFSA-N 0 0 439.535 3.133 40 0 IGABRN Cc1cc(NC(=O)Cn2cc(C(=O)N3CCC[C@H]3c3cc(C)ccc3C)ccc2=O)no1 ZINC000019749266 556893496 /nfs/dbraw/zinc/89/34/96/556893496.db2.gz BCUAOXMILXVMQH-FQEVSTJZSA-N 0 0 434.496 3.378 40 0 IGABRN O=C(Cn1cccc(C(=O)NC2CCCCC2)c1=O)NCC1(c2ccccc2Cl)CC1 ZINC000019749991 556894177 /nfs/dbraw/zinc/89/41/77/556894177.db2.gz WVCSPVSLVXXKCO-UHFFFAOYSA-N 0 0 441.959 3.412 40 0 IGABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)Cn1cccc(C(=O)Nc2cc(C)on2)c1=O ZINC000019750567 556894647 /nfs/dbraw/zinc/89/46/47/556894647.db2.gz CJQBTTKAFPGQJD-GOSISDBHSA-N 0 0 426.448 3.146 40 0 IGABRN Cc1noc(CCC(=O)N2CCC[C@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)n1 ZINC000019755250 556898615 /nfs/dbraw/zinc/89/86/15/556898615.db2.gz ZOQUSFVCDACJMO-SFHVURJKSA-N 0 0 438.463 3.164 40 0 IGABRN COCCOc1ccc(C(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCCC3)c(C)n2)cc1 ZINC000019755970 556899450 /nfs/dbraw/zinc/89/94/50/556899450.db2.gz NAOITXAYQOMFRQ-OAQYLSRUSA-N 0 0 438.528 3.024 40 0 IGABRN Cc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2F)ncc1C(=O)N1CCCCC1 ZINC000019756235 556899808 /nfs/dbraw/zinc/89/98/08/556899808.db2.gz UIJPKHDFBPLPGB-IBGZPJMESA-N 0 0 444.482 3.432 40 0 IGABRN COc1cc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(C)=O)ccc1OCc1ccccc1 ZINC000036370343 556902004 /nfs/dbraw/zinc/90/20/04/556902004.db2.gz LVGMWIKGKRCHPM-NLWGTHIKSA-N 0 0 438.402 3.084 40 0 IGABRN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000019759034 556902504 /nfs/dbraw/zinc/90/25/04/556902504.db2.gz KVPZDRVXJBXMOT-UHFFFAOYSA-N 0 0 433.512 3.171 40 0 IGABRN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(C(=O)c1cncc(O)c1)CC3)c1cccn1-2 ZINC000072327312 556903887 /nfs/dbraw/zinc/90/38/87/556903887.db2.gz DSTROBHGNHEPAH-VWLOTQADSA-N 0 0 446.507 3.303 40 0 IGABRN COc1ccc(CC(=O)N2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1C ZINC000019762144 556906217 /nfs/dbraw/zinc/90/62/17/556906217.db2.gz RUXUQYQTPXJZNN-DEOSSOPVSA-N 0 0 447.535 3.396 40 0 IGABRN CN(C)C(=O)[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)C[C@@]12COc1ccccc1C(=O)N2 ZINC000072334335 556906891 /nfs/dbraw/zinc/90/68/91/556906891.db2.gz WNDOKXBJPKALHU-OPAMFIHVSA-N 0 0 448.350 3.075 40 0 IGABRN Cc1nc([C@@H]2CCCN(C(=O)CCn3c4ccccc4nc3C(C)C)C2)ncc1C(N)=O ZINC000019763736 556908471 /nfs/dbraw/zinc/90/84/71/556908471.db2.gz XQHONNIOYVNMRF-QGZVFWFLSA-N 0 0 434.544 3.153 40 0 IGABRN COc1ccccc1NC(=O)c1cnc(C2CCN(C(=O)c3c[nH]nc3C)CC2)nc1C ZINC000019764163 556908692 /nfs/dbraw/zinc/90/86/92/556908692.db2.gz ANJNZIJMLQQTKE-UHFFFAOYSA-N 0 0 434.500 3.097 40 0 IGABRN Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000072336799 556909514 /nfs/dbraw/zinc/90/95/14/556909514.db2.gz AVDUGDVKKQRZKN-UHFFFAOYSA-N 0 0 426.524 3.252 40 0 IGABRN Nc1nc(C2CCN(C(=O)c3ccccn3)CC2)ccc1C(=O)NCc1ccccc1F ZINC000019765828 556910709 /nfs/dbraw/zinc/91/07/09/556910709.db2.gz RJFBTUSLGSJBSB-UHFFFAOYSA-N 0 0 433.487 3.148 40 0 IGABRN CC(C)[C@H](CC(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1)c1ccco1 ZINC000072338913 556911295 /nfs/dbraw/zinc/91/12/95/556911295.db2.gz NDRVWSYONHVGHU-HTAPYJJXSA-N 0 0 431.558 3.378 40 0 IGABRN COc1ccc(NC(=O)c2cnc(C3CCN(C(=O)c4cccnc4)CC3)nc2C)cc1 ZINC000019766392 556911675 /nfs/dbraw/zinc/91/16/75/556911675.db2.gz KQURXDNQGZTRNB-UHFFFAOYSA-N 0 0 431.496 3.461 40 0 IGABRN Cc1cc(Br)c(NC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)cc1C ZINC000409003639 556917002 /nfs/dbraw/zinc/91/70/02/556917002.db2.gz TYAJPECYAJYCGM-KRWDZBQOSA-N 0 0 448.317 3.175 40 0 IGABRN COc1ccc(CN2CCc3c(=O)[nH]c(N4CCC[C@H](C)C4)nc3C2)cc1Cn1cccn1 ZINC000072347348 556918616 /nfs/dbraw/zinc/91/86/16/556918616.db2.gz HAHRBECOQPAEBO-SFHVURJKSA-N 0 0 448.571 3.230 40 0 IGABRN COc1ccc(-c2cccc([C@H]3CCCN(S(=O)(=O)c4cn(C)nc4C)C3)n2)cc1 ZINC000072350143 556920141 /nfs/dbraw/zinc/92/01/41/556920141.db2.gz XTFWZAXMRYOSTR-SFHVURJKSA-N 0 0 426.542 3.367 40 0 IGABRN Cc1cccc(-c2ccccc2C[C@H]2C(=O)NCCN2C(=O)c2cnc(N(C)C)nc2C)c1 ZINC000072351614 556921630 /nfs/dbraw/zinc/92/16/30/556921630.db2.gz QCLKCVOZLDJPAP-QHCPKHFHSA-N 0 0 443.551 3.010 40 0 IGABRN CCCN1CCN(C(=O)c2ccnc(OC)c2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351575 556921653 /nfs/dbraw/zinc/92/16/53/556921653.db2.gz XSJZUCPMSCYVFZ-HSZRJFAPSA-N 0 0 444.535 3.458 40 0 IGABRN Cc1cc(C)n(CCCC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccccc2-c2cccnc2)n1 ZINC000072351543 556921702 /nfs/dbraw/zinc/92/17/02/556921702.db2.gz IKCKCHVPQLRQTH-DEOSSOPVSA-N 0 0 445.567 3.254 40 0 IGABRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)C[C@H]1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000019819144 556922038 /nfs/dbraw/zinc/92/20/38/556922038.db2.gz ABSVYQPWBFWBQY-LJQANCHMSA-N 0 0 439.443 3.223 40 0 IGABRN CCCN1CCN(Cc2cnc(OC)nc2)[C@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072351753 556922055 /nfs/dbraw/zinc/92/20/55/556922055.db2.gz BZCXDYXGYKFYOI-HSZRJFAPSA-N 0 0 431.540 3.213 40 0 IGABRN CCN1CCN(C(=O)Cn2nc(C)c(C)c2C)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O ZINC000072351693 556922104 /nfs/dbraw/zinc/92/21/04/556922104.db2.gz PGMRCZYPHKRMKM-XMMPIXPASA-N 0 0 445.567 3.172 40 0 IGABRN COc1cccc(O[C@@H](C)C(=O)N2CCNC(=O)[C@@H]2Cc2ccc(-c3ccncc3)cc2)c1 ZINC000072351821 556922487 /nfs/dbraw/zinc/92/24/87/556922487.db2.gz KJOMHMIFHWHIOK-UUOWRZLLSA-N 0 0 445.519 3.094 40 0 IGABRN CCN(CC)C(=O)CN1CC[C@H](c2c3ccccc3sc2C(=O)N2CCOCC2)C1 ZINC000072352362 556923926 /nfs/dbraw/zinc/92/39/26/556923926.db2.gz LBTDWFKIBFFTHS-KRWDZBQOSA-N 0 0 429.586 3.031 40 0 IGABRN COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000409027680 556926703 /nfs/dbraw/zinc/92/67/03/556926703.db2.gz DKZSBIFAXBBFHR-UHFFFAOYSA-N 0 0 431.297 3.185 40 0 IGABRN CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1 ZINC000409030036 556926963 /nfs/dbraw/zinc/92/69/63/556926963.db2.gz BUDJHVZZDBCJIT-MNJKBJKMSA-N 0 0 448.544 3.197 40 0 IGABRN Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072354252 556929652 /nfs/dbraw/zinc/92/96/52/556929652.db2.gz GGUYNKZASHEULC-LJQANCHMSA-N 0 0 428.533 3.422 40 0 IGABRN Cc1nnsc1C(=O)N1CCC([C@H]2CCCCN2C(=O)Cc2ccccc2F)CC1 ZINC000072354285 556929843 /nfs/dbraw/zinc/92/98/43/556929843.db2.gz ZTFSOTAHGIXZEI-LJQANCHMSA-N 0 0 430.549 3.462 40 0 IGABRN CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(Br)o2)C1=O ZINC000409049098 556932040 /nfs/dbraw/zinc/93/20/40/556932040.db2.gz WFVIEHKOKPBDBN-XBXARRHUSA-N 0 0 439.081 3.404 40 0 IGABRN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860239 556932698 /nfs/dbraw/zinc/93/26/98/556932698.db2.gz JLMUDYNSWPBHLL-OAHLLOKOSA-N 0 0 436.917 3.249 40 0 IGABRN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000019860240 556932705 /nfs/dbraw/zinc/93/27/05/556932705.db2.gz JLMUDYNSWPBHLL-HNNXBMFYSA-N 0 0 436.917 3.249 40 0 IGABRN CCCC(=O)N1CC[C@@H](c2cc3nc(C)c(CCC(=O)NC4CCCC4)c(C)n3n2)C1 ZINC000072369602 556933508 /nfs/dbraw/zinc/93/35/08/556933508.db2.gz ULDZHHZEQBEXNN-GOSISDBHSA-N 0 0 425.577 3.454 40 0 IGABRN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1cc(-c2cnn(C)c2)on1 ZINC000072370377 556934648 /nfs/dbraw/zinc/93/46/48/556934648.db2.gz BZWVDZMMZQOMMZ-HNNXBMFYSA-N 0 0 449.536 3.497 40 0 IGABRN COCC(=O)N1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N1CCOCC1 ZINC000072370665 556935972 /nfs/dbraw/zinc/93/59/72/556935972.db2.gz CNAFJHDEMNCRPN-QGZVFWFLSA-N 0 0 430.570 3.334 40 0 IGABRN Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000072371777 556940807 /nfs/dbraw/zinc/94/08/07/556940807.db2.gz DUKQWPUDTBNISZ-HNNXBMFYSA-N 0 0 449.964 3.203 40 0 IGABRN Cc1nnsc1C(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371879 556941140 /nfs/dbraw/zinc/94/11/40/556941140.db2.gz IRVCRKTWSMYIJF-GOSISDBHSA-N 0 0 448.552 3.402 40 0 IGABRN Cc1nccn1CCC(=O)N1CCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2Cc1ccccc1 ZINC000072371914 556941373 /nfs/dbraw/zinc/94/13/73/556941373.db2.gz IPLVSDKXHUYWBJ-NRFANRHFSA-N 0 0 444.539 3.133 40 0 IGABRN Cc1nc(C2CCN(C(=O)[C@H]3CCCO3)CC2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000072371957 556941640 /nfs/dbraw/zinc/94/16/40/556941640.db2.gz MBHPMQSEPLCHCB-JOCHJYFZSA-N 0 0 448.567 3.192 40 0 IGABRN CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)N(CC(=O)OC)C2=S)cc1 ZINC000409070874 556945307 /nfs/dbraw/zinc/94/53/07/556945307.db2.gz NLSJQOHJVRZLQE-AQTBWJFISA-N 0 0 440.521 3.414 40 0 IGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccc(Br)cc2)cc1 ZINC000409071061 556945372 /nfs/dbraw/zinc/94/53/72/556945372.db2.gz OEXMMUQMZDBRQB-UHFFFAOYSA-N 0 0 439.375 3.473 40 0 IGABRN Nc1ncc(-c2ccc([C@@H]3CCCN(CC(=O)N4CCCc5ccccc54)C3)nc2)cn1 ZINC000072374119 556947138 /nfs/dbraw/zinc/94/71/38/556947138.db2.gz KIKDXTPOAMSHAD-HXUWFJFHSA-N 0 0 428.540 3.280 40 0 IGABRN COc1ccccc1[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000019931102 556948515 /nfs/dbraw/zinc/94/85/15/556948515.db2.gz JVRMPTMRAXSPOS-GCJKJVERSA-N 0 0 438.549 3.462 40 0 IGABRN COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc(I)c1O ZINC000409085177 556948602 /nfs/dbraw/zinc/94/86/02/556948602.db2.gz WSFUPBGUALXWHY-JYRVWZFOSA-N 0 0 442.253 3.231 40 0 IGABRN COc1ccc([C@@H](CC(=O)NCc2ccccn2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019935853 556950920 /nfs/dbraw/zinc/95/09/20/556950920.db2.gz PFSHETDHQUKNGH-JOCHJYFZSA-N 0 0 439.537 3.159 40 0 IGABRN CCc1nnc(Nc2cccc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)n2)s1 ZINC000072376091 556953788 /nfs/dbraw/zinc/95/37/88/556953788.db2.gz DWVYKPXNBQPMDL-CQSZACIVSA-N 0 0 448.574 3.412 40 0 IGABRN Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1 ZINC000072376462 556954826 /nfs/dbraw/zinc/95/48/26/556954826.db2.gz SCCOGUJRELNTHR-FQEVSTJZSA-N 0 0 438.557 3.336 40 0 IGABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)n1 ZINC000072377107 556955705 /nfs/dbraw/zinc/95/57/05/556955705.db2.gz NAVJRBRDXWNXBL-INIZCTEOSA-N 0 0 444.417 3.195 40 0 IGABRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)c(Br)cc1OC ZINC000409103188 556956591 /nfs/dbraw/zinc/95/65/91/556956591.db2.gz XIUKQKWCHCMEOT-CULDGANSSA-N 0 0 444.303 3.454 40 0 IGABRN CCN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000020014673 556961598 /nfs/dbraw/zinc/96/15/98/556961598.db2.gz TYYUKKUYERIXQH-UHFFFAOYSA-N 0 0 433.274 3.377 40 0 IGABRN CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000409121276 556961611 /nfs/dbraw/zinc/96/16/11/556961611.db2.gz YUQVQRUEQUXTSV-UHFFFAOYSA-N 0 0 442.368 3.108 40 0 IGABRN C[C@H](NC(=O)CN(Cc1ccc(F)cc1)S(C)(=O)=O)c1ccc(Br)cc1 ZINC000020015331 556961745 /nfs/dbraw/zinc/96/17/45/556961745.db2.gz RAKGCPIKKVFMNS-ZDUSSCGKSA-N 0 0 443.338 3.227 40 0 IGABRN COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020015667 556962021 /nfs/dbraw/zinc/96/20/21/556962021.db2.gz OCWINXVVYZIUQH-LBPRGKRZSA-N 0 0 431.341 3.500 40 0 IGABRN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000020017437 556962930 /nfs/dbraw/zinc/96/29/30/556962930.db2.gz AUGBKJLCXCCPHE-OAHLLOKOSA-N 0 0 440.924 3.205 40 0 IGABRN CC(=O)Nc1ncc(S(=O)(=O)N2CCc3nc(-c4cccc(F)c4)sc3C2)s1 ZINC000072392025 556962952 /nfs/dbraw/zinc/96/29/52/556962952.db2.gz PJZOHXIWXGIACG-UHFFFAOYSA-N 0 0 438.531 3.111 40 0 IGABRN COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000020017717 556963199 /nfs/dbraw/zinc/96/31/99/556963199.db2.gz QEUAQJQBBLEWTB-LBPRGKRZSA-N 0 0 428.432 3.152 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccccc3OC)CC2)cc1C ZINC000020018167 556963337 /nfs/dbraw/zinc/96/33/37/556963337.db2.gz YZTYZFUFPSRORM-QGZVFWFLSA-N 0 0 446.569 3.290 40 0 IGABRN O=C([C@@H]1CC(c2ccccc2)=NO1)N1CCC[C@H](c2cc(C(F)(F)F)n3ncnc3n2)C1 ZINC000072393695 556965127 /nfs/dbraw/zinc/96/51/27/556965127.db2.gz DTPWXGOXIMAYFS-YOEHRIQHSA-N 0 0 444.417 3.042 40 0 IGABRN COc1ccc([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC ZINC000020023604 556966064 /nfs/dbraw/zinc/96/60/64/556966064.db2.gz YEGDACFVTMWAOH-MRXNPFEDSA-N 0 0 434.558 3.201 40 0 IGABRN C[C@@H](Oc1ccccc1F)C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 ZINC000072395626 556967493 /nfs/dbraw/zinc/96/74/93/556967493.db2.gz QHNFVRJLEPWROU-ISTRZQFTSA-N 0 0 441.429 3.411 40 0 IGABRN CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br ZINC000409139120 556971088 /nfs/dbraw/zinc/97/10/88/556971088.db2.gz ACBSCTFVQJLQGN-NTEUORMPSA-N 0 0 444.303 3.074 40 0 IGABRN COc1cc(CNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1OC(C)C ZINC000020046734 556973629 /nfs/dbraw/zinc/97/36/29/556973629.db2.gz WSOWNGRFSSQQGV-UHFFFAOYSA-N 0 0 426.922 3.437 40 0 IGABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC ZINC000020048062 556974189 /nfs/dbraw/zinc/97/41/89/556974189.db2.gz IUHMQOGSRJWSDY-UONOGXRCSA-N 0 0 440.949 3.389 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)COc1cc(C)cc(C)c1C ZINC000020049260 556974471 /nfs/dbraw/zinc/97/44/71/556974471.db2.gz PALQVIOTQMSQHT-UHFFFAOYSA-N 0 0 432.542 3.422 40 0 IGABRN CCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C ZINC000020061470 556975783 /nfs/dbraw/zinc/97/57/83/556975783.db2.gz NUCZEUCBBKWBGS-UHFFFAOYSA-N 0 0 429.542 3.172 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000020061802 556976330 /nfs/dbraw/zinc/97/63/30/556976330.db2.gz FMFKWTPUPLJJQB-UHFFFAOYSA-N 0 0 430.526 3.074 40 0 IGABRN O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409145248 556976774 /nfs/dbraw/zinc/97/67/74/556976774.db2.gz NQHNJVZJLCITRD-UHFFFAOYSA-N 0 0 437.237 3.385 40 0 IGABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000409156794 556979923 /nfs/dbraw/zinc/97/99/23/556979923.db2.gz TWLGNSAEWXBEMA-QGMBQPNBSA-N 0 0 442.449 3.108 40 0 IGABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C ZINC000409169959 556980725 /nfs/dbraw/zinc/98/07/25/556980725.db2.gz RZLONWDGMMNAPO-UHFFFAOYSA-N 0 0 443.960 3.367 40 0 IGABRN Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3nccs3)n2C)C(C)C)cc1 ZINC000409161715 556980945 /nfs/dbraw/zinc/98/09/45/556980945.db2.gz YUHNLRGMSHVTCZ-MRXNPFEDSA-N 0 0 444.586 3.438 40 0 IGABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000409165423 556982010 /nfs/dbraw/zinc/98/20/10/556982010.db2.gz YCRIEZWETCHXPB-WQRHYEAKSA-N 0 0 425.466 3.329 40 0 IGABRN 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556611677 /nfs/dbraw/zinc/61/16/77/556611677.db2.gz WVDKNKYAZHNKRD-VABKMULXSA-N 0 0 446.459 3.461 40 0 IGABRN C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000016576312 556616137 /nfs/dbraw/zinc/61/61/37/556616137.db2.gz VFRYTBIXLHUJSG-OAHLLOKOSA-N 0 0 439.375 3.207 40 0 IGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CSCc1ccc(F)cc1 ZINC000038755705 556617770 /nfs/dbraw/zinc/61/77/70/556617770.db2.gz WHPDYHJGOATZMD-UHFFFAOYSA-N 0 0 426.535 3.393 40 0 IGABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c32)c(F)c1 ZINC000038828255 556620378 /nfs/dbraw/zinc/62/03/78/556620378.db2.gz WNVNKWIQJOWGFZ-UKRRQHHQSA-N 0 0 447.470 3.365 40 0 IGABRN Cc1ccc(SCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000038836763 556623433 /nfs/dbraw/zinc/62/34/33/556623433.db2.gz WWPWYXSQOYSLSI-GOSISDBHSA-N 0 0 440.974 3.084 40 0 IGABRN CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(Cl)cc2Cl)Oc2ccc(Cl)cc21 ZINC000038848685 556623726 /nfs/dbraw/zinc/62/37/26/556623726.db2.gz ZXMNJDXRYIAOQO-INIZCTEOSA-N 0 0 449.743 3.490 40 0 IGABRN COC(=O)[C@]12C(=O)[C@@](C)(O)C(=O)[C@]1(C)C(C)=C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000514287835 556624415 /nfs/dbraw/zinc/62/44/15/556624415.db2.gz MZEKQPUYJNYRKQ-VBHRNQIKSA-N 0 0 446.584 3.235 40 0 biogenic,in-vitro IGABRN CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Br)cc1 ZINC000016691899 556627381 /nfs/dbraw/zinc/62/73/81/556627381.db2.gz WIOZKTTVSYAZEG-UHFFFAOYSA-N 0 0 427.320 3.107 40 0 IGABRN CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964014 556630981 /nfs/dbraw/zinc/63/09/81/556630981.db2.gz XDHMSHJOGLEKRW-WIYYLYMNSA-N 0 0 432.480 3.334 40 0 IGABRN CC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964013 556631145 /nfs/dbraw/zinc/63/11/45/556631145.db2.gz XDHMSHJOGLEKRW-RXVVDRJESA-N 0 0 432.480 3.334 40 0 IGABRN CCN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000039985396 556631899 /nfs/dbraw/zinc/63/18/99/556631899.db2.gz SCBRTMSBRRPRKD-UHFFFAOYSA-N 0 0 430.570 3.187 40 0 IGABRN CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000039985962 556632347 /nfs/dbraw/zinc/63/23/47/556632347.db2.gz GRYZGMFPJSGGPA-UHFFFAOYSA-N 0 0 426.922 3.315 40 0 IGABRN CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000039986685 556633264 /nfs/dbraw/zinc/63/32/64/556633264.db2.gz WOHOKANSOIJJTJ-UHFFFAOYSA-N 0 0 427.320 3.155 40 0 IGABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[nH]c(=O)c21 ZINC000040388695 556636666 /nfs/dbraw/zinc/63/66/66/556636666.db2.gz JNUMDUJDMBTZAB-TYNCELHUSA-N 0 0 443.935 3.279 40 0 IGABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000040390499 556637455 /nfs/dbraw/zinc/63/74/55/556637455.db2.gz DJHFFQMTLBKEAP-GJZGRUSLSA-N 0 0 429.908 3.257 40 0 IGABRN CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 ZINC000016788584 556641636 /nfs/dbraw/zinc/64/16/36/556641636.db2.gz LTULOJXYARPIFJ-UHFFFAOYSA-N 0 0 449.496 3.066 40 0 IGABRN CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1 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JCAMGRJTGZPNFS-OAQYLSRUSA-N 0 0 432.542 3.120 40 0 IGABRN CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCCc1ccc(F)cc1)O2 ZINC000044906569 556680174 /nfs/dbraw/zinc/68/01/74/556680174.db2.gz XPLPFMYIRTUBPB-OAQYLSRUSA-N 0 0 448.560 3.399 40 0 IGABRN CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000017961427 556680366 /nfs/dbraw/zinc/68/03/66/556680366.db2.gz HMOHEUXMMDOCPE-CYBMUJFWSA-N 0 0 425.348 3.167 40 0 IGABRN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)Oc2ccccc21 ZINC000044915944 556681389 /nfs/dbraw/zinc/68/13/89/556681389.db2.gz BSKFEEJIWYFMBB-OAQYLSRUSA-N 0 0 436.489 3.083 40 0 IGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044939496 556683249 /nfs/dbraw/zinc/68/32/49/556683249.db2.gz PRHQXUHBPQEKQO-UHFFFAOYSA-N 0 0 442.541 3.187 40 0 IGABRN Cc1cccc(CN(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000780416 556693158 /nfs/dbraw/zinc/69/31/58/556693158.db2.gz KFSWMJLKBYPRSS-IBGZPJMESA-N 0 0 436.961 3.135 40 0 IGABRN CC(=O)Nc1cccc([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)c1 ZINC000019022860 556694438 /nfs/dbraw/zinc/69/44/38/556694438.db2.gz FLYYHZCIFBKJCU-WIOPSUGQSA-N 0 0 437.515 3.382 40 0 IGABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C2CCCCC2)cc1 ZINC000000811062 556698000 /nfs/dbraw/zinc/69/80/00/556698000.db2.gz FUURGLMRLRKVJL-UHFFFAOYSA-N 0 0 444.553 3.364 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1C ZINC000000813940 556698380 /nfs/dbraw/zinc/69/83/80/556698380.db2.gz JZVFAIFTLLKSRN-UHFFFAOYSA-N 0 0 436.961 3.374 40 0 IGABRN CC(C)C(=O)N1CCC(C[C@@H]2CC(c3ccccc3)=NO2)(C(=O)NC[C@H]2CCCO2)CC1 ZINC000019085183 556698961 /nfs/dbraw/zinc/69/89/61/556698961.db2.gz SHWAYHZVSOCRQQ-RTWAWAEBSA-N 0 0 441.572 3.130 40 0 IGABRN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)COc2cccc(F)c2)CC1 ZINC000257213848 556702659 /nfs/dbraw/zinc/70/26/59/556702659.db2.gz CJIFRVKYIGBBIH-VDKIKQQVSA-N 0 0 442.531 3.041 40 0 IGABRN COc1ccc(-c2cc3ncccc3c(NCCNC(=O)c3ccc(C)n(C)c3=O)n2)cc1 ZINC000019131771 556704401 /nfs/dbraw/zinc/70/44/01/556704401.db2.gz YJDGELYSRYEZOE-UHFFFAOYSA-N 0 0 443.507 3.154 40 0 IGABRN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCCN3CCOCC3)CCCO2)c1 ZINC000257334640 556706288 /nfs/dbraw/zinc/70/62/88/556706288.db2.gz YGTTTWFHKDVINI-AREMUKBSSA-N 0 0 438.568 3.292 40 0 IGABRN CC(=O)c1ccc(NC(=O)CN2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000257231760 556709392 /nfs/dbraw/zinc/70/93/92/556709392.db2.gz GIBSKWLEACGDNE-WIOPSUGQSA-N 0 0 437.515 3.495 40 0 IGABRN CSCC[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)c1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000019214328 556711405 /nfs/dbraw/zinc/71/14/05/556711405.db2.gz JUCUQIPNJCVCCL-KRWDZBQOSA-N 0 0 444.582 3.221 40 0 IGABRN Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[nH]c(=O)c3C2)s1 ZINC000019216984 556712127 /nfs/dbraw/zinc/71/21/27/556712127.db2.gz SKTWSCJPEZYGCI-SFHVURJKSA-N 0 0 440.569 3.192 40 0 IGABRN COc1c(C)cccc1C(=O)N1CCNC(=O)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000019235850 556720201 /nfs/dbraw/zinc/72/02/01/556720201.db2.gz GEQKUIDVGXTLKV-QFIPXVFZSA-N 0 0 429.520 3.497 40 0 IGABRN COC(=O)c1c(C)c(C(=O)N2CCCCC2)sc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000871431 556726383 /nfs/dbraw/zinc/72/63/83/556726383.db2.gz QXOUQZYVEJKLFG-UHFFFAOYSA-N 0 0 430.482 3.450 40 0 IGABRN Cc1nc(C[C@H](NC(=O)c2cc(C(C)(C)C)nn2C)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000019285317 556727176 /nfs/dbraw/zinc/72/71/76/556727176.db2.gz CEOFZGCCVVZGCN-KRWDZBQOSA-N 0 0 427.936 3.477 40 0 IGABRN Cc1nc(C)n(C[C@H](C)C(=O)N2CCNC(=O)[C@@H](Cc3ccc(-c4ccccc4)cc3)C2)n1 ZINC000019285877 556727709 /nfs/dbraw/zinc/72/77/09/556727709.db2.gz XNMGGBUSFLSFDS-UUOWRZLLSA-N 0 0 445.567 3.015 40 0 IGABRN COc1cccc([C@H]2NC3=NCN(Cc4ccccn4)CN3c3nc4ccccc4n32)c1 ZINC000054123578 556728920 /nfs/dbraw/zinc/72/89/20/556728920.db2.gz GLMRCMQKQGFAAW-QFIPXVFZSA-N 0 0 425.496 3.183 40 0 IGABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000000878983 556730849 /nfs/dbraw/zinc/73/08/49/556730849.db2.gz MYZVHBBRERTROY-PMACEKPBSA-N 0 0 429.586 3.179 40 0 IGABRN COc1ccccc1-c1ccc(C[C@]2(C(=O)N(C)C)CCN(C(=O)c3ccn(C)n3)C2)cc1 ZINC000019290858 556730898 /nfs/dbraw/zinc/73/08/98/556730898.db2.gz PXHNTEJCHOUVSK-AREMUKBSSA-N 0 0 446.551 3.259 40 0 IGABRN Cn1ccc(C(=O)N2CCc3nc(-c4cccnc4)nc(Nc4ccc(F)cc4)c3C2)n1 ZINC000019290963 556731130 /nfs/dbraw/zinc/73/11/30/556731130.db2.gz BEYYZBPLCSILIH-UHFFFAOYSA-N 0 0 429.459 3.353 40 0 IGABRN O=C(c1cc[nH]c(=O)c1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 ZINC000019292536 556732123 /nfs/dbraw/zinc/73/21/23/556732123.db2.gz WRNKRWHTQFMAOR-NJDAHSKKSA-N 0 0 439.581 3.473 40 0 IGABRN Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NC3CCCCC3)cc2c1 ZINC000000883315 556734269 /nfs/dbraw/zinc/73/42/69/556734269.db2.gz LWLLDZAURYGGIH-UHFFFAOYSA-N 0 0 442.629 3.178 40 0 IGABRN O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1 ZINC000019344523 556742300 /nfs/dbraw/zinc/74/23/00/556742300.db2.gz RFZDVCMUHDTJQS-MRXNPFEDSA-N 0 0 437.521 3.295 40 0 IGABRN O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(C(=O)c3cnccn3)CC[C@H]21 ZINC000019347716 556743596 /nfs/dbraw/zinc/74/35/96/556743596.db2.gz LAIZPMNZKVBBDW-DBXWQHBBSA-N 0 0 436.512 3.448 40 0 IGABRN O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 ZINC000019349388 556744367 /nfs/dbraw/zinc/74/43/67/556744367.db2.gz XEKNCUAECOATKY-JTSKRJEESA-N 0 0 436.531 3.487 40 0 IGABRN O=C(NCCn1ncc(-c2cnccn2)c1-c1cccs1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000019374884 556751116 /nfs/dbraw/zinc/75/11/16/556751116.db2.gz YAAAXTQPDRGMAE-MRXNPFEDSA-N 0 0 444.520 3.311 40 0 IGABRN O=C(CN1CCc2ccccc2C1)N1CCC(c2nc(-c3ccsc3)cc(=O)[nH]2)CC1 ZINC000019375368 556751454 /nfs/dbraw/zinc/75/14/54/556751454.db2.gz IEOHPIWSTKDLNA-UHFFFAOYSA-N 0 0 434.565 3.263 40 0 IGABRN O=C(CCn1cccn1)N1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019400773 556753436 /nfs/dbraw/zinc/75/34/36/556753436.db2.gz BCHKVQPXFOQXCB-HSZRJFAPSA-N 0 0 435.503 3.217 40 0 IGABRN COc1ccc(C(=O)N2[C@@H](CC(=O)Nc3ccccc3C)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000001432842 556756178 /nfs/dbraw/zinc/75/61/78/556756178.db2.gz NDZHAQDFOVTZMA-FSSWDIPSSA-N 0 0 435.524 3.284 40 0 IGABRN CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)c2cc[nH]n2)C1 ZINC000019447261 556756427 /nfs/dbraw/zinc/75/64/27/556756427.db2.gz RZLNRGZIZAXPSD-VWLOTQADSA-N 0 0 431.540 3.319 40 0 IGABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000019449013 556758994 /nfs/dbraw/zinc/75/89/94/556758994.db2.gz VZTXFLBLECKFKT-AMGIVPHBSA-N 0 0 447.579 3.118 40 0 IGABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CC(=O)N(C)C3)cc2N1 ZINC000019451176 556762098 /nfs/dbraw/zinc/76/20/98/556762098.db2.gz ATBHJVJBGCVOOH-YQFWSFKMSA-N 0 0 441.498 3.359 40 0 IGABRN COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)Cn3nnc4ccccc43)CC1)CC2=O ZINC000019457257 556765881 /nfs/dbraw/zinc/76/58/81/556765881.db2.gz IJSCLJSSOZJAOF-INIZCTEOSA-N 0 0 434.496 3.103 40 0 IGABRN COCCN(C(=O)c1noc2c1C[C@@H](C)CC2)c1nc2c(s1)CCc1c-2cnn1C ZINC000019497104 556769389 /nfs/dbraw/zinc/76/93/89/556769389.db2.gz AXASMMRLMRTSLZ-LBPRGKRZSA-N 0 0 427.530 3.048 40 0 IGABRN Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCc4ccccc43)cc2c1 ZINC000001224707 556769989 /nfs/dbraw/zinc/76/99/89/556769989.db2.gz JIFXPUHVCHABLW-WMZHIEFXSA-N 0 0 442.523 3.154 40 0 IGABRN CCn1c(CSc2ncccn2)nnc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000001325565 556771334 /nfs/dbraw/zinc/77/13/34/556771334.db2.gz OMSQGHMGFWTXNF-CQSZACIVSA-N 0 0 426.571 3.450 40 0 IGABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CC(=O)N(C)C3)cc2N1 ZINC000019520603 556777201 /nfs/dbraw/zinc/77/72/01/556777201.db2.gz FOZHWDHPKKNIEX-LUYZLQTOSA-N 0 0 427.471 3.113 40 0 IGABRN COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3)n2)cc1 ZINC000001372843 556785537 /nfs/dbraw/zinc/78/55/37/556785537.db2.gz BRDUYLZWYOIWQZ-UHFFFAOYSA-N 0 0 428.452 3.240 40 0 IGABRN CCN1CCN(C(=O)Cc2c(C)n[nH]c2C)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527373 556785651 /nfs/dbraw/zinc/78/56/51/556785651.db2.gz NRDHMAJWFJHNRE-QHCPKHFHSA-N 0 0 445.567 3.181 40 0 IGABRN CCN1CCN(C(=O)c2ccn(C)n2)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000019527690 556787042 /nfs/dbraw/zinc/78/70/42/556787042.db2.gz XWPJSPFOBAMPCX-HXUWFJFHSA-N 0 0 446.551 3.259 40 0 IGABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2ccccc2)CCO1 ZINC000019529271 556790680 /nfs/dbraw/zinc/79/06/80/556790680.db2.gz VJFMMLFWXLSPPS-SANMLTNESA-N 0 0 429.520 3.339 40 0 IGABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CN(C(=O)c2ccccn2)CCO1 ZINC000019529288 556790714 /nfs/dbraw/zinc/79/07/14/556790714.db2.gz ZOWBSMVSVNVESF-XMMPIXPASA-N 0 0 435.549 3.400 40 0 IGABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2ccncc2)CCO1 ZINC000019529308 556790955 /nfs/dbraw/zinc/79/09/55/556790955.db2.gz UQEBIXHYQCGALO-XMMPIXPASA-N 0 0 435.549 3.400 40 0 IGABRN CCOc1ccc(OCC)c(NC(=O)Cn2nc(-c3cc(C)oc3C)cc(N)c2=O)c1 ZINC000019532571 556792814 /nfs/dbraw/zinc/79/28/14/556792814.db2.gz QTZRWEWTMVXIRO-UHFFFAOYSA-N 0 0 426.473 3.138 40 0 IGABRN CCOc1ccc(O[C@H](C)C(=O)N2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1 ZINC000019533567 556793307 /nfs/dbraw/zinc/79/33/07/556793307.db2.gz GEQINYSWYXBTMP-AEFFLSMTSA-N 0 0 434.496 3.014 40 0 IGABRN COc1cc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)nc(OC)n1 ZINC000019550319 556794996 /nfs/dbraw/zinc/79/49/96/556794996.db2.gz AWXBXFCGKLJWMM-LLVKDONJSA-N 0 0 435.406 3.409 40 0 IGABRN CNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)c2cnc(N)nc2C)C1 ZINC000019552810 556796519 /nfs/dbraw/zinc/79/65/19/556796519.db2.gz QNCMXTQFRRRNQT-DEOSSOPVSA-N 0 0 449.580 3.307 40 0 IGABRN COc1ccc(CC(=O)N2CCO[C@@H](c3nc(-c4ccccn4)no3)C2)c2ccccc12 ZINC000019552967 556796772 /nfs/dbraw/zinc/79/67/72/556796772.db2.gz MHDXQGGNICFQQB-OAQYLSRUSA-N 0 0 430.464 3.436 40 0 IGABRN Cc1c(C(=O)N2CCC(n3cnc4sc5c(c4c3=O)CC[C@@H](C)C5)CC2)cnn1C ZINC000019553229 556797002 /nfs/dbraw/zinc/79/70/02/556797002.db2.gz IXTRGDYTPZYDCM-CYBMUJFWSA-N 0 0 425.558 3.102 40 0 IGABRN COc1ccc(CC(=O)N2CC[C@](Cc3ccccc3-c3cccnc3)(C(N)=O)C2)cc1 ZINC000019554038 556797486 /nfs/dbraw/zinc/79/74/86/556797486.db2.gz HOXDQFGINZSKMO-AREMUKBSSA-N 0 0 429.520 3.246 40 0 IGABRN COc1ccc(-c2noc([C@@H]3CN(S(=O)(=O)c4cccc(Cl)c4)CCO3)n2)cc1 ZINC000019558549 556800479 /nfs/dbraw/zinc/80/04/79/556800479.db2.gz XGWHECKSZVTZGH-KRWDZBQOSA-N 0 0 435.889 3.161 40 0 IGABRN COc1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4ncnc4n3)CC2)cc1OC ZINC000019559821 556801470 /nfs/dbraw/zinc/80/14/70/556801470.db2.gz YXDFDEZXEHVYAU-UHFFFAOYSA-N 0 0 435.406 3.180 40 0 IGABRN Cc1cc(C(=O)N2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)c(=O)[nH]c1C ZINC000019566730 556807371 /nfs/dbraw/zinc/80/73/71/556807371.db2.gz PZXDRMHFGPXAEW-UHFFFAOYSA-N 0 0 444.539 3.438 40 0 IGABRN CC(=O)Nc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2ccnc3cc(C)nn32)cc1C ZINC000019567437 556807501 /nfs/dbraw/zinc/80/75/01/556807501.db2.gz JMDWQRFDQGPZLY-SFHVURJKSA-N 0 0 427.530 3.139 40 0 IGABRN COc1ccccc1C(=O)N1CCC[C@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019568695 556808781 /nfs/dbraw/zinc/80/87/81/556808781.db2.gz RNBDITZAQANADD-KRWDZBQOSA-N 0 0 432.528 3.495 40 0 IGABRN Cc1cc(C)cc(-c2ccc(C[C@H]3CN(C(=O)c4ccn(C)n4)CCN(C)C3=O)cc2)c1 ZINC000019569825 556809901 /nfs/dbraw/zinc/80/99/01/556809901.db2.gz MDQBKPUUKMUCNS-QHCPKHFHSA-N 0 0 430.552 3.477 40 0 IGABRN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[nH]c(=O)c32)c(Cl)c1 ZINC000040388762 556810188 /nfs/dbraw/zinc/81/01/88/556810188.db2.gz GFBDCGWNBFYOPO-MELADBBJSA-N 0 0 443.935 3.279 40 0 IGABRN Cc1cc(C)n(CC(=O)N2CCO[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)n1 ZINC000019573384 556813849 /nfs/dbraw/zinc/81/38/49/556813849.db2.gz JABWLMPMSOAKQV-INIZCTEOSA-N 0 0 435.406 3.169 40 0 IGABRN CS(=O)(=O)c1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2C(=O)CCc2ccccc2)cc1 ZINC000019573444 556813851 /nfs/dbraw/zinc/81/38/51/556813851.db2.gz PLRVSXJVLDWJQS-SIKLNZKXSA-N 0 0 435.549 3.497 40 0 IGABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)n1 ZINC000019574054 556814203 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3.353 40 0 IGABRN CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233681 557250269 /nfs/dbraw/zinc/25/02/69/557250269.db2.gz NXDSENOAJOHQGS-MJGOQNOKSA-N 0 0 448.571 3.140 40 0 IGABRN CC(C)C(=O)N1CCc2c(=O)n3[n-]c([C@@H]4CCC[N@@H+]4Cc4cccc(F)c4)cc3nc2C1 ZINC000100234348 557252916 /nfs/dbraw/zinc/25/29/16/557252916.db2.gz NMMBJIVXMIJTCC-NRFANRHFSA-N 0 0 437.519 3.452 40 0 IGABRN CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCOC)Cc3ccc(C)cc3)cc2c1 ZINC000057615899 557255725 /nfs/dbraw/zinc/25/57/25/557255725.db2.gz WJTFPDZHEHFHGS-UHFFFAOYSA-N 0 0 446.555 3.234 40 0 IGABRN COC(=O)[C@]1(c2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000100421356 557260378 /nfs/dbraw/zinc/26/03/78/557260378.db2.gz QBTIXQCPRPBTAH-AZXNSQLWSA-N 0 0 432.501 3.267 40 0 IGABRN Cc1ccc(N(CCCC(=O)N(C)Cc2nc(-c3cccs3)no2)S(C)(=O)=O)cc1 ZINC000219630839 557260670 /nfs/dbraw/zinc/26/06/70/557260670.db2.gz QABLFTVCYFNANO-UHFFFAOYSA-N 0 0 448.570 3.311 40 0 IGABRN CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000100657945 557267789 /nfs/dbraw/zinc/26/77/89/557267789.db2.gz RGLMQJTUDWSGJL-GASCZTMLSA-N 0 0 446.598 3.247 40 0 IGABRN COc1ccc(-c2nc([C@H]3CC[C@H](CNC(=O)C[C@@H]4CCCO4)CC3)[nH]c2C(N)=O)cc1 ZINC000100687880 557269328 /nfs/dbraw/zinc/26/93/28/557269328.db2.gz HIJBRKSODGDQLQ-WDYCEAGBSA-N 0 0 440.544 3.143 40 0 IGABRN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)Cn2cccn2)CC1 ZINC000100688365 557269638 /nfs/dbraw/zinc/26/96/38/557269638.db2.gz XLOZIXVLOORSAJ-IYBDPMFKSA-N 0 0 425.558 3.285 40 0 IGABRN CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc(C)cc1C ZINC000219972783 557273622 /nfs/dbraw/zinc/27/36/22/557273622.db2.gz GBCPWZICQIUJJT-QFIPXVFZSA-N 0 0 430.570 3.347 40 0 IGABRN COc1ccc(OC[C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000219984044 557275299 /nfs/dbraw/zinc/27/52/99/557275299.db2.gz JPNLJQWBZIGYQN-QGZVFWFLSA-N 0 0 432.542 3.067 40 0 IGABRN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](C(=O)c3cnn(-c4ccc(F)cc4)c3N)C2)CC1 ZINC000100745241 557275818 /nfs/dbraw/zinc/27/58/18/557275818.db2.gz PYIBHCKYEYMYDH-MDZRGWNJSA-N 0 0 428.508 3.220 40 0 IGABRN CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(F)cc3)c(=O)[nH]2)CC1 ZINC000013083147 557276613 /nfs/dbraw/zinc/27/66/13/557276613.db2.gz JHIXUPYZGXTTOO-UHFFFAOYSA-N 0 0 426.496 3.401 40 0 IGABRN CCc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(C)=O)CC1 ZINC000013084868 557277953 /nfs/dbraw/zinc/27/79/53/557277953.db2.gz WOFQQKFQUIKNJP-QHCPKHFHSA-N 0 0 436.556 3.109 40 0 IGABRN COc1cccc(CCCNC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)c1 ZINC000220048279 557278577 /nfs/dbraw/zinc/27/85/77/557278577.db2.gz YTFIFQYEILJPLR-UHFFFAOYSA-N 0 0 444.475 3.229 40 0 IGABRN CCOC(=O)c1cccc(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)c1C ZINC000220110882 557281678 /nfs/dbraw/zinc/28/16/78/557281678.db2.gz NHSSICJZGDZAEP-UHFFFAOYSA-N 0 0 448.541 3.364 40 0 IGABRN Cc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(C)(=O)=O)c1 ZINC000220137288 557282402 /nfs/dbraw/zinc/28/24/02/557282402.db2.gz BEYXEPRQKLVZIL-INIZCTEOSA-N 0 0 431.558 3.317 40 0 IGABRN COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000220191710 557284543 /nfs/dbraw/zinc/28/45/43/557284543.db2.gz IPRWTTAVKAEZAP-GFCCVEGCSA-N 0 0 444.431 3.285 40 0 IGABRN COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)c1 ZINC000220212315 557285691 /nfs/dbraw/zinc/28/56/91/557285691.db2.gz NUJCERKUERUGKO-CYBMUJFWSA-N 0 0 426.922 3.459 40 0 IGABRN COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1OC ZINC000220241612 557287629 /nfs/dbraw/zinc/28/76/29/557287629.db2.gz WYXNQFAYSJPKLJ-DLBZAZTESA-N 0 0 434.558 3.353 40 0 IGABRN CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(C)ccc2OC)S(C)(=O)=O)c1C ZINC000220344621 557292043 /nfs/dbraw/zinc/29/20/43/557292043.db2.gz IWLAHRZVGOINMW-MRXNPFEDSA-N 0 0 448.541 3.282 40 0 IGABRN COc1ccccc1CNC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220430109 557294685 /nfs/dbraw/zinc/29/46/85/557294685.db2.gz CCHMMNPQJRMGGT-LBPRGKRZSA-N 0 0 431.341 3.473 40 0 IGABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000220459373 557296240 /nfs/dbraw/zinc/29/62/40/557296240.db2.gz DGPYYQNSROSQDN-CYBMUJFWSA-N 0 0 440.468 3.243 40 0 IGABRN CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220612596 557302868 /nfs/dbraw/zinc/30/28/68/557302868.db2.gz DUAVOMWWNAFVGQ-IBGZPJMESA-N 0 0 434.514 3.055 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)c(C)c1 ZINC000220628618 557303642 /nfs/dbraw/zinc/30/36/42/557303642.db2.gz SQIXQPWZZUMMLR-FQEVSTJZSA-N 0 0 448.541 3.364 40 0 IGABRN CC[C@@H](C(=O)NCCSCc1ccccc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000220641416 557303956 /nfs/dbraw/zinc/30/39/56/557303956.db2.gz JVKMXXIOHCZEJP-FQEVSTJZSA-N 0 0 436.599 3.289 40 0 IGABRN CCOc1ccc(CCCNC(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000220659349 557304938 /nfs/dbraw/zinc/30/49/38/557304938.db2.gz GASLCFDNWWDGMU-QFIPXVFZSA-N 0 0 448.585 3.388 40 0 IGABRN CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000220740480 557310706 /nfs/dbraw/zinc/31/07/06/557310706.db2.gz LDEXOTFCXAOPMW-FQEVSTJZSA-N 0 0 437.993 3.446 40 0 IGABRN COCCCN1C(=O)[C@H]2[C@H]3C=C(C)c4ccccc4N3[C@@H](C(=O)c3ccc(C)cc3)[C@@H]2C1=O ZINC000103458920 557315480 /nfs/dbraw/zinc/31/54/80/557315480.db2.gz PWKJWSNJXRSQCX-UEQSERJNSA-N 0 0 444.531 3.490 40 0 IGABRN O=C(CCC(=O)N(CC(=O)NCc1ccc(F)cc1)C1CCCCC1)Nc1nccs1 ZINC000013501676 557325280 /nfs/dbraw/zinc/32/52/80/557325280.db2.gz WCSVMIWCHAVZIK-UHFFFAOYSA-N 0 0 446.548 3.479 40 0 IGABRN O=C(CCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1nccs1 ZINC000013501740 557325290 /nfs/dbraw/zinc/32/52/90/557325290.db2.gz VUXNNGNLAXSTBD-UHFFFAOYSA-N 0 0 428.558 3.340 40 0 IGABRN O=C(CN(Cc1ccccc1Cl)C(=O)CNC(=O)c1cccs1)NC1CCCC1 ZINC000013506363 557330266 /nfs/dbraw/zinc/33/02/66/557330266.db2.gz YYZQUTZQPNKJIS-UHFFFAOYSA-N 0 0 433.961 3.219 40 0 IGABRN Cc1occc1-c1nnc(SCC(=O)N2CCCCCC2)n1CCCN1CCOCC1 ZINC000013512512 557333588 /nfs/dbraw/zinc/33/35/88/557333588.db2.gz NAQBKCKYWKEUGP-UHFFFAOYSA-N 0 0 447.605 3.064 40 0 IGABRN CCN(c1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1)S(=O)(=O)CC ZINC000222403918 557338483 /nfs/dbraw/zinc/33/84/83/557338483.db2.gz DBXCMIFKTANUMO-UHFFFAOYSA-N 0 0 428.514 3.151 40 0 IGABRN Cc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(Br)cc2C(=O)N3)cc1 ZINC000013566784 557345432 /nfs/dbraw/zinc/34/54/32/557345432.db2.gz MMBZGOUHOCHVHU-UHFFFAOYSA-N 0 0 428.330 3.474 40 0 IGABRN COc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc2c1OCO2 ZINC000014616671 557345474 /nfs/dbraw/zinc/34/54/74/557345474.db2.gz LWKSKTDPPVFJNO-UHFFFAOYSA-N 0 0 446.408 3.240 40 0 biogenic,in-vitro IGABRN CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222505090 557345572 /nfs/dbraw/zinc/34/55/72/557345572.db2.gz FIYGZCAPRFMQFA-INIZCTEOSA-N 0 0 442.896 3.434 40 0 IGABRN C[C@H](O)c1nc2ccccc2n1C[C@H](O)COc1ccc(I)cc1 ZINC000013566921 557345655 /nfs/dbraw/zinc/34/56/55/557345655.db2.gz VOGVMINQVJDTFZ-JSGCOSHPSA-N 0 0 438.265 3.134 40 0 IGABRN CN(c1ccc(Cl)c(C(=O)NCCCN2CCCc3ccccc32)c1)S(C)(=O)=O ZINC000222507081 557346132 /nfs/dbraw/zinc/34/61/32/557346132.db2.gz TWRVUUFDBJEAFX-UHFFFAOYSA-N 0 0 435.977 3.309 40 0 IGABRN Cc1cccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)cc3Cl)n2)c1 ZINC000222524971 557347465 /nfs/dbraw/zinc/34/74/65/557347465.db2.gz GTHJTALNAWLYDZ-UHFFFAOYSA-N 0 0 434.905 3.024 40 0 IGABRN CCOC(=O)c1cccc(NC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1C ZINC000222584724 557356314 /nfs/dbraw/zinc/35/63/14/557356314.db2.gz SHKRKNASEVXVOU-UHFFFAOYSA-N 0 0 448.541 3.365 40 0 IGABRN CCOc1ccc(CCCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 ZINC000222585717 557356534 /nfs/dbraw/zinc/35/65/34/557356534.db2.gz FXSZKDQFLFYKMN-UHFFFAOYSA-N 0 0 448.585 3.389 40 0 IGABRN CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)c3ccc(OC)cc3)C2)cc1C ZINC000222591046 557357689 /nfs/dbraw/zinc/35/76/89/557357689.db2.gz DFSMMXPLXIPLME-GOSISDBHSA-N 0 0 446.569 3.466 40 0 IGABRN COc1ccc(N(CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1 ZINC000222606894 557360662 /nfs/dbraw/zinc/36/06/62/557360662.db2.gz UAQMFOSKISVMOI-UHFFFAOYSA-N 0 0 445.541 3.007 40 0 IGABRN CCOc1ccc(N(CCCC(=O)Nc2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000222617285 557362429 /nfs/dbraw/zinc/36/24/29/557362429.db2.gz PPSWSUQXMMAXNZ-UHFFFAOYSA-N 0 0 436.530 3.287 40 0 IGABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222619468 557362941 /nfs/dbraw/zinc/36/29/41/557362941.db2.gz LXLSIFAKEVOVHU-AWEZNQCLSA-N 0 0 437.309 3.439 40 0 IGABRN CCOc1ccc(N(CCCC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000222619647 557362967 /nfs/dbraw/zinc/36/29/67/557362967.db2.gz GYZOLPWMJQTWTQ-UHFFFAOYSA-N 0 0 434.514 3.041 40 0 IGABRN CCOc1ccc(N(CCCC(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000222622500 557363720 /nfs/dbraw/zinc/36/37/20/557363720.db2.gz CCEXNXRGSHNAKU-UHFFFAOYSA-N 0 0 434.558 3.135 40 0 IGABRN COC(=O)c1ccc(Cl)c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1 ZINC000222656571 557369281 /nfs/dbraw/zinc/36/92/81/557369281.db2.gz KSRSINVNXQHIGG-UHFFFAOYSA-N 0 0 442.896 3.451 40 0 IGABRN CSc1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000222671263 557371643 /nfs/dbraw/zinc/37/16/43/557371643.db2.gz WVOHVBYXBDQSLV-UHFFFAOYSA-N 0 0 436.555 3.365 40 0 IGABRN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)CC(C)(C)O2 ZINC000222713383 557377577 /nfs/dbraw/zinc/37/75/77/557377577.db2.gz YWHBSRYCWPVWEN-CYBMUJFWSA-N 0 0 438.575 3.412 40 0 IGABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCc3ccco3)cc2)cc1 ZINC000113936242 557379420 /nfs/dbraw/zinc/37/94/20/557379420.db2.gz NFXZZLMOHJHJSJ-UHFFFAOYSA-N 0 0 428.510 3.476 40 0 IGABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000113940704 557379990 /nfs/dbraw/zinc/37/99/90/557379990.db2.gz MXFVLEXPWJHRBZ-KGLIPLIRSA-N 0 0 440.949 3.389 40 0 IGABRN COc1ccc(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCc2ccncc2)cc1OC ZINC000222731535 557380628 /nfs/dbraw/zinc/38/06/28/557380628.db2.gz JSYNYBAZNOVHDX-LJQANCHMSA-N 0 0 447.535 3.375 40 0 IGABRN CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000222748734 557382395 /nfs/dbraw/zinc/38/23/95/557382395.db2.gz ZSBLXKFADBNTRL-UHFFFAOYSA-N 0 0 434.533 3.428 40 0 IGABRN Cc1cnc(C(=O)N2CCN(C)C(=O)[C@H]2Cc2ccccc2-c2cc(F)cc(F)c2)cn1 ZINC000072351646 557386197 /nfs/dbraw/zinc/38/61/97/557386197.db2.gz YPUKKLJOHDRBMK-JOCHJYFZSA-N 0 0 436.462 3.256 40 0 IGABRN CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(Br)c(C)c1 ZINC000222811288 557389228 /nfs/dbraw/zinc/38/92/28/557389228.db2.gz ZUAJTRQZYYLRNZ-OAHLLOKOSA-N 0 0 449.345 3.308 40 0 IGABRN CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc3ccccc32)Oc2ccc(Cl)cc21 ZINC000222873933 557396412 /nfs/dbraw/zinc/39/64/12/557396412.db2.gz YWHYVXJRNKDFFD-FQEVSTJZSA-N 0 0 430.913 3.337 40 0 IGABRN COc1cccc(OC)c1CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000222888532 557398808 /nfs/dbraw/zinc/39/88/08/557398808.db2.gz LHORATZZVKRBDR-UHFFFAOYSA-N 0 0 446.569 3.127 40 0 IGABRN COc1ccc(C(=O)N2CCOc3ccccc32)cc1S(=O)(=O)NCc1ccccc1 ZINC000222907772 557401503 /nfs/dbraw/zinc/40/15/03/557401503.db2.gz DBUXPSZUZQOBMZ-UHFFFAOYSA-N 0 0 438.505 3.213 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H](C)c1ccccc1OC ZINC000222962240 557408764 /nfs/dbraw/zinc/40/87/64/557408764.db2.gz PRTSFROQKBHGND-MRXNPFEDSA-N 0 0 432.542 3.369 40 0 IGABRN COc1ccc(N(CCCC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1 ZINC000222990704 557412859 /nfs/dbraw/zinc/41/28/59/557412859.db2.gz FBEQGHRNTIUYQX-UHFFFAOYSA-N 0 0 444.604 3.232 40 0 IGABRN Cc1ccc(C)c(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)N(C)C)c1 ZINC000223005207 557414411 /nfs/dbraw/zinc/41/44/11/557414411.db2.gz JFQWMNTXRCIRJU-UHFFFAOYSA-N 0 0 445.570 3.073 40 0 IGABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(=O)OC)c1 ZINC000223034951 557418992 /nfs/dbraw/zinc/41/89/92/557418992.db2.gz KNWGGQLMJNQEKW-RTWAWAEBSA-N 0 0 436.537 3.278 40 0 IGABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)OC)c1 ZINC000223035067 557419045 /nfs/dbraw/zinc/41/90/45/557419045.db2.gz 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568690616 /nfs/dbraw/zinc/69/06/16/568690616.db2.gz KDTSRJPZEBQSEF-IBGZPJMESA-N 0 0 437.515 3.239 40 0 IGABRN Cc1cccc(N(C)CCC(=O)N2CC[C@@H](c3nc4c(c(C)n3)CC(=O)N4CC3CC3)C2)c1 ZINC000257254828 568690621 /nfs/dbraw/zinc/69/06/21/568690621.db2.gz KEVWTGPMDNGVJH-HXUWFJFHSA-N 0 0 447.583 3.235 40 0 IGABRN CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2ccsc2)c1 ZINC000257254489 568690660 /nfs/dbraw/zinc/69/06/60/568690660.db2.gz KDGYTHKFFSNHDO-IBGZPJMESA-N 0 0 443.569 3.471 40 0 IGABRN CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2ccsc2)c1 ZINC000257254490 568690737 /nfs/dbraw/zinc/69/07/37/568690737.db2.gz KDGYTHKFFSNHDO-LJQANCHMSA-N 0 0 443.569 3.471 40 0 IGABRN COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(C(=O)C4CCC4)C3)nc2C)c1 ZINC000257257715 568692180 /nfs/dbraw/zinc/69/21/80/568692180.db2.gz KQUSYTLXMAXVGW-HXUWFJFHSA-N 0 0 436.556 3.077 40 0 IGABRN Cc1cc(C)nc([C@@H]2CCN(C(=O)C3(C)CCN(C(=O)Cc4cccc(F)c4)CC3)C2)n1 ZINC000257258642 568692357 /nfs/dbraw/zinc/69/23/57/568692357.db2.gz 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ZINC000257283750 568703849 /nfs/dbraw/zinc/70/38/49/568703849.db2.gz OZSXUPJRBNWEBV-QGZVFWFLSA-N 0 0 439.951 3.169 40 0 IGABRN Nc1ncc(-c2cccc([C@H]3CN(C(=O)CCc4c[nH]c5ccccc45)CCO3)n2)cn1 ZINC000257289398 568706594 /nfs/dbraw/zinc/70/65/94/568706594.db2.gz PYLRKVVCFONJEW-JOCHJYFZSA-N 0 0 428.496 3.135 40 0 IGABRN CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4CCC[C@H](C)C4)c(C)n3n2)C1 ZINC000257291233 568707441 /nfs/dbraw/zinc/70/74/41/568707441.db2.gz QGEWGNSVOTZWFO-LPHOPBHVSA-N 0 0 425.577 3.263 40 0 IGABRN COc1ccc(NC(=O)CN2CCO[C@@H](c3cccc(Nc4nnc(C)s4)n3)C2)cc1 ZINC000257293983 568708367 /nfs/dbraw/zinc/70/83/67/568708367.db2.gz QRYPRADCJFYRAV-GOSISDBHSA-N 0 0 440.529 3.006 40 0 IGABRN CC(=O)Nc1ccc(NC(=O)CN2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)cc1 ZINC000257298160 568710309 /nfs/dbraw/zinc/71/03/09/568710309.db2.gz RKKUJGOEXHFYCY-FQEVSTJZSA-N 0 0 432.524 3.323 40 0 IGABRN CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)c4cc(C)nc(=O)[nH]4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257298097 568710359 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426.494 3.435 40 0 IGABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(Cl)c2)cc1N1CCCC1=O ZINC000224159421 557568393 /nfs/dbraw/zinc/56/83/93/557568393.db2.gz WVCRYDCBCAJLSQ-UHFFFAOYSA-N 0 0 438.933 3.141 40 0 IGABRN CCS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc31)CC2)c1ccc2c(c1)OCO2 ZINC000224161482 557568621 /nfs/dbraw/zinc/56/86/21/557568621.db2.gz DRDZJOSJJZDIGR-UHFFFAOYSA-N 0 0 438.505 3.462 40 0 IGABRN Cc1ccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1Cl ZINC000224172436 557570262 /nfs/dbraw/zinc/57/02/62/557570262.db2.gz ZGYBKKNEJULYCG-UHFFFAOYSA-N 0 0 436.961 3.383 40 0 IGABRN Cc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1Cl ZINC000224192468 557573296 /nfs/dbraw/zinc/57/32/96/557573296.db2.gz FMKXBZWDJHGGGX-KRWDZBQOSA-N 0 0 436.961 3.244 40 0 IGABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2C)cc1 ZINC000224224270 557577391 /nfs/dbraw/zinc/57/73/91/557577391.db2.gz UOEBVWXZMNWODT-UHFFFAOYSA-N 0 0 425.510 3.154 40 0 IGABRN CC(C)Oc1cccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 ZINC000224252603 557581458 /nfs/dbraw/zinc/58/14/58/557581458.db2.gz PKWYXAMVXMFQEF-UHFFFAOYSA-N 0 0 444.604 3.231 40 0 IGABRN C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000224263167 557582365 /nfs/dbraw/zinc/58/23/65/557582365.db2.gz MFUXFYGFQLVOSH-ZDUSSCGKSA-N 0 0 432.527 3.007 40 0 IGABRN COc1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c2)cc1 ZINC000224280171 557584826 /nfs/dbraw/zinc/58/48/26/557584826.db2.gz YRTJPEVESWDZBQ-UHFFFAOYSA-N 0 0 440.521 3.459 40 0 IGABRN CC[C@H](C(=O)NCCOc1ccc(OC)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224301826 557587559 /nfs/dbraw/zinc/58/75/59/557587559.db2.gz XMTSXDHGJXFUCH-LJQANCHMSA-N 0 0 440.949 3.088 40 0 IGABRN CC[C@@H](C(=O)NCCOc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224301329 557587624 /nfs/dbraw/zinc/58/76/24/557587624.db2.gz ODFKHCGBKSMDEW-KRWDZBQOSA-N 0 0 440.949 3.088 40 0 IGABRN CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCCCC1 ZINC000224320477 557591115 /nfs/dbraw/zinc/59/11/15/557591115.db2.gz NRTZTMHALIYKCR-UHFFFAOYSA-N 0 0 434.583 3.392 40 0 IGABRN O=C(CCc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224348043 557595674 /nfs/dbraw/zinc/59/56/74/557595674.db2.gz ASFNZNONGIEBDU-UHFFFAOYSA-N 0 0 436.961 3.252 40 0 IGABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccccc3C)CC2)c1 ZINC000224349351 557595967 /nfs/dbraw/zinc/59/59/67/557595967.db2.gz OZNLBYXBISMRON-UHFFFAOYSA-N 0 0 430.570 3.040 40 0 IGABRN Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NCCOc3ccc(C)cc3C)CC2)c1 ZINC000224349964 557596197 /nfs/dbraw/zinc/59/61/97/557596197.db2.gz GEAVYWUWHFFHFF-UHFFFAOYSA-N 0 0 444.597 3.349 40 0 IGABRN CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000224356571 557597460 /nfs/dbraw/zinc/59/74/60/557597460.db2.gz BCOXMIIQUQEONX-INIZCTEOSA-N 0 0 446.569 3.054 40 0 IGABRN Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000224385659 557600120 /nfs/dbraw/zinc/60/01/20/557600120.db2.gz XPVFZMKZUBLMGW-IBGZPJMESA-N 0 0 446.569 3.132 40 0 IGABRN O=C(CCCOc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224386210 557600240 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40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCc1cccc(C)c1 ZINC000224521076 557616064 /nfs/dbraw/zinc/61/60/64/557616064.db2.gz RBUMMJSIZUEKQV-UHFFFAOYSA-N 0 0 444.597 3.470 40 0 IGABRN CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1F ZINC000224526464 557616670 /nfs/dbraw/zinc/61/66/70/557616670.db2.gz GTVNAUMWQMBVCG-UHFFFAOYSA-N 0 0 440.909 3.402 40 0 IGABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000224544328 557619517 /nfs/dbraw/zinc/61/95/17/557619517.db2.gz RJCVVQPBTYGQLE-QFIPXVFZSA-N 0 0 444.528 3.035 40 0 IGABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000224551465 557621417 /nfs/dbraw/zinc/62/14/17/557621417.db2.gz MMEHKDPENKSBEY-HXUWFJFHSA-N 0 0 426.513 3.300 40 0 IGABRN COc1cccc(N([C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)c1 ZINC000224569874 557625097 /nfs/dbraw/zinc/62/50/97/557625097.db2.gz JUYCWJJNQKTAFH-LBPRGKRZSA-N 0 0 444.604 3.088 40 0 IGABRN COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224619384 557631802 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IGABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000224862970 557659865 /nfs/dbraw/zinc/65/98/65/557659865.db2.gz KKJWSRNJOFQGGT-LBPRGKRZSA-N 0 0 432.420 3.387 40 0 IGABRN CCS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000224874367 557660884 /nfs/dbraw/zinc/66/08/84/557660884.db2.gz BRNHDQVYBOUQQX-UHFFFAOYSA-N 0 0 446.403 3.109 40 0 IGABRN CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)Oc2ccccc21 ZINC000224876277 557661166 /nfs/dbraw/zinc/66/11/66/557661166.db2.gz RIICSSXCTAUVLA-INIZCTEOSA-N 0 0 430.404 3.141 40 0 IGABRN CC1(C)C[C@H](NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c2ccccc2O1 ZINC000224895355 557664150 /nfs/dbraw/zinc/66/41/50/557664150.db2.gz ZSNZGPJXFMRWAU-HNNXBMFYSA-N 0 0 444.538 3.371 40 0 IGABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000225001526 557676011 /nfs/dbraw/zinc/67/60/11/557676011.db2.gz NCWVVGPTHZNONK-RTBURBONSA-N 0 0 449.551 3.395 40 0 IGABRN Cc1ccc(N(CCCC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000225007882 557676790 /nfs/dbraw/zinc/67/67/90/557676790.db2.gz GMMBJDJXMJTCHH-UHFFFAOYSA-N 0 0 431.558 3.017 40 0 IGABRN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 ZINC000225034956 557681086 /nfs/dbraw/zinc/68/10/86/557681086.db2.gz LTAKBZZRAHEKBE-AWEZNQCLSA-N 0 0 433.555 3.010 40 0 IGABRN CCSc1nnc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000225037389 557681554 /nfs/dbraw/zinc/68/15/54/557681554.db2.gz WBTCMRRYAKIPBU-GFCCVEGCSA-N 0 0 432.980 3.095 40 0 IGABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)c2)CC1 ZINC000225059084 557683997 /nfs/dbraw/zinc/68/39/97/557683997.db2.gz WXJFJKLJGXCXSA-UHFFFAOYSA-N 0 0 445.566 3.273 40 0 IGABRN CC(C)Oc1ccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000225069551 557685015 /nfs/dbraw/zinc/68/50/15/557685015.db2.gz OLDUHLDUNDZHNI-UHFFFAOYSA-N 0 0 436.549 3.124 40 0 IGABRN COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)S(C)(=O)=O)cc1Cl ZINC000225092838 557686977 /nfs/dbraw/zinc/68/69/77/557686977.db2.gz CGIOCNUEWXJLAH-KBPBESRZSA-N 0 0 440.949 3.389 40 0 IGABRN CCn1c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2sc1=O ZINC000225096360 557687565 /nfs/dbraw/zinc/68/75/65/557687565.db2.gz OPTXWHRMFNUNJZ-UHFFFAOYSA-N 0 0 445.566 3.428 40 0 IGABRN CC(C)n1c(=O)sc2cc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)ccc21 ZINC000225139802 557691737 /nfs/dbraw/zinc/69/17/37/557691737.db2.gz DVXSBYZPHDVVFO-UHFFFAOYSA-N 0 0 437.518 3.188 40 0 IGABRN Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O ZINC000225138379 557691773 /nfs/dbraw/zinc/69/17/73/557691773.db2.gz VXDSGQFPZRRELW-UHFFFAOYSA-N 0 0 433.555 3.357 40 0 IGABRN CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(C)cc1C ZINC000225169288 557695705 /nfs/dbraw/zinc/69/57/05/557695705.db2.gz VIKQIOAKWCRNIN-FQEVSTJZSA-N 0 0 434.558 3.052 40 0 IGABRN COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000225190161 557697777 /nfs/dbraw/zinc/69/77/77/557697777.db2.gz UBDBKORTLVZCLS-KRWDZBQOSA-N 0 0 434.558 3.368 40 0 IGABRN 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557400490 /nfs/dbraw/zinc/40/04/90/557400490.db2.gz NOOYBUYQXGBHOG-UHFFFAOYSA-N 0 0 447.466 3.388 40 0 IGABRN CN(C[C@@H](O)c1ccc(O)cc1)C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000033585071 557415076 /nfs/dbraw/zinc/41/50/76/557415076.db2.gz WOPPVPHTCZHQGL-RMFUMNGISA-N 0 0 446.912 3.274 40 0 IGABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C(=O)OC)cc1 ZINC000223035276 557418899 /nfs/dbraw/zinc/41/88/99/557418899.db2.gz FKSGMDRNYDKVKP-LEWJYISDSA-N 0 0 436.537 3.278 40 0 IGABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(=O)OC)c1 ZINC000223035009 557418920 /nfs/dbraw/zinc/41/89/20/557418920.db2.gz KNWGGQLMJNQEKW-LEWJYISDSA-N 0 0 436.537 3.278 40 0 IGABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C(=O)OC)cc1 ZINC000223035156 557418960 /nfs/dbraw/zinc/41/89/60/557418960.db2.gz FKSGMDRNYDKVKP-SFTDATJTSA-N 0 0 436.537 3.278 40 0 IGABRN Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[nH]c(=O)c21 ZINC000223052112 557421736 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3.069 40 0 IGABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000224623414 557632176 /nfs/dbraw/zinc/63/21/76/557632176.db2.gz YPUMOHRVHGHEAV-IAGOWNOFSA-N 0 0 434.558 3.353 40 0 IGABRN COc1ccc(CNC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC ZINC000224631022 557633584 /nfs/dbraw/zinc/63/35/84/557633584.db2.gz YBOSXEWQUSLTCK-UHFFFAOYSA-N 0 0 440.949 3.220 40 0 IGABRN COc1ccccc1OCCNC(=O)CCCN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224652350 557636229 /nfs/dbraw/zinc/63/62/29/557636229.db2.gz UULATJNHIWIPTO-UHFFFAOYSA-N 0 0 434.558 3.053 40 0 IGABRN COc1ccc(N(CCCC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000224695420 557641326 /nfs/dbraw/zinc/64/13/26/557641326.db2.gz ZGFLMDHXVWBFOY-UHFFFAOYSA-N 0 0 434.558 3.053 40 0 IGABRN CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224714375 557643347 /nfs/dbraw/zinc/64/33/47/557643347.db2.gz XPCAMLFOCZGNLS-UHFFFAOYSA-N 0 0 425.890 3.193 40 0 IGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000224732777 557645393 /nfs/dbraw/zinc/64/53/93/557645393.db2.gz ZIDBMBYDKLFKQU-IBGZPJMESA-N 0 0 449.551 3.315 40 0 IGABRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)CC2)cc1 ZINC000224739441 557646210 /nfs/dbraw/zinc/64/62/10/557646210.db2.gz FMSGGTKAJVAEOO-IBGZPJMESA-N 0 0 442.581 3.174 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1C(C)C ZINC000224885774 557662646 /nfs/dbraw/zinc/66/26/46/557662646.db2.gz FMDILOWQSCJLDR-UHFFFAOYSA-N 0 0 446.569 3.411 40 0 IGABRN CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224892932 557663742 /nfs/dbraw/zinc/66/37/42/557663742.db2.gz RSJKJOAMADQUNM-UHFFFAOYSA-N 0 0 444.294 3.465 40 0 IGABRN CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000224897005 557664312 /nfs/dbraw/zinc/66/43/12/557664312.db2.gz OKXATWJXSLFBKO-UHFFFAOYSA-N 0 0 440.905 3.065 40 0 IGABRN C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224929811 557668010 /nfs/dbraw/zinc/66/80/10/557668010.db2.gz FQTMIBWMXRQBKH-LLVKDONJSA-N 0 0 436.402 3.455 40 0 IGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)COc1cccc2c1CCCC2 ZINC000224932555 557668395 /nfs/dbraw/zinc/66/83/95/557668395.db2.gz YLNFKEXUFBNOOX-UHFFFAOYSA-N 0 0 432.542 3.278 40 0 IGABRN COc1ccc(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000224946735 557670112 /nfs/dbraw/zinc/67/01/12/557670112.db2.gz SMGWTHMKLSSDHC-UHFFFAOYSA-N 0 0 447.557 3.099 40 0 IGABRN COc1ccc(CNC(=O)c2cccc(I)c2)c(OC)c1OC ZINC000224963796 557671961 /nfs/dbraw/zinc/67/19/61/557671961.db2.gz KPDNYZKHKAGQIF-UHFFFAOYSA-N 0 0 427.238 3.247 40 0 IGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1cc(OC)cc(OC)c1 ZINC000225031018 557680137 /nfs/dbraw/zinc/68/01/37/557680137.db2.gz PMBBSBWTJXPSIF-KRWDZBQOSA-N 0 0 444.528 3.035 40 0 IGABRN CCn1c(=O)sc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)ccc21 ZINC000225106932 557688357 /nfs/dbraw/zinc/68/83/57/557688357.db2.gz XBNQQHCKJSFZIO-UHFFFAOYSA-N 0 0 425.919 3.360 40 0 IGABRN COc1ccc2c(c1)[C@H](NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O)CC(C)(C)O2 ZINC000225129784 557690595 /nfs/dbraw/zinc/69/05/95/557690595.db2.gz SZOZFNFAXFDNOE-HXUWFJFHSA-N 0 0 446.569 3.184 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1Cl ZINC000225149371 557692506 /nfs/dbraw/zinc/69/25/06/557692506.db2.gz RBVOFCSVPUHUBL-UHFFFAOYSA-N 0 0 436.961 3.382 40 0 IGABRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1N1CCCC1=O ZINC000225174626 557696288 /nfs/dbraw/zinc/69/62/88/557696288.db2.gz AGQIMOWACRDKAW-UHFFFAOYSA-N 0 0 439.537 3.222 40 0 IGABRN COc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)C(C)C)c2ccc(F)cc2)cc1OC ZINC000225197250 557698888 /nfs/dbraw/zinc/69/88/88/557698888.db2.gz ZDVCEMBJGNSIFX-HNNXBMFYSA-N 0 0 438.521 3.199 40 0 IGABRN CC(C)[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000225214834 557701175 /nfs/dbraw/zinc/70/11/75/557701175.db2.gz MQEMPJPPEFUXRB-AWEZNQCLSA-N 0 0 431.396 3.152 40 0 IGABRN COc1ccc(OC)c([C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)c1 ZINC000225254066 557705430 /nfs/dbraw/zinc/70/54/30/557705430.db2.gz OYXBQVGCYXWTOK-OAHLLOKOSA-N 0 0 438.521 3.267 40 0 IGABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225254669 557705603 /nfs/dbraw/zinc/70/56/03/557705603.db2.gz JJEJWDUDLJVNES-KRWDZBQOSA-N 0 0 438.505 3.366 40 0 IGABRN COc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C(C)C ZINC000225267556 557707208 /nfs/dbraw/zinc/70/72/08/557707208.db2.gz NNMDVFOLRUNUGC-UHFFFAOYSA-N 0 0 446.569 3.362 40 0 IGABRN COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1C ZINC000225282890 557708841 /nfs/dbraw/zinc/70/88/41/557708841.db2.gz NBHSNODVGWSFMW-FGZHOGPDSA-N 0 0 435.553 3.491 40 0 IGABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccc(OC)c(OC)c3)ccc21 ZINC000225318317 557711210 /nfs/dbraw/zinc/71/12/10/557711210.db2.gz CPTUDGBKJSLHJB-GOSISDBHSA-N 0 0 432.542 3.433 40 0 IGABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 ZINC000225326166 557711521 /nfs/dbraw/zinc/71/15/21/557711521.db2.gz CRIAMVJKBUCTNL-MRXNPFEDSA-N 0 0 432.542 3.054 40 0 IGABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(OC)cc1 ZINC000225347409 557713039 /nfs/dbraw/zinc/71/30/39/557713039.db2.gz AOCHMHAOWPMZAX-ZWKOTPCHSA-N 0 0 428.529 3.415 40 0 IGABRN CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1F ZINC000225393897 557718084 /nfs/dbraw/zinc/71/80/84/557718084.db2.gz DHLCYJWXNXVMLS-UHFFFAOYSA-N 0 0 426.513 3.493 40 0 IGABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)[nH]1 ZINC000225412094 557719705 /nfs/dbraw/zinc/71/97/05/557719705.db2.gz HKWSKRVNTQIJQJ-RBUKOAKNSA-N 0 0 427.555 3.267 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccccc1OC ZINC000225413413 557720016 /nfs/dbraw/zinc/72/00/16/557720016.db2.gz XMABKUCJQWAEEC-UHFFFAOYSA-N 0 0 432.542 3.450 40 0 IGABRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1NS(C)(=O)=O ZINC000225445535 557723564 /nfs/dbraw/zinc/72/35/64/557723564.db2.gz ZZIGEJMZYDFACR-MOPGFXCFSA-N 0 0 427.555 3.267 40 0 IGABRN CC[C@@H](C(=O)Nc1nnc(SC(C)C)s1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000225465791 557726063 /nfs/dbraw/zinc/72/60/63/557726063.db2.gz YJCNRFYGUXGZPP-ZDUSSCGKSA-N 0 0 432.568 3.361 40 0 IGABRN CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1OC ZINC000225496680 557730440 /nfs/dbraw/zinc/73/04/40/557730440.db2.gz KFGRPFFGBGAOAF-QFIPXVFZSA-N 0 0 432.520 3.460 40 0 IGABRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000225505341 557731469 /nfs/dbraw/zinc/73/14/69/557731469.db2.gz AVBHTOPFNLCJEV-UHFFFAOYSA-N 0 0 426.922 3.179 40 0 IGABRN CCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225506878 557731695 /nfs/dbraw/zinc/73/16/95/557731695.db2.gz RWCFHZSEXJVQSW-HXUWFJFHSA-N 0 0 430.570 3.235 40 0 IGABRN COc1cc(OC)cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)c1 ZINC000225509489 557732170 /nfs/dbraw/zinc/73/21/70/557732170.db2.gz SHMCDMHMTWZGAF-SFHVURJKSA-N 0 0 428.529 3.333 40 0 IGABRN CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)Cc1ccccc1 ZINC000225542881 557739411 /nfs/dbraw/zinc/73/94/11/557739411.db2.gz UNWXGBKXUKHOGN-UHFFFAOYSA-N 0 0 436.946 3.259 40 0 IGABRN CCOc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000225547897 557740318 /nfs/dbraw/zinc/74/03/18/557740318.db2.gz IGQJZCSPQXFHLG-QGZVFWFLSA-N 0 0 436.961 3.456 40 0 IGABRN CCSc1nnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)s1 ZINC000225557506 557742011 /nfs/dbraw/zinc/74/20/11/557742011.db2.gz NRGGWQVRSBSLMD-NSHDSACASA-N 0 0 447.007 3.343 40 0 IGABRN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000225571233 557744458 /nfs/dbraw/zinc/74/44/58/557744458.db2.gz PEBGKQHGWRAXDG-LJQANCHMSA-N 0 0 432.542 3.369 40 0 IGABRN COc1ccc(Br)cc1S(=O)(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000225664338 557759135 /nfs/dbraw/zinc/75/91/35/557759135.db2.gz BWJNUUWPXPOGSX-UHFFFAOYSA-N 0 0 438.303 3.295 40 0 IGABRN Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(I)cc3)ccc21 ZINC000225672316 557760777 /nfs/dbraw/zinc/76/07/77/557760777.db2.gz PPBYQUONTBNRGT-UHFFFAOYSA-N 0 0 446.291 3.005 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N(C)Cc1ccccc1 ZINC000225682545 557762502 /nfs/dbraw/zinc/76/25/02/557762502.db2.gz YYDGQIAOUXIHMK-UHFFFAOYSA-N 0 0 430.570 3.461 40 0 IGABRN COc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc3c(c1)sc(=O)n3C)CC(C)(C)O2 ZINC000225681977 557762552 /nfs/dbraw/zinc/76/25/52/557762552.db2.gz NSAUIKSVJXLNRI-OAHLLOKOSA-N 0 0 434.539 3.189 40 0 IGABRN CC(C)n1c2ccc(S(=O)(=O)NCc3ccc(-n4ccnc4)cc3)cc2sc1=O ZINC000225712368 557767422 /nfs/dbraw/zinc/76/74/22/557767422.db2.gz DASWNMWLRMDKPB-UHFFFAOYSA-N 0 0 428.539 3.308 40 0 IGABRN CCc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 ZINC000225769375 557775149 /nfs/dbraw/zinc/77/51/49/557775149.db2.gz YPCOHHYCUXCTCE-OAHLLOKOSA-N 0 0 436.961 3.414 40 0 IGABRN COCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 ZINC000225782236 557777479 /nfs/dbraw/zinc/77/74/79/557777479.db2.gz MRUMVVUOZNRZFZ-UHFFFAOYSA-N 0 0 426.947 3.080 40 0 IGABRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000030620117 557777814 /nfs/dbraw/zinc/77/78/14/557777814.db2.gz WDASWFAOXTXISA-AWEZNQCLSA-N 0 0 442.368 3.009 40 0 IGABRN COc1cccc(OC)c1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1 ZINC000225919855 557792449 /nfs/dbraw/zinc/79/24/49/557792449.db2.gz CEVJEFTVKWDKHG-SFHVURJKSA-N 0 0 446.569 3.038 40 0 IGABRN CC(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000225926310 557793117 /nfs/dbraw/zinc/79/31/17/557793117.db2.gz BREKVWAWJZSDJW-UHFFFAOYSA-N 0 0 429.542 3.301 40 0 IGABRN C[C@@H]1CCCCN1c1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2)n1 ZINC000225927616 557793419 /nfs/dbraw/zinc/79/34/19/557793419.db2.gz OQECJYMRSGSHOY-QGZVFWFLSA-N 0 0 426.590 3.179 40 0 IGABRN Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)N2CCc3cc(Br)ccc32)c1 ZINC000225927895 557793480 /nfs/dbraw/zinc/79/34/80/557793480.db2.gz KPXICGIEGGYWIB-UHFFFAOYSA-N 0 0 437.359 3.276 40 0 IGABRN FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938478 557794778 /nfs/dbraw/zinc/79/47/78/557794778.db2.gz FCGKQTBXIKKCPE-UHFFFAOYSA-N 0 0 431.871 3.472 40 0 IGABRN COc1ccc([C@@H](CC(=O)Nc2cccc(Br)c2)NS(C)(=O)=O)cc1 ZINC000225955666 557796769 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437.496 3.197 40 0 IGABRN CCOc1cccc(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)c1 ZINC000022380405 521381565 /nfs/dbraw/zinc/38/15/65/521381565.db2.gz LYYNAHNMQIQULU-UHFFFAOYSA-N 0 0 427.320 3.253 40 0 IGABRN CCN(c1cc(OC)c(OC)cc1C(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O ZINC000022251798 521478613 /nfs/dbraw/zinc/47/86/13/521478613.db2.gz IYWNUNDPWVRONV-UHFFFAOYSA-N 0 0 426.922 3.073 40 0 IGABRN CCN(c1cc(OC)c(OC)cc1C(=O)NCc1ccccc1Cl)S(C)(=O)=O ZINC000022251794 521479397 /nfs/dbraw/zinc/47/93/97/521479397.db2.gz OAMGUOQDJQZBRU-UHFFFAOYSA-N 0 0 426.922 3.073 40 0 IGABRN CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000022252068 521480776 /nfs/dbraw/zinc/48/07/76/521480776.db2.gz ZQILCQIWBQKHPU-UHFFFAOYSA-N 0 0 442.921 3.404 40 0 IGABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000022509047 521515417 /nfs/dbraw/zinc/51/54/17/521515417.db2.gz GUCDNACGNMDMTH-UHFFFAOYSA-N 0 0 430.526 3.431 40 0 IGABRN CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000022252540 521658589 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IGABRN CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC)c1ccc(C)cc1 ZINC000020493600 522685083 /nfs/dbraw/zinc/68/50/83/522685083.db2.gz FOXSGIVJTISGPU-LJQANCHMSA-N 0 0 432.542 3.190 40 0 IGABRN CN(CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 ZINC000012611657 522860537 /nfs/dbraw/zinc/86/05/37/522860537.db2.gz AKGWOUOXYGFCOF-UHFFFAOYSA-N 0 0 435.977 3.381 40 0 IGABRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 ZINC000020459522 523225280 /nfs/dbraw/zinc/22/52/80/523225280.db2.gz HKZCNPJQXAJJQW-KRWDZBQOSA-N 0 0 429.325 3.179 40 0 IGABRN COCCCn1c(SCC(=O)N2CCCC[C@@H]2C)nc2sc3c(c2c1=O)CCC3 ZINC000012498490 523500946 /nfs/dbraw/zinc/50/09/46/523500946.db2.gz JQJDEQVHCOTJBO-AWEZNQCLSA-N 0 0 435.615 3.476 40 0 IGABRN CCn1ccnc1CN1CCC[C@@H](c2ncc(C(=O)NCc3cccc(OC)c3)c(C)n2)C1 ZINC000072345558 523533324 /nfs/dbraw/zinc/53/33/24/523533324.db2.gz TZRICKCENSUUKY-HXUWFJFHSA-N 0 0 448.571 3.320 40 0 IGABRN CC[C@H](C(=O)NCc1ccc(-n2ccnc2C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000022512085 523783882 /nfs/dbraw/zinc/78/38/82/523783882.db2.gz QPZVLOQMAGCGLO-JOCHJYFZSA-N 0 0 440.569 3.350 40 0 IGABRN CC[C@H](C(=O)NCc1ccccc1-n1ccnc1C)N(c1ccccc1)S(C)(=O)=O ZINC000020451235 523785933 /nfs/dbraw/zinc/78/59/33/523785933.db2.gz CCRJOAYWDRTTOT-HXUWFJFHSA-N 0 0 426.542 3.042 40 0 IGABRN COc1ccc(C2=NN(CC(=O)NCc3ccco3)C(=O)c3cc4ccccc4n3C2)cc1 ZINC000012113618 523878279 /nfs/dbraw/zinc/87/82/79/523878279.db2.gz YAVVKRTXIOUGAJ-UHFFFAOYSA-N 0 0 442.475 3.419 40 0 IGABRN COc1ccc(CCC(=O)N2Cc3cn(C)nc3[C@@H](C(=O)Nc3ccccc3OC)C2)cc1 ZINC000072345623 523922500 /nfs/dbraw/zinc/92/25/00/523922500.db2.gz DBHYRARFXLRTND-FQEVSTJZSA-N 0 0 448.523 3.135 40 0 IGABRN CCc1ccc(S(=O)(=O)CCC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 ZINC000012186813 524009787 /nfs/dbraw/zinc/00/97/87/524009787.db2.gz JBEPZOAKAIGGOC-UHFFFAOYSA-N 0 0 440.569 3.101 40 0 IGABRN COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000022227087 524196613 /nfs/dbraw/zinc/19/66/13/524196613.db2.gz NQFJKHQRGFJQAO-UHFFFAOYSA-N 0 0 436.961 3.496 40 0 IGABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2n1 ZINC000012257828 524206004 /nfs/dbraw/zinc/20/60/04/524206004.db2.gz NVDQBEHGKOFMPL-LBPRGKRZSA-N 0 0 428.411 3.374 40 0 IGABRN C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)c4cccs4)CC3)n2)C1 ZINC000012133484 524249831 /nfs/dbraw/zinc/24/98/31/524249831.db2.gz VUKQRVYUXLCWOJ-OAHLLOKOSA-N 0 0 448.614 3.198 40 0 IGABRN Cc1cc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(C)(=O)=O)c(C)c1 ZINC000022390423 524277209 /nfs/dbraw/zinc/27/72/09/524277209.db2.gz MDOPLYYKVIVSDO-UHFFFAOYSA-N 0 0 443.569 3.253 40 0 IGABRN COc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000020486971 524358578 /nfs/dbraw/zinc/35/85/78/524358578.db2.gz GHHWBZZTHXRBJC-UHFFFAOYSA-N 0 0 431.341 3.427 40 0 IGABRN COc1ccccc1CNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466127 524470976 /nfs/dbraw/zinc/47/09/76/524470976.db2.gz XLWLVPAMEBAFSB-KVOGDYCRSA-N 0 0 430.589 3.276 40 0 biogenic,in-vitro IGABRN 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0 0 436.599 3.127 40 0 IGABRN Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c(C)c1 ZINC000020489785 525716483 /nfs/dbraw/zinc/71/64/83/525716483.db2.gz ADIZTKJFBQOPAW-MRXNPFEDSA-N 0 0 436.961 3.469 40 0 IGABRN Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)(C)C)c3ccc(C(C)C)cc3)n2)o1 ZINC000012476359 525864448 /nfs/dbraw/zinc/86/44/48/525864448.db2.gz OOPNTOUDNCPIBI-UHFFFAOYSA-N 0 0 438.532 3.313 40 0 IGABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)cc1 ZINC000223150814 525912532 /nfs/dbraw/zinc/91/25/32/525912532.db2.gz VNVNOLVIIFMKBJ-ZEQRLZLVSA-N 0 0 447.608 3.485 40 0 IGABRN C[C@H](C(=O)NC1CC1)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466838 526027848 /nfs/dbraw/zinc/02/78/48/526027848.db2.gz FSNBIFHYZFKVOV-HEMHNPFCSA-N 0 0 426.601 3.452 40 0 biogenic,in-vitro IGABRN S=C(NC[C@H]1CCCO1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCC2)n1 ZINC000225907414 526384519 /nfs/dbraw/zinc/38/45/19/526384519.db2.gz PDYQLTFBNRTRLS-LJQANCHMSA-N 0 0 438.601 3.453 40 0 IGABRN O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)Nc1ccc(Cl)cc1 ZINC000022249330 526957056 /nfs/dbraw/zinc/95/70/56/526957056.db2.gz JMDOIBHAYHIUKZ-UHFFFAOYSA-N 0 0 445.324 3.032 40 0 IGABRN Cc1nccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000020452166 527369330 /nfs/dbraw/zinc/36/93/30/527369330.db2.gz OFFUAXAPTQVCJO-UHFFFAOYSA-N 0 0 446.960 3.225 40 0 IGABRN Nc1nc(N2CCCCC2)nc2c1[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 ZINC000020674068 527554770 /nfs/dbraw/zinc/55/47/70/527554770.db2.gz PBAFBKPWPQXHRX-ZDUSSCGKSA-N 0 0 435.315 3.420 40 0 IGABRN Cn1ncc(Cl)c1[C@H]1CCCCCN1S(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000012159873 527571730 /nfs/dbraw/zinc/57/17/30/527571730.db2.gz GPCGJEQIYLQXGD-OAHLLOKOSA-N 0 0 440.978 3.293 40 0 IGABRN CCC[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000013505133 535722226 /nfs/dbraw/zinc/72/22/26/535722226.db2.gz NKOWCZLTYCSBEK-HXUWFJFHSA-N 0 0 438.507 3.253 40 0 IGABRN COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000013679904 537086232 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ZINC000019372900 556749374 /nfs/dbraw/zinc/74/93/74/556749374.db2.gz RCDBAOCVUBPQCH-UHFFFAOYSA-N 0 0 440.551 3.326 40 0 IGABRN CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000000921021 556750387 /nfs/dbraw/zinc/75/03/87/556750387.db2.gz RABOTGMGXVACFU-OAQYLSRUSA-N 0 0 434.583 3.073 40 0 IGABRN NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2ccc(F)cc2)CCO1 ZINC000019374216 556750734 /nfs/dbraw/zinc/75/07/34/556750734.db2.gz IXDOTGLHOKTJRG-SANMLTNESA-N 0 0 432.495 3.361 40 0 IGABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000000924167 556751894 /nfs/dbraw/zinc/75/18/94/556751894.db2.gz FTSPKGVFPXNEAV-WOJBJXKFSA-N 0 0 429.586 3.125 40 0 IGABRN O=C(CCn1ncc2ccccc21)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 ZINC000019376604 556752345 /nfs/dbraw/zinc/75/23/45/556752345.db2.gz YLHBDDMIORAIBW-HXUWFJFHSA-N 0 0 435.459 3.139 40 0 IGABRN O=C(CSc1nnc(-c2ccc(O)cc2)n1C[C@H]1CCCO1)NCc1cccs1 ZINC000000928754 556754733 /nfs/dbraw/zinc/75/47/33/556754733.db2.gz 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436.491 3.205 40 0 IGABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Br)C1=O ZINC000409070809 556944976 /nfs/dbraw/zinc/94/49/76/556944976.db2.gz MCEYBTKTQFJMCE-VVESDKHQSA-N 0 0 430.276 3.064 40 0 IGABRN COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)OC ZINC000409072292 556946036 /nfs/dbraw/zinc/94/60/36/556946036.db2.gz JNXDBQSIYJHTHK-UHFFFAOYSA-N 0 0 445.276 3.491 40 0 IGABRN COCCNC(=O)c1ccc(C2CCN(C(=O)c3cc4cc(C)ccc4n3C)CC2)nc1 ZINC000072374408 556947873 /nfs/dbraw/zinc/94/78/73/556947873.db2.gz CGRIZCANYDPISY-UHFFFAOYSA-N 0 0 434.540 3.278 40 0 IGABRN CNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000409085749 556948864 /nfs/dbraw/zinc/94/88/64/556948864.db2.gz DAVAIUSFBSRWPE-UHFFFAOYSA-N 0 0 431.739 3.039 40 0 IGABRN Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(C(=O)COCCN3CCCC3=O)C2)n1 ZINC000072374802 556948938 /nfs/dbraw/zinc/94/89/38/556948938.db2.gz CWVDUXDMFKNQBI-NRFANRHFSA-N 0 0 439.531 3.075 40 0 IGABRN COc1ccc(S[C@H](C)C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000019934636 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448.450 3.240 40 0 IGABRN Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1C ZINC000408644802 556025092 /nfs/dbraw/zinc/02/50/92/556025092.db2.gz ICXKDTCRHKIBQS-AWEZNQCLSA-N 0 0 449.301 3.189 40 0 IGABRN O=C(Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408644852 556025114 /nfs/dbraw/zinc/02/51/14/556025114.db2.gz TVOVVJUYCKVCBY-SFHVURJKSA-N 0 0 440.455 3.441 40 0 IGABRN CCCOC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)OCCC ZINC000005004766 556027438 /nfs/dbraw/zinc/02/74/38/556027438.db2.gz WJVGVZHPLAQWLG-WOJBJXKFSA-N 0 0 442.464 3.344 40 0 IGABRN CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000408651479 556027744 /nfs/dbraw/zinc/02/77/44/556027744.db2.gz BATDVJXZQCYWGF-OYRHEFFESA-N 0 0 448.475 3.364 40 0 IGABRN COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 ZINC000408651834 556028074 /nfs/dbraw/zinc/02/80/74/556028074.db2.gz FIIFMCRCQXYTGS-HOCLYGCPSA-N 0 0 430.888 3.440 40 0 IGABRN 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ZINC000408660965 556041260 /nfs/dbraw/zinc/04/12/60/556041260.db2.gz NWTPGIFIRFHWDB-ORYQWCPZSA-N 0 0 434.492 3.400 40 0 IGABRN C[C@H](NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccccc1 ZINC000408660962 556041333 /nfs/dbraw/zinc/04/13/33/556041333.db2.gz NWTPGIFIRFHWDB-NDXORKPFSA-N 0 0 434.492 3.400 40 0 IGABRN COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408661755 556042762 /nfs/dbraw/zinc/04/27/62/556042762.db2.gz HNBDSPKJYXFJCJ-UHFFFAOYSA-N 0 0 432.860 3.336 40 0 IGABRN Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c1 ZINC000408663081 556045723 /nfs/dbraw/zinc/04/57/23/556045723.db2.gz KXKACACBXHGQAV-UHFFFAOYSA-N 0 0 426.469 3.461 40 0 IGABRN CCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(OC)cc2)cc1 ZINC000408663205 556046010 /nfs/dbraw/zinc/04/60/10/556046010.db2.gz MEHNSUZEXURLMP-UHFFFAOYSA-N 0 0 442.468 3.163 40 0 IGABRN CC(C)OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408663796 556047201 /nfs/dbraw/zinc/04/72/01/556047201.db2.gz 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CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000408681485 556076358 /nfs/dbraw/zinc/07/63/58/556076358.db2.gz WSNKIGZQJXHAFH-UHFFFAOYSA-N 0 0 448.944 3.434 40 0 IGABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCC(=O)N1CCCC1 ZINC000035334687 556079541 /nfs/dbraw/zinc/07/95/41/556079541.db2.gz CDOUHOQXNZDSBP-HXUWFJFHSA-N 0 0 427.526 3.456 40 0 IGABRN Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000408684879 556084928 /nfs/dbraw/zinc/08/49/28/556084928.db2.gz OIVUMQVAAXWHIK-NRFANRHFSA-N 0 0 430.508 3.476 40 0 IGABRN CSCC[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000408685799 556085584 /nfs/dbraw/zinc/08/55/84/556085584.db2.gz RNVNIKBFIPDTGQ-BONVTDFDSA-N 0 0 431.341 3.006 40 0 IGABRN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000408693198 556093522 /nfs/dbraw/zinc/09/35/22/556093522.db2.gz KHFZMKKOPLBVQB-UHFFFAOYSA-N 0 0 445.324 3.275 40 0 IGABRN CC[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1nnc(C)s1)C2=O)C(=O)c1ccccc1 ZINC000408690999 556093768 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IGABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 ZINC000408710009 556116344 /nfs/dbraw/zinc/11/63/44/556116344.db2.gz LCRALQQRYMEYLC-GOSISDBHSA-N 0 0 445.519 3.484 40 0 IGABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(C)cc2)c1 ZINC000408710084 556116521 /nfs/dbraw/zinc/11/65/21/556116521.db2.gz OCDGUGGHGRVTBT-UHFFFAOYSA-N 0 0 431.492 3.189 40 0 IGABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2C)cc1 ZINC000408710157 556116881 /nfs/dbraw/zinc/11/68/81/556116881.db2.gz QJGTUCOWLBDMSF-UHFFFAOYSA-N 0 0 431.492 3.189 40 0 IGABRN COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1 ZINC000408709733 556117812 /nfs/dbraw/zinc/11/78/12/556117812.db2.gz GYPJZPLXSGPFPY-SFHVURJKSA-N 0 0 445.519 3.484 40 0 IGABRN CCc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCc2ccccc2OC)cc1 ZINC000408709776 556117827 /nfs/dbraw/zinc/11/78/27/556117827.db2.gz HRRXNMDDTQFHQE-UHFFFAOYSA-N 0 0 445.519 3.443 40 0 IGABRN COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)cc1 ZINC000408710376 556118138 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434.558 3.298 40 0 IGABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1 ZINC000260810725 557857048 /nfs/dbraw/zinc/85/70/48/557857048.db2.gz JRZCGQNUNNRATQ-STQMWFEESA-N 0 0 442.484 3.014 40 0 IGABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)CC(C)(C)O2 ZINC000260815124 557857350 /nfs/dbraw/zinc/85/73/50/557857350.db2.gz SGYWNZPMUNXFGR-ICSRJNTNSA-N 0 0 432.542 3.046 40 0 IGABRN COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1OC ZINC000260826459 557858433 /nfs/dbraw/zinc/85/84/33/557858433.db2.gz BCWKJWTVQBKHQI-MRXNPFEDSA-N 0 0 446.569 3.226 40 0 IGABRN Cc1ccc(C)c(N(CCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 ZINC000260826455 557858536 /nfs/dbraw/zinc/85/85/36/557858536.db2.gz BAAFBGNGHQWSCM-GOSISDBHSA-N 0 0 446.569 3.498 40 0 IGABRN COc1ccc(N(CCCC(=O)N[C@H]2CCCc3cc(OC)ccc32)S(C)(=O)=O)cc1 ZINC000260839114 557859104 /nfs/dbraw/zinc/85/91/04/557859104.db2.gz ILSZZGRAUXPOQV-QFIPXVFZSA-N 0 0 446.569 3.444 40 0 IGABRN CCc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000260841075 557860952 /nfs/dbraw/zinc/86/09/52/557860952.db2.gz JEVLCUBXAIWSNA-CVEARBPZSA-N 0 0 434.558 3.298 40 0 IGABRN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000260846744 557861977 /nfs/dbraw/zinc/86/19/77/557861977.db2.gz YPUMOHRVHGHEAV-IRXDYDNUSA-N 0 0 434.558 3.353 40 0 IGABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCOc1ccc(C(C)(C)C)cc1)O2 ZINC000260853443 557862381 /nfs/dbraw/zinc/86/23/81/557862381.db2.gz YLVGJBKDHSHBON-OAQYLSRUSA-N 0 0 446.569 3.015 40 0 IGABRN CCOC(=O)O[C@@H]1C=C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C(=O)OCC)[C@@H]1O5 ZINC000253503911 560038569 /nfs/dbraw/zinc/03/85/69/560038569.db2.gz AXDFNJWJUFBIEX-OSTVXBQCSA-N 0 0 429.469 3.209 40 0 biogenic,in-vitro IGABRN CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NCCCn1ccnc1 ZINC000010013878 562978223 /nfs/dbraw/zinc/97/82/23/562978223.db2.gz JFFUEURZPBXQEG-JOCHJYFZSA-N 0 0 447.539 3.096 40 0 IGABRN Cc1onc(C(C)C)c1C(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 ZINC000585285795 568619077 /nfs/dbraw/zinc/61/90/77/568619077.db2.gz MQDZZLFQXWBCSC-QFIPXVFZSA-N 0 0 449.935 3.234 40 0 IGABRN COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000260892640 568627571 /nfs/dbraw/zinc/62/75/71/568627571.db2.gz BKKKVOASUNUGTI-MRXNPFEDSA-N 0 0 447.557 3.097 40 0 IGABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cc1 ZINC000260897268 568628484 /nfs/dbraw/zinc/62/84/84/568628484.db2.gz KKJWSRNJOFQGGT-GFCCVEGCSA-N 0 0 432.420 3.387 40 0 IGABRN C[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc2c(c1)CCC2 ZINC000260924453 568629953 /nfs/dbraw/zinc/62/99/53/568629953.db2.gz HWAAKJNAQYDJNN-ZUOKHONESA-N 0 0 434.945 3.233 40 0 IGABRN COc1ccc(N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1OC ZINC000260941263 568631174 /nfs/dbraw/zinc/63/11/74/568631174.db2.gz SEPIHSSIRCPUFJ-QGZVFWFLSA-N 0 0 434.558 3.272 40 0 IGABRN COc1ccc(OC)c(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)c1 ZINC000260951428 568631773 /nfs/dbraw/zinc/63/17/73/568631773.db2.gz YBBFOKGLUMXBCN-CVEARBPZSA-N 0 0 446.569 3.224 40 0 IGABRN O=C1C[C@@H](Sc2n[nH]c(-c3ccncc3)n2)C(=O)N1c1ccc(Br)cc1 ZINC000256055651 568663686 /nfs/dbraw/zinc/66/36/86/568663686.db2.gz OOQOIVVYSUOROL-CYBMUJFWSA-N 0 0 430.287 3.053 40 0 IGABRN Cc1ccccc1-c1cccc(C[C@H]2C(=O)N(C)CCN2C(=O)Cc2nnc(C(C)C)[nH]2)c1 ZINC000257200331 568665145 /nfs/dbraw/zinc/66/51/45/568665145.db2.gz ACWWPQLDSSVOKQ-QFIPXVFZSA-N 0 0 445.567 3.358 40 0 IGABRN CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(Cc1ccccc1N1CCCC1)CC2 ZINC000257204996 568667638 /nfs/dbraw/zinc/66/76/38/568667638.db2.gz AXERAWJGCYIMOO-HXUWFJFHSA-N 0 0 434.588 3.013 40 0 IGABRN O=C(COc1ccccc1F)N1CCC(c2n[nH]cc2C(=O)N2CCCCCC2)CC1 ZINC000257211055 568670178 /nfs/dbraw/zinc/67/01/78/568670178.db2.gz BXIMDCIJJIKMFK-UHFFFAOYSA-N 0 0 428.508 3.350 40 0 IGABRN CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)c2cnc(C)cn2)CC1 ZINC000257211463 568670401 /nfs/dbraw/zinc/67/04/01/568670401.db2.gz BYYAQBLMRZWWKZ-UHFFFAOYSA-N 0 0 443.551 3.448 40 0 IGABRN Cc1nc2cc([C@H]3CCN(C(=O)c4ccccc4)C3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257215436 568672372 /nfs/dbraw/zinc/67/23/72/568672372.db2.gz CQCNBIOUYLSRKM-FQEVSTJZSA-N 0 0 433.556 3.433 40 0 IGABRN NC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)c4n[nH]c5c4CCCCC5)CCO3)n2)cc1 ZINC000257217358 568672961 /nfs/dbraw/zinc/67/29/61/568672961.db2.gz CYPRONGVLISQON-JOCHJYFZSA-N 0 0 445.523 3.053 40 0 IGABRN CNc1cc([C@]2(C)CCCN(C(=O)C3(c4ccc(OC)cc4)CCOCC3)C2)nc(C)n1 ZINC000257217983 568673292 /nfs/dbraw/zinc/67/32/92/568673292.db2.gz DBKNJWPRWJNILZ-XMMPIXPASA-N 0 0 438.572 3.464 40 0 IGABRN C[C@]12C[C@H](c3ccccc3)C[C@](C)(O1)[C@@H](O)[C@H](CNS(=O)(=O)c1cccnc1)CC2 ZINC000257227198 568677555 /nfs/dbraw/zinc/67/75/55/568677555.db2.gz FOBJTWALNFCLMP-KHKYPALMSA-N 0 0 430.570 3.242 40 0 IGABRN Cc1nc2ccccn2c1CC(=O)N1CCO[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000257233317 568680690 /nfs/dbraw/zinc/68/06/90/568680690.db2.gz GOSQYQQMRPLEOB-FQEVSTJZSA-N 0 0 428.496 3.319 40 0 IGABRN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCNC(=O)[C@@H]1Cc1ccccc1-c1ccccc1 ZINC000257235463 568681677 /nfs/dbraw/zinc/68/16/77/568681677.db2.gz GXZDKBLHFOQFCP-UPVQGACJSA-N 0 0 439.515 3.349 40 0 IGABRN O=S(=O)(Cc1ccccc1F)N1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257248817 568687882 /nfs/dbraw/zinc/68/78/82/568687882.db2.gz JFIXQDBLUWOUCA-UHFFFAOYSA-N 0 0 427.505 3.464 40 0 IGABRN Cc1nc(C)n(CCC(=O)N2CCO[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)n1 ZINC000257249328 568688127 /nfs/dbraw/zinc/68/81/27/568688127.db2.gz JHSONDCQKORGQA-QHCPKHFHSA-N 0 0 437.519 3.318 40 0 IGABRN CC(=O)N[C@H]1CC[C@](CNC(=O)COc2ccccc2Cl)(c2ccccc2)CC[C@@H]1O ZINC000257249110 568688129 /nfs/dbraw/zinc/68/81/29/568688129.db2.gz JGVUUOLGIOXEEM-HFMPRLQTSA-N 0 0 444.959 3.213 40 0 IGABRN O=C(C[C@@H]1NC(=O)c2ccccc21)N1CCNC(=O)[C@H]1Cc1ccccc1-c1ccccc1 ZINC000257251660 568689429 /nfs/dbraw/zinc/68/94/29/568689429.db2.gz JRQDVRMNEDOSMA-BJKOFHAPSA-N 0 0 439.515 3.098 40 0 IGABRN O=C(c1n[nH]c2c1CCC2)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)n[nH]2)C1 ZINC000257251899 568689520 /nfs/dbraw/zinc/68/95/20/568689520.db2.gz JSTVSAPXVDORIR-FQEVSTJZSA-N 0 0 441.919 3.110 40 0 IGABRN O=C(c1sc2ncccc2c1[C@H]1CN(Cc2ccc(F)cc2)CCO1)N1CCOCC1 ZINC000257253757 568690374 /nfs/dbraw/zinc/69/03/74/568690374.db2.gz KAENFRBTNJBQQH-LJQANCHMSA-N 0 0 441.528 3.481 40 0 IGABRN Cc1nc(C)n(C[C@H](C)C(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)n1 ZINC000257255097 568691080 /nfs/dbraw/zinc/69/10/80/568691080.db2.gz KGCCNNKZXMAGJT-MHECFPHRSA-N 0 0 445.567 3.110 40 0 IGABRN CCN1CCN(C(=O)c2cc(C)nc(N)n2)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000257259499 568692633 /nfs/dbraw/zinc/69/26/33/568692633.db2.gz KYQRICZGQZEABP-LJQANCHMSA-N 0 0 435.553 3.011 40 0 IGABRN Cc1cc(C)nc(Nc2ccc([C@H]3CN(CC(=O)Nc4ccccc4F)CCO3)nc2)n1 ZINC000257261366 568693778 /nfs/dbraw/zinc/69/37/78/568693778.db2.gz LHACEGAKCFXFNW-OAQYLSRUSA-N 0 0 436.491 3.383 40 0 IGABRN COc1cccc(CC(=O)N2CCO[C@@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)c1 ZINC000257263884 568694846 /nfs/dbraw/zinc/69/48/46/568694846.db2.gz LRWHZJIKNKJMCS-JOCHJYFZSA-N 0 0 433.512 3.383 40 0 IGABRN COCCc1ncc(CN2CCO[C@H](c3cc(Nc4ncc(C)s4)cc(C)n3)C2)cn1 ZINC000257265502 568695595 /nfs/dbraw/zinc/69/55/95/568695595.db2.gz LYWYRFVHWRGCPQ-FQEVSTJZSA-N 0 0 440.573 3.451 40 0 IGABRN O=C(Cc1csc(-c2ccccn2)n1)N1CCC(N2CCc3ccccc3C2=O)CC1 ZINC000257273795 568699396 /nfs/dbraw/zinc/69/93/96/568699396.db2.gz NIFLEWGWBOFLCH-UHFFFAOYSA-N 0 0 432.549 3.437 40 0 IGABRN COc1ccc(-c2cncc([C@H]3CN(C(=O)c4cnn5c4nc(C)cc5C)CCO3)n2)cc1 ZINC000257279389 568701959 /nfs/dbraw/zinc/70/19/59/568701959.db2.gz OGIIQPWSRSOHIT-JOCHJYFZSA-N 0 0 444.495 3.025 40 0 IGABRN COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)c2ccccc2Cn2ccnc2C)cc1 ZINC000257280537 568702394 /nfs/dbraw/zinc/70/23/94/568702394.db2.gz OLGSEZILLDNDRF-XMMPIXPASA-N 0 0 432.524 3.294 40 0 IGABRN O=C(Cn1ncc2ccccc2c1=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257286595 568705215 /nfs/dbraw/zinc/70/52/15/568705215.db2.gz PMEITCVWXNCPAM-NRFANRHFSA-N 0 0 432.455 3.478 40 0 IGABRN O=C(C[C@H]1CN(C(=O)c2ccccc2F)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 ZINC000257297998 568710320 /nfs/dbraw/zinc/71/03/20/568710320.db2.gz RJRKVIANXMNKFH-JTSKRJEESA-N 0 0 444.478 3.123 40 0 IGABRN CN1C(=O)CCCC[C@]12CN(C(=O)c1ccc(-n3cccn3)nc1)C[C@H]2c1ccc(F)cc1 ZINC000257301834 568712215 /nfs/dbraw/zinc/71/22/15/568712215.db2.gz SADPSAGNKHTYFV-SQJMNOBHSA-N 0 0 447.514 3.417 40 0 IGABRN O=C(CNC(=O)c1cncc(O)c1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257305172 568713551 /nfs/dbraw/zinc/71/35/51/568713551.db2.gz SOSIXEDOVCNHRK-LJQANCHMSA-N 0 0 440.887 3.113 40 0 IGABRN Cc1ccc(=O)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)n1 ZINC000257306971 568714384 /nfs/dbraw/zinc/71/43/84/568714384.db2.gz SWTBRALNIFJLMX-QGZVFWFLSA-N 0 0 426.904 3.190 40 0 IGABRN Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)c2)n1 ZINC000257308095 568714484 /nfs/dbraw/zinc/71/44/84/568714484.db2.gz TVJCONRRLLMFRT-QGZVFWFLSA-N 0 0 438.557 3.170 40 0 IGABRN O=C(c1cccc(Oc2ncccn2)c1)N1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257308640 568714878 /nfs/dbraw/zinc/71/48/78/568714878.db2.gz TXMPTGVIFMNAPX-SFHVURJKSA-N 0 0 429.480 3.248 40 0 IGABRN CCc1cc(CNC(=O)[C@@]2(C)CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)on1 ZINC000257312089 568716297 /nfs/dbraw/zinc/71/62/97/568716297.db2.gz UMMCTVUWIMWZAT-QHCPKHFHSA-N 0 0 441.507 3.130 40 0 IGABRN Cc1cc(Nc2cccc([C@H]3CN(S(=O)(=O)Cc4cccc(C)c4)CCO3)n2)nn1C ZINC000257311651 568716317 /nfs/dbraw/zinc/71/63/17/568716317.db2.gz UKLQHIMIDXYZNL-HXUWFJFHSA-N 0 0 441.557 3.079 40 0 IGABRN CCc1nnc(Nc2cccc([C@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)n2)s1 ZINC000257315568 568718054 /nfs/dbraw/zinc/71/80/54/568718054.db2.gz VBYSZZKXMCCZGX-MRXNPFEDSA-N 0 0 431.562 3.224 40 0 IGABRN Cc1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CCCC1 ZINC000257326413 568723127 /nfs/dbraw/zinc/72/31/27/568723127.db2.gz WXDFGMOMPPHPNW-LJQANCHMSA-N 0 0 438.547 3.392 40 0 IGABRN CNc1cc(C)nc([C@]2(C)CCCN(C(=O)C3(c4ccc(OC)cc4)CCOCC3)C2)n1 ZINC000257329063 568723893 /nfs/dbraw/zinc/72/38/93/568723893.db2.gz XIFNGGZYTSYPHA-XMMPIXPASA-N 0 0 438.572 3.464 40 0 IGABRN COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)CCN4C(=O)CCC4=O)C3)c2)c1 ZINC000257330555 568724671 /nfs/dbraw/zinc/72/46/71/568724671.db2.gz XOWYNGAUFQDGBR-IBGZPJMESA-N 0 0 435.524 3.311 40 0 IGABRN O=C(NCCN1CCOCC1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 ZINC000257331071 568725010 /nfs/dbraw/zinc/72/50/10/568725010.db2.gz XRGSLILPXIWPNS-UHFFFAOYSA-N 0 0 444.522 3.420 40 0 IGABRN CCOc1cc(-c2cc(-c3ccc4c(c3)n(CC)c(=O)n4CC)nn2CCO)ccc1O ZINC000257332486 568725415 /nfs/dbraw/zinc/72/54/15/568725415.db2.gz XXMUGZKEDQWJJM-UHFFFAOYSA-N 0 0 436.512 3.470 40 0 IGABRN Cc1cc(C)cc(C2(C(=O)N3CC[C@@]4(C3)CN(c3ccccc3)C(=O)CO4)CCOCC2)c1 ZINC000257333098 568725736 /nfs/dbraw/zinc/72/57/36/568725736.db2.gz YADNQQGKSPZMIH-AREMUKBSSA-N 0 0 448.563 3.386 40 0 IGABRN Cc1cc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4ccc(F)c(C)c4)CCO3)n2)nn1C ZINC000257332930 568725832 /nfs/dbraw/zinc/72/58/32/568725832.db2.gz XZJJAMJGENNLFP-IBGZPJMESA-N 0 0 445.520 3.077 40 0 IGABRN Cc1nc([C@@H]2CCN(C(=O)COc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCC1 ZINC000257334098 568726094 /nfs/dbraw/zinc/72/60/94/568726094.db2.gz YENKXDOLJRINLV-LJQANCHMSA-N 0 0 436.556 3.090 40 0 IGABRN NC(=O)CC1(COc2ccc(Cl)cc2)CCN(C(=O)COc2cccc(F)c2)CC1 ZINC000257338983 568728183 /nfs/dbraw/zinc/72/81/83/568728183.db2.gz YZSGMQFJNBVWEK-UHFFFAOYSA-N 0 0 434.895 3.421 40 0 IGABRN COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1 ZINC000257342559 568729626 /nfs/dbraw/zinc/72/96/26/568729626.db2.gz ZPFPANANSHQATO-HNNXBMFYSA-N 0 0 442.947 3.206 40 0 IGABRN CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261366172 568733760 /nfs/dbraw/zinc/73/37/60/568733760.db2.gz XSIWRRJXICBWTJ-JOCHJYFZSA-O 0 0 446.512 3.387 40 0 IGABRN CCOC(=O)c1cn(-c2nc(N)c(F)cc2F)c2cc(N3CC[C@H]3C)c(F)cc2c1=O ZINC000265540671 568738156 /nfs/dbraw/zinc/73/81/56/568738156.db2.gz MTYAQPPNTQGDBW-SNVBAGLBSA-N 0 0 432.402 3.161 40 0 IGABRN O=C(CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)NC1CC1 ZINC000044606708 568754638 /nfs/dbraw/zinc/75/46/38/568754638.db2.gz DOLPNGMQVSAVIX-DVTMXPNUSA-N 0 0 427.585 3.289 40 0 in-vitro IGABRN Cc1ccc(C(=O)NC[C@H]2CC[C@]3(COCCN(Cc4n[nH]c5ccccc54)C3)O2)cc1 ZINC000306127960 568764869 /nfs/dbraw/zinc/76/48/69/568764869.db2.gz GMAMXOOJQXISQA-NLFFAJNJSA-N 0 0 434.540 3.051 40 0 IGABRN COc1ncccc1-c1ccc2c(c1)[C@H]1CN(Cc3scnc3C)C[C@@H]1S2(=O)=O ZINC000306128432 568765114 /nfs/dbraw/zinc/76/51/14/568765114.db2.gz HADVFUMKJWEVKY-XLIONFOSSA-N 0 0 427.551 3.277 40 0 IGABRN Cc1nc(C(=O)N2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cs1 ZINC000306130774 568766498 /nfs/dbraw/zinc/76/64/98/568766498.db2.gz JOYMWLBKWKONRX-QAPCUYQASA-N 0 0 429.498 3.048 40 0 IGABRN COc1ccc(-c2nn(C)c3c2CN(C(=O)N2CCOCC2)C[C@@H]3c2ccccc2)cc1 ZINC000306132458 568767328 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PQTRFEZZYXZLCP-UHFFFAOYSA-N 0 0 427.320 3.107 40 0 IGABRN CC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1 ZINC000039964012 556631039 /nfs/dbraw/zinc/63/10/39/556631039.db2.gz XDHMSHJOGLEKRW-GHTZIAJQSA-N 0 0 432.480 3.334 40 0 IGABRN CCOc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985341 556631640 /nfs/dbraw/zinc/63/16/40/556631640.db2.gz MBPGATJCJOHDGD-UHFFFAOYSA-N 0 0 441.347 3.497 40 0 IGABRN CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(Cl)cc1)CC(=O)N2 ZINC000040390445 556637322 /nfs/dbraw/zinc/63/73/22/556637322.db2.gz HWZXAWRKTRYGOQ-CABCVRRESA-N 0 0 429.908 3.257 40 0 IGABRN CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000040390590 556637392 /nfs/dbraw/zinc/63/73/92/556637392.db2.gz MASOLMZISKZFHN-STQMWFEESA-N 0 0 447.898 3.396 40 0 IGABRN COc1ccc(CCn2ccc3nc4ncnn4c(-c4ccccc4OC)c3c2=O)cc1 ZINC000040398181 556640026 /nfs/dbraw/zinc/64/00/26/556640026.db2.gz GVCQZOZZKQOBRR-UHFFFAOYSA-N 0 0 427.464 3.366 40 0 IGABRN COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 ZINC000040399246 556641821 /nfs/dbraw/zinc/64/18/21/556641821.db2.gz GWHNZOBKMNMAST-ZDUSSCGKSA-N 0 0 439.859 3.240 40 0 IGABRN CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[nH]c(=O)c32)cc1 ZINC000040399825 556642395 /nfs/dbraw/zinc/64/23/95/556642395.db2.gz BYKSJGVMHLLBQM-QGZVFWFLSA-N 0 0 433.468 3.149 40 0 IGABRN COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N3)cc1 ZINC000040399883 556642680 /nfs/dbraw/zinc/64/26/80/556642680.db2.gz GDAJJXFQDNUZCU-HNNXBMFYSA-N 0 0 439.859 3.240 40 0 IGABRN COc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(C)cc4)[nH]c(=O)c32)c1 ZINC000040400521 556643300 /nfs/dbraw/zinc/64/33/00/556643300.db2.gz XMHRGIQBPLMNFU-MRXNPFEDSA-N 0 0 433.468 3.203 40 0 IGABRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(O)c(OC)c3)C2=O)cc1 ZINC000101029478 556644395 /nfs/dbraw/zinc/64/43/95/556644395.db2.gz UVOPOOFLTDESHU-ZLNRFVROSA-N 0 0 446.459 3.461 40 0 IGABRN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000043751059 556665043 /nfs/dbraw/zinc/66/50/43/556665043.db2.gz BIADNHHNTUJTCU-SFHVURJKSA-N 0 0 434.533 3.330 40 0 IGABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 ZINC000044855440 556671641 /nfs/dbraw/zinc/67/16/41/556671641.db2.gz SRQOICCTDMEECL-UTKZUKDTSA-N 0 0 444.553 3.249 40 0 IGABRN COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc(C)ccc2C)S(C)(=O)=O)cc1OC ZINC000044883611 556674743 /nfs/dbraw/zinc/67/47/43/556674743.db2.gz BXCKQVPKWWIAAO-IRXDYDNUSA-N 0 0 434.558 3.353 40 0 IGABRN CCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c1 ZINC000044885553 556675269 /nfs/dbraw/zinc/67/52/69/556675269.db2.gz IXKXAXCFRXFIIL-UHFFFAOYSA-N 0 0 434.533 3.083 40 0 IGABRN CC(C)(C)SCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000044901116 556677666 /nfs/dbraw/zinc/67/76/66/556677666.db2.gz JKXYVMNKLFYWAR-LJQANCHMSA-N 0 0 426.648 3.309 40 0 IGABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Br)cc1 ZINC000044903483 556679000 /nfs/dbraw/zinc/67/90/00/556679000.db2.gz GMIKNDQEJLZLPW-UHFFFAOYSA-N 0 0 427.320 3.397 40 0 IGABRN Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCCc1ccc(OC(C)C)cc1)O2 ZINC000044916577 556681548 /nfs/dbraw/zinc/68/15/48/556681548.db2.gz PRJCGEDDQNLUTR-QFIPXVFZSA-N 0 0 446.569 3.058 40 0 IGABRN COc1ccc([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000044933314 556682439 /nfs/dbraw/zinc/68/24/39/556682439.db2.gz ROMZIUSMSNBGMB-DJJJIMSYSA-N 0 0 438.933 3.143 40 0 IGABRN CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(OC)cc1 ZINC000044936520 556682625 /nfs/dbraw/zinc/68/26/25/556682625.db2.gz DLAAPBIDTRTBQN-LPHOPBHVSA-N 0 0 438.933 3.143 40 0 IGABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3ccn(C(F)F)n3)CC2)C1 ZINC000019019929 556693395 /nfs/dbraw/zinc/69/33/95/556693395.db2.gz DERFPGLFEWLNDZ-UHFFFAOYSA-N 0 0 432.471 3.473 40 0 IGABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000046576254 556693956 /nfs/dbraw/zinc/69/39/56/556693956.db2.gz KCIZKARUDVPHQX-UHFFFAOYSA-N 0 0 430.526 3.281 40 0 IGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1OC ZINC000000806904 556697351 /nfs/dbraw/zinc/69/73/51/556697351.db2.gz QOBBNVCZPVYQCU-UHFFFAOYSA-N 0 0 440.468 3.021 40 0 IGABRN COc1cc(CCC(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1 ZINC000019083145 556697631 /nfs/dbraw/zinc/69/76/31/556697631.db2.gz YRPDOYOKCDCIJL-UHFFFAOYSA-N 0 0 426.521 3.275 40 0 IGABRN CN(C)S(=O)(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)CC1 ZINC000019083425 556697884 /nfs/dbraw/zinc/69/78/84/556697884.db2.gz LLAIVOLTGRRJKT-LSDHHAIUSA-N 0 0 437.532 3.203 40 0 IGABRN Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)c3cccs3)C2)on1 ZINC000019122189 556701466 /nfs/dbraw/zinc/70/14/66/556701466.db2.gz FBPVEPYXBZEZFK-MRXNPFEDSA-N 0 0 439.541 3.358 40 0 IGABRN Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@H](C)N4CCCC4=O)C3)cc2)cc1 ZINC000019212310 556709722 /nfs/dbraw/zinc/70/97/22/556709722.db2.gz IHVXTZGGSIRTCK-CCLHPLFOSA-N 0 0 447.579 3.310 40 0 IGABRN CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)c2cccnc2)CCO1 ZINC000019212760 556710591 /nfs/dbraw/zinc/71/05/91/556710591.db2.gz KRMFKWHWRWGRML-SANMLTNESA-N 0 0 429.520 3.257 40 0 IGABRN O=C(c1ccc(CN2CCOCC2)cc1)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)n[nH]1 ZINC000257307645 556718002 /nfs/dbraw/zinc/71/80/02/556718002.db2.gz SZQMMPCUAAFQQQ-QFIPXVFZSA-N 0 0 449.530 3.344 40 0 IGABRN Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)[C@H]4CCCO4)CCO3)cc2)c1 ZINC000019235353 556719717 /nfs/dbraw/zinc/71/97/17/556719717.db2.gz LNEMTHGTTKNIKB-ZEQKJWHPSA-N 0 0 436.552 3.069 40 0 IGABRN COc1ccccc1C(=O)N1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C ZINC000019288621 556728860 /nfs/dbraw/zinc/72/88/60/556728860.db2.gz PQMBVJDYZJFHAF-HXUWFJFHSA-N 0 0 432.528 3.463 40 0 IGABRN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000019290211 556730128 /nfs/dbraw/zinc/73/01/28/556730128.db2.gz FRNMTOHSBQBVJV-NRFANRHFSA-N 0 0 432.528 3.220 40 0 IGABRN CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccc(OC)cc3)cc2c1 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556968672 /nfs/dbraw/zinc/96/86/72/556968672.db2.gz WCKKNSUYXHXILJ-LBPRGKRZSA-N 0 0 441.347 3.345 40 0 IGABRN CCOc1cccc(CNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000020036128 556970142 /nfs/dbraw/zinc/97/01/42/556970142.db2.gz KNVLOBQFXNZBDY-UHFFFAOYSA-N 0 0 431.341 3.475 40 0 IGABRN O=C(Cn1cc(C=C2SC(=O)NC2=O)c2cc(Br)ccc21)N1CCCC1 ZINC000409138127 556970427 /nfs/dbraw/zinc/97/04/27/556970427.db2.gz YZIFIDLEFWSLIV-CHHVJCJISA-N 0 0 434.315 3.350 40 0 IGABRN CCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3c(C)cccc3CC)cc2)C1 ZINC000409140171 556971869 /nfs/dbraw/zinc/97/18/69/556971869.db2.gz FLDYYQOGODXKPB-IBGZPJMESA-N 0 0 437.540 3.454 40 0 IGABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1N1CCCC1=O ZINC000020041654 556971939 /nfs/dbraw/zinc/97/19/39/556971939.db2.gz ORRVKOMGLOCWQH-UHFFFAOYSA-N 0 0 448.541 3.096 40 0 IGABRN COc1ccc(C)cc1NC(=O)Cn1nc(CNC(=O)c2ccccc2C)n(C)c1=S ZINC000409150303 556974744 /nfs/dbraw/zinc/97/47/44/556974744.db2.gz AXCWPKCJJQJMRR-UHFFFAOYSA-N 0 0 439.541 3.145 40 0 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QRQLWENJKMJQNO-UHFFFAOYSA-N 0 0 448.610 3.146 40 0 IGABRN Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(CC(=O)NCC4CC4)CC3)c12 ZINC000045188557 556685524 /nfs/dbraw/zinc/68/55/24/556685524.db2.gz HDTOSKAGTJSXCH-UHFFFAOYSA-N 0 0 447.583 3.466 40 0 IGABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 ZINC000000778575 556693211 /nfs/dbraw/zinc/69/32/11/556693211.db2.gz GAZRGBWFTWKHLO-UHFFFAOYSA-N 0 0 432.527 3.026 40 0 IGABRN CC(C)(C)C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(N)=O)c3)c2C1 ZINC000019081530 556696151 /nfs/dbraw/zinc/69/61/51/556696151.db2.gz SICQKLYSVPJLPE-UHFFFAOYSA-N 0 0 430.512 3.312 40 0 IGABRN O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000000800276 556696360 /nfs/dbraw/zinc/69/63/60/556696360.db2.gz WSGCLIXYVAVWSW-UHFFFAOYSA-N 0 0 432.489 3.484 40 0 IGABRN CC(C)C(=O)N1CCC(C[C@H]2CC(c3ccccc3)=NO2)(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000019085171 556698828 /nfs/dbraw/zinc/69/88/28/556698828.db2.gz OYJQNCDMSMWQEM-NHCUHLMSSA-N 0 0 441.572 3.130 40 0 IGABRN Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000019117812 556700284 /nfs/dbraw/zinc/70/02/84/556700284.db2.gz DPWFDHCKKXFKGW-MRXNPFEDSA-N 0 0 442.566 3.181 40 0 IGABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)on1 ZINC000019121243 556700875 /nfs/dbraw/zinc/70/08/75/556700875.db2.gz GHLCTUQEDZLSIN-UHFFFAOYSA-N 0 0 434.905 3.367 40 0 IGABRN COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2ccc(C)n(C)c2=O)c1 ZINC000019131779 556704355 /nfs/dbraw/zinc/70/43/55/556704355.db2.gz OTRJZFFXRAIPSL-UHFFFAOYSA-N 0 0 443.507 3.058 40 0 IGABRN O=C(CCn1cnc2ccccc21)N1CCNC(=O)[C@@H]1Cc1ccc(-c2cccnc2)cc1 ZINC000257323496 556704584 /nfs/dbraw/zinc/70/45/84/556704584.db2.gz WKLLJIMCJKHRKF-DEOSSOPVSA-N 0 0 439.519 3.058 40 0 IGABRN NC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C1 ZINC000257327229 556705159 /nfs/dbraw/zinc/70/51/59/556705159.db2.gz XAOHTEZENFKEPE-VWLOTQADSA-N 0 0 433.483 3.459 40 0 IGABRN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)cc1 ZINC000019135358 556705756 /nfs/dbraw/zinc/70/57/56/556705756.db2.gz WWLTWCAYIMUXAJ-QFIPXVFZSA-N 0 0 429.524 3.009 40 0 IGABRN COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCCN3CCOCC3)CCCO2)c1 ZINC000257334641 556706310 /nfs/dbraw/zinc/70/63/10/556706310.db2.gz YGTTTWFHKDVINI-SANMLTNESA-N 0 0 438.568 3.292 40 0 IGABRN COc1ccccc1[C@H]1CN(C(=O)c2cccc(Oc3ncccn3)c2)CCN1C(C)=O ZINC000257235806 556709688 /nfs/dbraw/zinc/70/96/88/556709688.db2.gz GZOODIGWGMVPPU-OAQYLSRUSA-N 0 0 432.480 3.323 40 0 IGABRN CCN1CCN(C(=O)c2cccnc2N)[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O ZINC000257234306 556709729 /nfs/dbraw/zinc/70/97/29/556709729.db2.gz GSXWVZOMPJHXNM-QHCPKHFHSA-N 0 0 444.535 3.255 40 0 IGABRN CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1 ZINC000019212462 556709992 /nfs/dbraw/zinc/70/99/92/556709992.db2.gz KFDLDBABHRGNQX-NFQMXDRXSA-N 0 0 447.579 3.180 40 0 IGABRN Cc1ccc(-c2n[nH]c(C3CCN(CC(=O)Nc4ccc5c(c4)OCCO5)CC3)n2)cc1 ZINC000019212994 556710813 /nfs/dbraw/zinc/71/08/13/556710813.db2.gz YUMQKAVJNWVBOS-UHFFFAOYSA-N 0 0 433.512 3.369 40 0 IGABRN CC(=O)Nc1ccc(C(=O)N2CC[C@H](C(=O)c3cnn(-c4ccc(C)cc4)c3N)C2)cc1 ZINC000019213289 556710826 /nfs/dbraw/zinc/71/08/26/556710826.db2.gz LGRJPJXZRRDCDX-SFHVURJKSA-N 0 0 431.496 3.066 40 0 IGABRN Cc1cc2nccc([C@H]3CCCN3C(=O)CCS(=O)(=O)c3ccc(C)c(C)c3)n2n1 ZINC000019214268 556711135 /nfs/dbraw/zinc/71/11/35/556711135.db2.gz AGURSVAIDVRJCD-LJQANCHMSA-N 0 0 426.542 3.182 40 0 IGABRN Cc1ccc(-c2c(-c3ccncc3)cnn2CCNC(=O)c2c(C)cc(C)n(C)c2=O)cn1 ZINC000019215004 556711586 /nfs/dbraw/zinc/71/15/86/556711586.db2.gz OJXUNSDULFVKSE-UHFFFAOYSA-N 0 0 442.523 3.061 40 0 IGABRN Cn1c2ccc(CCC(=O)N3CCCC[C@@H]3CCNC(=O)c3ccccc3)cc2n(C)c1=O ZINC000257265050 556712950 /nfs/dbraw/zinc/71/29/50/556712950.db2.gz LXCFKCRGVJMMEH-OAQYLSRUSA-N 0 0 448.567 3.011 40 0 IGABRN COc1cccc2[nH]c(C(=O)N3CCNC(=O)[C@@H]3Cc3ccc(-c4cccnc4)cc3)cc21 ZINC000257304483 556717861 /nfs/dbraw/zinc/71/78/61/556717861.db2.gz SLWTVVQMDBHHQW-QHCPKHFHSA-N 0 0 440.503 3.422 40 0 IGABRN Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)[C@@H]4CCCO4)CCO3)cc2)c1 ZINC000019235351 556719728 /nfs/dbraw/zinc/71/97/28/556719728.db2.gz LNEMTHGTTKNIKB-JYFHCDHNSA-N 0 0 436.552 3.069 40 0 IGABRN CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@@H]3CC)[nH]c(=O)c21 ZINC000139115037 556721248 /nfs/dbraw/zinc/72/12/48/556721248.db2.gz VXCIMTMSBSQYJU-LSDHHAIUSA-N 0 0 439.516 3.002 40 0 IGABRN Cc1ccnn1CCC(=O)N1CCO[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000019238477 556723867 /nfs/dbraw/zinc/72/38/67/556723867.db2.gz VTGPJQUJWAIJBM-INIZCTEOSA-N 0 0 435.406 3.251 40 0 IGABRN Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)COc1ccccn1 ZINC000019239707 556725461 /nfs/dbraw/zinc/72/54/61/556725461.db2.gz VUDSUYHLZSIZPJ-HXUWFJFHSA-N 0 0 432.528 3.441 40 0 IGABRN Cc1nc(C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccc(F)cc2)cc(=O)[nH]1 ZINC000019285366 556727195 /nfs/dbraw/zinc/72/71/95/556727195.db2.gz KLYUYIBONZOZDM-JOCHJYFZSA-N 0 0 435.499 3.366 40 0 IGABRN Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)N1S(=O)(=O)Cc1cccc(F)c1 ZINC000019286255 556727658 /nfs/dbraw/zinc/72/76/58/556727658.db2.gz LQBCDGZHIMSDSR-CMKODMSKSA-N 0 0 446.548 3.107 40 0 IGABRN COc1ccc(OCc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2C)cc1 ZINC000000873892 556728198 /nfs/dbraw/zinc/72/81/98/556728198.db2.gz ONFHIGBMNFSQKZ-UHFFFAOYSA-N 0 0 444.513 3.151 40 0 IGABRN COc1ccccc1C(=O)N1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1C ZINC000019288623 556728866 /nfs/dbraw/zinc/72/88/66/556728866.db2.gz PQMBVJDYZJFHAF-FQEVSTJZSA-N 0 0 432.528 3.463 40 0 IGABRN Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000000874439 556729014 /nfs/dbraw/zinc/72/90/14/556729014.db2.gz CCWFSIFJHZYODQ-UXHICEINSA-N 0 0 429.586 3.179 40 0 IGABRN CN(C(=O)c1cc(-c2ccc3c(c2)OCO3)on1)c1nc2c(s1)CCc1c-2cnn1C ZINC000019289553 556729376 /nfs/dbraw/zinc/72/93/76/556729376.db2.gz KVLNGBXVTMUDHK-UHFFFAOYSA-N 0 0 435.465 3.303 40 0 IGABRN COc1ccccc1CC(=O)NCCn1cc(-c2ccc(F)cc2)c(-c2nccn2C)n1 ZINC000019291565 556731442 /nfs/dbraw/zinc/73/14/42/556731442.db2.gz HMURFALYCJKJJG-UHFFFAOYSA-N 0 0 433.487 3.457 40 0 IGABRN CCc1ccccc1NC(=S)N(CCO)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895345 556740751 /nfs/dbraw/zinc/74/07/51/556740751.db2.gz HOAYDXPLGMTVPK-UHFFFAOYSA-N 0 0 441.553 3.299 40 0 IGABRN COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 ZINC000000896530 556741094 /nfs/dbraw/zinc/74/10/94/556741094.db2.gz YKKWSGSDWBOSGH-UHFFFAOYSA-N 0 0 449.492 3.499 40 0 IGABRN c1csc(-c2nc(NCCCN3CCOCC3)ncc2-c2ccc3c(c2)OCO3)n1 ZINC000019346379 556742888 /nfs/dbraw/zinc/74/28/88/556742888.db2.gz GWHOMPAEKUDGEW-UHFFFAOYSA-N 0 0 425.514 3.130 40 0 IGABRN O=C(c1ccc2oc(=O)[nH]c2c1)N1CCNC(=O)[C@H](Cc2ccccc2-c2ccncc2)C1 ZINC000019348567 556744097 /nfs/dbraw/zinc/74/40/97/556744097.db2.gz XCZXOLKYCXSMND-LJQANCHMSA-N 0 0 442.475 3.026 40 0 IGABRN Cc1ccc2cc(CN(CCO)S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]c2c1C ZINC000000914387 556745797 /nfs/dbraw/zinc/74/57/97/556745797.db2.gz USCBXXFZYDFREN-UHFFFAOYSA-N 0 0 434.945 3.290 40 0 IGABRN Cc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)C[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000057607191 556748058 /nfs/dbraw/zinc/74/80/58/556748058.db2.gz SMUYBTOGAIENCJ-QFIPXVFZSA-N 0 0 444.539 3.053 40 0 IGABRN O=C(Cc1c[nH]c2ccccc12)N1CCC2(C[C@]3(CO2)NC(=O)c2ccccc2N3)CC1 ZINC000019375998 556751766 /nfs/dbraw/zinc/75/17/66/556751766.db2.gz ZTQLLQHXAVLJDL-RUZDIDTESA-N 0 0 430.508 3.044 40 0 IGABRN COc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2C)c1 ZINC000000928965 556754458 /nfs/dbraw/zinc/75/44/58/556754458.db2.gz JWBHSYPANRZJFE-UHFFFAOYSA-N 0 0 426.498 3.336 40 0 IGABRN O=C(Nc1ccc([C@@H]2NC(=Cc3ccc(Br)cc3)C(=O)O2)cc1)c1nc[nH]n1 ZINC000019419206 556755474 /nfs/dbraw/zinc/75/54/74/556755474.db2.gz MGNXNFNRTMKPHR-IDGGIGOKSA-N 0 0 440.257 3.006 40 0 IGABRN Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000000931487 556756795 /nfs/dbraw/zinc/75/67/95/556756795.db2.gz PURUBFVRZIMZSY-VQTJNVASSA-N 0 0 429.586 3.179 40 0 IGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000000933139 556759000 /nfs/dbraw/zinc/75/90/00/556759000.db2.gz MZCPDZFNDDLIAG-OAHLLOKOSA-N 0 0 440.562 3.256 40 0 IGABRN CC(C)n1cc(C(=O)N2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cn1 ZINC000019454938 556765237 /nfs/dbraw/zinc/76/52/37/556765237.db2.gz CWVZJKOJXWDQRX-UHFFFAOYSA-N 0 0 433.516 3.240 40 0 IGABRN CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)n2)CC1 ZINC000019497067 556769507 /nfs/dbraw/zinc/76/95/07/556769507.db2.gz ODFOLTOCCOYKOO-IBGZPJMESA-N 0 0 446.617 3.179 40 0 IGABRN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000001325619 556771395 /nfs/dbraw/zinc/77/13/95/556771395.db2.gz ITXVBOQEYRZLRU-UHFFFAOYSA-N 0 0 434.583 3.045 40 0 IGABRN CCN(CC)C(=O)CSc1nnc2n(CC(=O)NC3CCCCC3)c3ccccc3n12 ZINC000001325811 556771653 /nfs/dbraw/zinc/77/16/53/556771653.db2.gz KBQJIGMFFGIVRK-UHFFFAOYSA-N 0 0 442.589 3.093 40 0 IGABRN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019499857 556771767 /nfs/dbraw/zinc/77/17/67/556771767.db2.gz WNCQZTJKBHTDSW-SUMWQHHRSA-N 0 0 428.558 3.048 40 0 IGABRN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)c23)C1 ZINC000001331905 556774635 /nfs/dbraw/zinc/77/46/35/556774635.db2.gz BFERNMLYUKPCLF-LBPRGKRZSA-N 0 0 440.525 3.371 40 0 IGABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccc(F)cc4)C2)[nH]c3=O)cc1 ZINC000001334355 556775685 /nfs/dbraw/zinc/77/56/85/556775685.db2.gz FRZBQHMVISNIQX-SFHVURJKSA-N 0 0 446.486 3.030 40 0 IGABRN Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccccc4C)C2)[nH]c3=O)cc1 ZINC000001334223 556775862 /nfs/dbraw/zinc/77/58/62/556775862.db2.gz UZYCSKOYRKMSDT-IBGZPJMESA-N 0 0 442.523 3.200 40 0 IGABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccn(C)c(=O)c4)C3)cc2N1 ZINC000019520666 556777139 /nfs/dbraw/zinc/77/71/39/556777139.db2.gz QTWWJOOWKFPCIO-ZMSDIMECSA-N 0 0 437.466 3.299 40 0 IGABRN COc1cccc(CC(=O)Nc2nnc(CCS(=O)(=O)c3ccc(C)cc3)s2)c1 ZINC000001340290 556778108 /nfs/dbraw/zinc/77/81/08/556778108.db2.gz 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CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccn(C)n2)C1 ZINC000019529070 556790341 /nfs/dbraw/zinc/79/03/41/556790341.db2.gz KUBFKRYMHHURKX-AREMUKBSSA-N 0 0 446.551 3.307 40 0 IGABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2cccnc2)CCO1 ZINC000019529298 556790920 /nfs/dbraw/zinc/79/09/20/556790920.db2.gz UISYNCBOVQHHHQ-AREMUKBSSA-N 0 0 429.520 3.339 40 0 IGABRN CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000001367520 556791814 /nfs/dbraw/zinc/79/18/14/556791814.db2.gz KVVNLBAFQPKOGS-IBGZPJMESA-N 0 0 436.599 3.189 40 0 IGABRN CCOc1cc(CCC(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)on1 ZINC000019532342 556792551 /nfs/dbraw/zinc/79/25/51/556792551.db2.gz DXFXACYEEHKUEN-CQSZACIVSA-N 0 0 428.514 3.224 40 0 IGABRN CCc1nc2sc3c(c2c(N2CCN(S(C)(=O)=O)CC2)n1)CC[C@@H](C(C)(C)C)C3 ZINC000001377111 556794505 /nfs/dbraw/zinc/79/45/05/556794505.db2.gz XKQVEQFWQJHLQR-CQSZACIVSA-N 0 0 436.647 3.486 40 0 IGABRN COc1ccc(C(=O)N2CCc3c(nc(N4CCCC4)nc3Oc3cccnc3)C2)cc1 ZINC000019553156 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