smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000826158744 947500834 /nfs/dbraw/zinc/50/08/34/947500834.db2.gz ATILZQPTRLETDT-UHFFFAOYSA-N 0 0 391.834 3.013 20 10 GGCDRN CC(C)(C)c1ncc(C=CC(=O)N2CCc3c2cccc3-c2nn[nH]n2)s1 ZINC001573885823 950840328 /nfs/dbraw/zinc/84/03/28/950840328.db2.gz VEXWYRIXLQNVGF-BQYQJAHWSA-N 0 0 380.477 3.223 20 10 GGCDRN O=C([O-])[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H]1c1ccccc1 ZINC001595191494 952285518 /nfs/dbraw/zinc/28/55/18/952285518.db2.gz RUSZTKNVWWZHIQ-UONOGXRCSA-N 0 0 376.250 3.455 20 10 GGCDRN CN(C)c1ccc([C@@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)[NH+](C)C)cc1 ZINC001593708781 954167434 /nfs/dbraw/zinc/16/74/34/954167434.db2.gz AEWCENABVZFQMV-HXUWFJFHSA-N 0 0 398.507 3.194 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840995852 955585298 /nfs/dbraw/zinc/58/52/98/955585298.db2.gz HBYPUKQXISJOPE-GOSISDBHSA-N 0 0 383.448 3.371 20 10 GGCDRN O=C([O-])[C@H](Cc1ccncc1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000848640047 955774301 /nfs/dbraw/zinc/77/43/01/955774301.db2.gz MPUTWOAQNLBOTQ-QFIPXVFZSA-N 0 0 387.483 3.430 20 10 GGCDRN Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1 ZINC000911552115 957081005 /nfs/dbraw/zinc/08/10/05/957081005.db2.gz CBUNOACYLWHDDO-UHFFFAOYSA-N 0 0 381.476 3.476 20 10 GGCDRN CN(C)c1ccc(C[NH2+]C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c(C(F)(F)F)c1 ZINC001604091350 972492904 /nfs/dbraw/zinc/49/29/04/972492904.db2.gz ZUDPIUBJOYXMFO-DBQDNQAGSA-N 0 0 386.414 3.273 20 10 GGCDRN CC(C)(C)c1cc(C[NH2+]CCOCCOCC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001588739701 961159500 /nfs/dbraw/zinc/15/95/00/961159500.db2.gz ZAFYVJGDDKSVMI-UHFFFAOYSA-N 0 0 381.513 3.195 20 10 GGCDRN CN1CCCc2cc(C[NH2+]Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)ccc21 ZINC001574029094 961988585 /nfs/dbraw/zinc/98/85/85/961988585.db2.gz BAHGFKUKJBDZJR-SFHVURJKSA-N 0 0 383.492 3.253 20 10 GGCDRN COc1cc(C[NH2+]C[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c(O)c(C(C)(C)C)c1 ZINC001604709493 973911119 /nfs/dbraw/zinc/91/11/19/973911119.db2.gz RULOKRRQUUKNDO-DBWCEAHUSA-N 0 0 377.481 3.200 20 10 GGCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(CC[NH+](C)C)CC(=O)[O-])cc1 ZINC001604064072 974599800 /nfs/dbraw/zinc/59/98/00/974599800.db2.gz JDBJYFPKLQAWBD-UHFFFAOYSA-N 0 0 397.479 3.256 20 10 GGCDRN CC(C)c1[nH]c(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)cc1C(=O)[O-] ZINC001591918215 976381548 /nfs/dbraw/zinc/38/15/48/976381548.db2.gz MLXKPCPIJYDTSP-UHFFFAOYSA-N 0 0 393.434 3.241 20 10 GGCDRN CC[NH+]1CCN(c2ccc(CNc3nc(C(=O)[O-])c(C)s3)cc2F)CC1 ZINC000844208307 979357471 /nfs/dbraw/zinc/35/74/71/979357471.db2.gz HFUOFRFFNUGPNC-UHFFFAOYSA-N 0 0 378.473 3.043 20 10 GGCDRN O=C([O-])/C=C/c1ccc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000844208058 979358175 /nfs/dbraw/zinc/35/81/75/979358175.db2.gz NEDJZHFJBTXBCM-GQCTYLIASA-N 0 0 387.461 3.119 20 10 GGCDRN O=C([O-])/C=C/c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000844213311 979372510 /nfs/dbraw/zinc/37/25/10/979372510.db2.gz WSIPEVWFXOVIHG-YUVOTWOWSA-N 0 0 393.443 3.261 20 10 GGCDRN COC1CCN(c2ccc(C[N@@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])cc2)CC1 ZINC000846273927 979439893 /nfs/dbraw/zinc/43/98/93/979439893.db2.gz BCFPLRXMLGGLNA-JOCHJYFZSA-N 0 0 380.488 3.486 20 10 GGCDRN COC1CCN(c2ccc(C[N@@H+]3CCc4ccccc4[C@H]3C(=O)[O-])cc2)CC1 ZINC000846273929 979439990 /nfs/dbraw/zinc/43/99/90/979439990.db2.gz BCFPLRXMLGGLNA-QFIPXVFZSA-N 0 0 380.488 3.486 20 10 GGCDRN Cc1cc(C[N@@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)ccc1N1CCCCC1 ZINC000846280241 979448760 /nfs/dbraw/zinc/44/87/60/979448760.db2.gz VXYCGKUVZUEVJR-SFHVURJKSA-N 0 0 383.496 3.112 20 10 GGCDRN O=C([O-])C[C@@]1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCCOC1 ZINC000859813045 979644038 /nfs/dbraw/zinc/64/40/38/979644038.db2.gz DOXMRBCZBXLUEE-QHCPKHFHSA-N 0 0 380.488 3.363 20 10 GGCDRN Cc1cc(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1cccc(C)c1 ZINC000864159587 979773698 /nfs/dbraw/zinc/77/36/98/979773698.db2.gz HAJYRUZJEZZDHK-MRXNPFEDSA-N 0 0 383.492 3.024 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000864527443 979943748 /nfs/dbraw/zinc/94/37/48/979943748.db2.gz CRAAEZAKVDQCPB-KRWDZBQOSA-N 0 0 382.382 3.437 20 10 GGCDRN COc1cc(C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC(=O)[O-])cc(OC)c1 ZINC000901609456 980403752 /nfs/dbraw/zinc/40/37/52/980403752.db2.gz IJKVIGVCRBSOQC-AATRIKPKSA-N 0 0 384.476 3.370 20 10 GGCDRN COc1cc(C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC(=O)[O-])cc(OC)c1 ZINC000901609457 980403812 /nfs/dbraw/zinc/40/38/12/980403812.db2.gz IJKVIGVCRBSOQC-WAYWQWQTSA-N 0 0 384.476 3.370 20 10 GGCDRN COC[C@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000901793514 980523592 /nfs/dbraw/zinc/52/35/92/980523592.db2.gz MZMIPJYVJDHFBZ-SFHVURJKSA-N 0 0 399.329 3.409 20 10 GGCDRN CO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000902031066 980701538 /nfs/dbraw/zinc/70/15/38/980701538.db2.gz HEZAZCKEPLTUEH-RBBKRZOGSA-N 0 0 380.488 3.313 20 10 GGCDRN O=C([O-])[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904031729 981082502 /nfs/dbraw/zinc/08/25/02/981082502.db2.gz QRQYAAYYXIUGSI-NHCUHLMSSA-N 0 0 380.488 3.361 20 10 GGCDRN C[NH+](C)CCN(Cc1ccccc1F)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910346240 981883142 /nfs/dbraw/zinc/88/31/42/981883142.db2.gz OYNICDCHEUGXIK-NTMALXAHSA-N 0 0 387.411 3.400 20 10 GGCDRN CCN(C)c1ccc(C[NH2+][C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001596197275 983581231 /nfs/dbraw/zinc/58/12/31/983581231.db2.gz GQCBXRRBPFSKRE-HSZRJFAPSA-N 0 0 381.520 3.352 20 10 GGCDRN CCN(CC)C(=O)C1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC001596241083 983639691 /nfs/dbraw/zinc/63/96/91/983639691.db2.gz GRJWFVCWJPSHMK-UHFFFAOYSA-N 0 0 384.476 3.324 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc(C(=O)[O-])ccc1O ZINC001594542167 986179003 /nfs/dbraw/zinc/17/90/03/986179003.db2.gz FEIACNDFYXCONR-HOTGVXAUSA-N 0 0 384.476 3.162 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc(C(=O)[O-])ccc1O ZINC001594542169 986179770 /nfs/dbraw/zinc/17/97/70/986179770.db2.gz FEIACNDFYXCONR-JKSUJKDBSA-N 0 0 384.476 3.162 20 10 GGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001594578293 986431445 /nfs/dbraw/zinc/43/14/45/986431445.db2.gz YPTUNMZXNBWBPT-SDAMIPCISA-N 0 0 378.488 3.418 20 10 GGCDRN CSCC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795069 988083359 /nfs/dbraw/zinc/08/33/59/988083359.db2.gz XGBVSPOUBTUAKQ-DOMZBBRYSA-N 0 0 386.477 3.278 20 10 GGCDRN CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC12CC(C(=O)[O-])C2 ZINC001589867600 988490180 /nfs/dbraw/zinc/49/01/80/988490180.db2.gz YNPFVVRAEAYONG-KLSXAPCHSA-N 0 0 395.883 3.300 20 10 GGCDRN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[NH+](C)C)cc1 ZINC001598313079 991286753 /nfs/dbraw/zinc/28/67/53/991286753.db2.gz BKHHTPDSAYFAQB-SFHVURJKSA-N 0 0 388.443 3.014 20 10 GGCDRN CN(CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC001598477921 992104273 /nfs/dbraw/zinc/10/42/73/992104273.db2.gz HLUKTKZTOUNLNX-UHFFFAOYSA-N 0 0 386.876 3.189 20 10 GGCDRN C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501851 992445118 /nfs/dbraw/zinc/44/51/18/992445118.db2.gz NMCCBBNQOZKGRB-IBHIWXBSSA-N 0 0 395.459 3.446 20 10 GGCDRN C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@H](COC1CCC1)C(=O)[O-] ZINC001598524837 992706381 /nfs/dbraw/zinc/70/63/81/992706381.db2.gz KMSNJKOLWYGPMX-HXUWFJFHSA-N 0 0 385.460 3.425 20 10 GGCDRN CC(C)[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591560965 992760397 /nfs/dbraw/zinc/76/03/97/992760397.db2.gz BCMPSGSVONRYFD-UHFFFAOYSA-N 0 0 375.494 3.361 20 10 GGCDRN COc1ccc(N2CC[C@H]([NH2+]Cc3ccnc4c(C(=O)[O-])cccc34)C2)cc1 ZINC001599585596 993609272 /nfs/dbraw/zinc/60/92/72/993609272.db2.gz GCZXNGGKHMHJTM-INIZCTEOSA-N 0 0 377.444 3.310 20 10 GGCDRN COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(C(=O)[O-])c4n3CCCC4)C2)cc1 ZINC001599586164 993616182 /nfs/dbraw/zinc/61/61/82/993616182.db2.gz MJKLYVTWWFEBJO-INIZCTEOSA-N 0 0 383.492 3.147 20 10 GGCDRN CN1CCN(c2ccc(C[NH2+][C@@H](CCC(=O)[O-])c3ccccc3)cc2F)CC1 ZINC001598624022 994057094 /nfs/dbraw/zinc/05/70/94/994057094.db2.gz DGDIEJYVXAGSSX-FQEVSTJZSA-N 0 0 385.483 3.273 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593204374 994200495 /nfs/dbraw/zinc/20/04/95/994200495.db2.gz QMHOTCGFNSMKMF-SJORKVTESA-N 0 0 384.476 3.398 20 10 GGCDRN C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211179 994262666 /nfs/dbraw/zinc/26/26/66/994262666.db2.gz VPJCXOWENXHDRF-IINYFYTJSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593217602 994274465 /nfs/dbraw/zinc/27/44/65/994274465.db2.gz ARIFZPQEDZWOHC-MRXNPFEDSA-N 0 0 396.487 3.365 20 10 GGCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])ccc1O ZINC001593230025 994356627 /nfs/dbraw/zinc/35/66/27/994356627.db2.gz AUVDYMPHAHSZQR-MGPLVRAMSA-N 0 0 392.814 3.339 20 10 GGCDRN C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593236840 994408894 /nfs/dbraw/zinc/40/88/94/994408894.db2.gz KMZBAXLGBJIENH-JTQLQIEISA-N 0 0 393.237 3.142 20 10 GGCDRN C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593245687 994438274 /nfs/dbraw/zinc/43/82/74/994438274.db2.gz AMBYDZPRHMIZDY-SMDDNHRTSA-N 0 0 399.365 3.200 20 10 GGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593246414 994451226 /nfs/dbraw/zinc/45/12/26/994451226.db2.gz LALMVYMPWKHTSQ-HWPZZCPQSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@@H]([NH2+]CCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC001593272628 994612555 /nfs/dbraw/zinc/61/25/55/994612555.db2.gz SNDRUVVFIYPQQR-PPCLGBEZSA-N 0 0 396.487 3.351 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593305156 994759962 /nfs/dbraw/zinc/75/99/62/994759962.db2.gz XKCDGIXJISVBST-DJJJIMSYSA-N 0 0 384.432 3.059 20 10 GGCDRN C[C@@H](Oc1ccccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(=O)[O-] ZINC001593647787 995992813 /nfs/dbraw/zinc/99/28/13/995992813.db2.gz AUMQHWOQVLCFPA-MRXNPFEDSA-N 0 0 386.517 3.382 20 10 GGCDRN COc1ccc(C[NH+]2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c(O)c1OC ZINC001599561149 998197507 /nfs/dbraw/zinc/19/75/07/998197507.db2.gz SAXJJBZJBGQLGG-UHFFFAOYSA-N 0 0 386.448 3.184 20 10 GGCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c(O)c1OC ZINC001599561809 998211268 /nfs/dbraw/zinc/21/12/68/998211268.db2.gz OEVMPFYREVEGNM-GFCCVEGCSA-N 0 0 378.450 3.210 20 10 GGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1Cn1cccn1 ZINC001599572098 998381574 /nfs/dbraw/zinc/38/15/74/998381574.db2.gz RNKVWKWAFSWGLQ-OAQYLSRUSA-N 0 0 379.460 3.472 20 10 GGCDRN C[C@@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@]2(CCO[C@H](C)C2)O1 ZINC001594288102 999115478 /nfs/dbraw/zinc/11/54/78/999115478.db2.gz ZZFZHBITMMKUCD-HLFMIMNKSA-N 0 0 385.460 3.402 20 10 GGCDRN C[C@@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@]2(CCO[C@H](C)C2)O1 ZINC001594288100 999115530 /nfs/dbraw/zinc/11/55/30/999115530.db2.gz ZZFZHBITMMKUCD-DOQJBMMISA-N 0 0 385.460 3.402 20 10 GGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000116350345 1126076303 /nfs/dbraw/zinc/07/63/03/1126076303.db2.gz POFKWSYPFMVEOM-CQSZACIVSA-N 0 0 375.812 3.128 20 10 GGCDRN Cc1cc(C)cc(C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])c1 ZINC000756358720 1126107508 /nfs/dbraw/zinc/10/75/08/1126107508.db2.gz CKFNONNVSNSXME-HXUWFJFHSA-N 0 0 386.467 3.065 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841794046 1126111681 /nfs/dbraw/zinc/11/16/81/1126111681.db2.gz SFXSSNOFNCLAJY-GOSISDBHSA-N 0 0 399.447 3.076 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ccncn2)C(=O)[O-])cc1 ZINC000841821207 1126111964 /nfs/dbraw/zinc/11/19/64/1126111964.db2.gz CXGZPOHYXNSEBN-QFIPXVFZSA-N 0 0 390.487 3.289 20 10 GGCDRN O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756388403 1126108792 /nfs/dbraw/zinc/10/87/92/1126108792.db2.gz NNKWMXOVYAGHNT-INIZCTEOSA-N 0 0 396.413 3.135 20 10 GGCDRN COc1ccc(C[NH2+][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1Cn1cccn1 ZINC000871878424 1126117319 /nfs/dbraw/zinc/11/73/19/1126117319.db2.gz KTRKUHUMQWLUGV-OAQYLSRUSA-N 0 0 393.487 3.342 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2cc[nH]n2)C(=O)[O-])cc1 ZINC000900058475 1126128533 /nfs/dbraw/zinc/12/85/33/1126128533.db2.gz DANQOFQJJBBCSL-NRFANRHFSA-N 0 0 378.476 3.222 20 10 GGCDRN O=C([O-])[C@@H](Cc1c[nH]c2cccnc12)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000904062683 1126132400 /nfs/dbraw/zinc/13/24/00/1126132400.db2.gz JTWMKGZUTFHVJR-HXUWFJFHSA-N 0 0 378.476 3.339 20 10 GGCDRN O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001601657815 1126223298 /nfs/dbraw/zinc/22/32/98/1126223298.db2.gz QWGATWSNQXVMFH-FQEVSTJZSA-N 0 0 380.444 3.055 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC[C@H]4CCCO4)cc3)CC2)cc1 ZINC000004057781 204025214 /nfs/dbraw/zinc/02/52/14/204025214.db2.gz VEFKHNDREGYEHR-JOCHJYFZSA-N 0 0 396.487 3.215 20 10 GGCDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2C ZINC000005267045 204123313 /nfs/dbraw/zinc/12/33/13/204123313.db2.gz AAPJMCQQBJYGLL-UHFFFAOYSA-N 0 0 386.521 3.337 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CN(C)Cc3ccc(Cl)s3)CC2)cc1 ZINC000007278467 204237822 /nfs/dbraw/zinc/23/78/22/204237822.db2.gz LKZICOVZCQXFDY-UHFFFAOYSA-N 0 0 393.940 3.191 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(CSc3nc[nH]n3)cc2)cc1 ZINC000008428284 204276412 /nfs/dbraw/zinc/27/64/12/204276412.db2.gz OIRBRSIHFRLZMS-UHFFFAOYSA-N 0 0 381.505 3.435 20 10 GGCDRN O=C(CSc1nncs1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000008519348 204278787 /nfs/dbraw/zinc/27/87/87/204278787.db2.gz SYHVFKUFJGTRFS-UHFFFAOYSA-N 0 0 381.438 3.044 20 10 GGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000009932414 204327506 /nfs/dbraw/zinc/32/75/06/204327506.db2.gz XXYRPLSKMNSANR-UHFFFAOYSA-N 0 0 388.533 3.350 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3F)C3CC3)CC2)cc1 ZINC000010056575 204330212 /nfs/dbraw/zinc/33/02/12/204330212.db2.gz YZKZETDLPJVUHP-UHFFFAOYSA-N 0 0 397.494 3.148 20 10 GGCDRN Cc1ccc(C(=O)CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000016134560 204590449 /nfs/dbraw/zinc/59/04/49/204590449.db2.gz PGLNJTHVGFOFCW-UHFFFAOYSA-N 0 0 380.488 3.453 20 10 GGCDRN COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)ccc1N1CCCC1=O ZINC000031728346 204904814 /nfs/dbraw/zinc/90/48/14/204904814.db2.gz LIZVMOMQVVROOD-UHFFFAOYSA-N 0 0 382.464 3.210 20 10 GGCDRN O=C(CN(Cc1cccs1)c1ccc2c(c1)OCCO2)NCC(F)(F)F ZINC000057642848 205161280 /nfs/dbraw/zinc/16/12/80/205161280.db2.gz UFSXLPIWZQFXLR-UHFFFAOYSA-N 0 0 386.395 3.204 20 10 GGCDRN Cc1sc(Br)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000241161277 206127731 /nfs/dbraw/zinc/12/77/31/206127731.db2.gz JZPYWCUSLNSRID-UHFFFAOYSA-N 0 0 382.283 3.319 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(Cl)nc2ccccn21 ZINC000098093942 136188988 /nfs/dbraw/zinc/18/89/88/136188988.db2.gz RAYYELUCPMBCKQ-UHFFFAOYSA-N 0 0 398.894 3.126 20 10 GGCDRN CN1CCCc2cc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)ccc21 ZINC000058769323 536396459 /nfs/dbraw/zinc/39/64/59/536396459.db2.gz MFHNRCIVLXGMKN-UHFFFAOYSA-N 0 0 379.382 3.335 20 10 GGCDRN COc1ccccc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000048356148 537020539 /nfs/dbraw/zinc/02/05/39/537020539.db2.gz VMDLOPJFZCWPCT-IYBDPMFKSA-N 0 0 386.467 3.307 20 10 GGCDRN O=C(c1ccc(Br)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117975180 564234917 /nfs/dbraw/zinc/23/49/17/564234917.db2.gz FNIWJOIJLJAKOC-OAHLLOKOSA-N 0 0 391.265 3.371 20 10 GGCDRN CCS(=O)(=O)CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000118174812 564236864 /nfs/dbraw/zinc/23/68/64/564236864.db2.gz LRHZZNJMIKZKLU-MRXNPFEDSA-N 0 0 380.535 3.256 20 10 GGCDRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000007908432 564243120 /nfs/dbraw/zinc/24/31/20/564243120.db2.gz 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/nfs/dbraw/zinc/55/23/09/564552309.db2.gz RIDCJIAHXFHJKZ-UHFFFAOYSA-N 0 0 391.269 3.002 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1Br ZINC000054284778 564602171 /nfs/dbraw/zinc/60/21/71/564602171.db2.gz CAYXIXLMYIEDMP-UHFFFAOYSA-N 0 0 393.256 3.355 20 10 GGCDRN Cc1cc(Br)oc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055524422 564622563 /nfs/dbraw/zinc/62/25/63/564622563.db2.gz JHECMXJMDRVBDT-UHFFFAOYSA-N 0 0 397.244 3.256 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1C ZINC000055668582 564628850 /nfs/dbraw/zinc/62/88/50/564628850.db2.gz LWDVDYFXTDTNRS-UHFFFAOYSA-N 0 0 382.507 3.174 20 10 GGCDRN Nc1ccc(CC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1 ZINC000153736279 565007919 /nfs/dbraw/zinc/00/79/19/565007919.db2.gz YIXJQYICUXCLJX-KRWDZBQOSA-N 0 0 375.266 3.174 20 10 GGCDRN Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(Br)n1 ZINC000154285582 565032511 /nfs/dbraw/zinc/03/25/11/565032511.db2.gz BJUWUZQHAIEIDJ-UHFFFAOYSA-N 0 0 376.254 3.258 20 10 GGCDRN CC[C@@](C)(O)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000266578529 565085625 /nfs/dbraw/zinc/08/56/25/565085625.db2.gz QGIHFHSVIJKMLP-OJNOIJSXSA-N 0 0 398.575 3.007 20 10 GGCDRN CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156613706 565097592 /nfs/dbraw/zinc/09/75/92/565097592.db2.gz KFDYIKCTMOZUMB-UONOGXRCSA-N 0 0 383.279 3.279 20 10 GGCDRN COC(=O)[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1 ZINC000292359571 565112848 /nfs/dbraw/zinc/11/28/48/565112848.db2.gz QUSDOFHYDCPUPQ-HGLKBHAMSA-N 0 0 377.487 3.381 20 10 GGCDRN COC(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S ZINC000292461533 565117899 /nfs/dbraw/zinc/11/78/99/565117899.db2.gz OWSAVJROGYGTNQ-FMIVXFBMSA-N 0 0 387.429 3.442 20 10 GGCDRN CC(=O)NCCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000184921717 565166020 /nfs/dbraw/zinc/16/60/20/565166020.db2.gz SMRTZAQRAHNPJV-MRVPVSSYSA-N 0 0 394.107 3.094 20 10 GGCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000268303324 565147463 /nfs/dbraw/zinc/14/74/63/565147463.db2.gz HQKTXIYAKMJPIW-SNVBAGLBSA-N 0 0 399.563 3.207 20 10 GGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000268363871 565149974 /nfs/dbraw/zinc/14/99/74/565149974.db2.gz XHQRMBXLITVJAU-JTQLQIEISA-N 0 0 399.563 3.207 20 10 GGCDRN CCC[C@H](O)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000268636002 565161024 /nfs/dbraw/zinc/16/10/24/565161024.db2.gz SSBOXUMYRRYSEB-GVIGZQTCSA-N 0 0 398.575 3.007 20 10 GGCDRN C[C@H]([NH2+]CCn1ccnc1)c1cc(Br)cc(Br)c1[O-] ZINC000184868523 565162039 /nfs/dbraw/zinc/16/20/39/565162039.db2.gz ZHTSLXDWYMSZOK-VIFPVBQESA-N 0 0 389.091 3.465 20 10 GGCDRN C[C@@H](CCCO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000268721059 565164174 /nfs/dbraw/zinc/16/41/74/565164174.db2.gz ZXAAZCVPDLGRLK-PBBNAPBQSA-N 0 0 398.575 3.007 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000269023253 565175600 /nfs/dbraw/zinc/17/56/00/565175600.db2.gz JDMQXZWKGGGAOC-AWEZNQCLSA-N 0 0 393.285 3.487 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000270310151 565214507 /nfs/dbraw/zinc/21/45/07/565214507.db2.gz PSSQRJQMBJCIHS-LLVKDONJSA-N 0 0 378.270 3.031 20 10 GGCDRN O=C(c1ccncc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000159737014 565216601 /nfs/dbraw/zinc/21/66/01/565216601.db2.gz GVLFPKJZRMWYGX-CQSZACIVSA-N 0 0 391.265 3.371 20 10 GGCDRN CCN(Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000294556024 565217643 /nfs/dbraw/zinc/21/76/43/565217643.db2.gz LJMWUNHCXPOTAN-GOSISDBHSA-N 0 0 378.563 3.394 20 10 GGCDRN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083662 565238431 /nfs/dbraw/zinc/23/84/31/565238431.db2.gz VCODXTAQFUWDHU-GWCFXTLKSA-N 0 0 383.279 3.197 20 10 GGCDRN C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082554 565238537 /nfs/dbraw/zinc/23/85/37/565238537.db2.gz OARXYDFCKJUCDY-GWCFXTLKSA-N 0 0 383.279 3.279 20 10 GGCDRN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)cc(Br)c1[O-] ZINC000186220454 565246986 /nfs/dbraw/zinc/24/69/86/565246986.db2.gz FUDZIMRZMVODFK-ZETCQYMHSA-N 0 0 394.107 3.079 20 10 GGCDRN COC[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271731533 565265920 /nfs/dbraw/zinc/26/59/20/565265920.db2.gz NCLOGCXLLQIOKL-SECBINFHSA-N 0 0 379.092 3.386 20 10 GGCDRN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000186540373 565267867 /nfs/dbraw/zinc/26/78/67/565267867.db2.gz ZEAAZMPOZJBPNQ-QQJLPTOTSA-N 0 0 399.148 3.335 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)CCCO ZINC000271825699 565269561 /nfs/dbraw/zinc/26/95/61/565269561.db2.gz RDQRFZAQTHMCIZ-UHFFFAOYSA-N 0 0 387.318 3.485 20 10 GGCDRN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444085 565320956 /nfs/dbraw/zinc/32/09/56/565320956.db2.gz ZKFZAIGJZYKXEO-JGVFFNPUSA-N 0 0 394.107 3.092 20 10 GGCDRN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444080 565321240 /nfs/dbraw/zinc/32/12/40/565321240.db2.gz ZKFZAIGJZYKXEO-HTQZYQBOSA-N 0 0 394.107 3.092 20 10 GGCDRN CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273585185 565326131 /nfs/dbraw/zinc/32/61/31/565326131.db2.gz NPNZIRIELFVCHW-QMMMGPOBSA-N 0 0 394.107 3.094 20 10 GGCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCC1N=NC(=S)N1C ZINC000296660881 565329225 /nfs/dbraw/zinc/32/92/25/565329225.db2.gz OLYHWKTYHPZINM-UHFFFAOYSA-N 0 0 398.330 3.237 20 10 GGCDRN Cc1ncsc1CCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000296706438 565330731 /nfs/dbraw/zinc/33/07/31/565330731.db2.gz LLVOWAFWMUDTSR-UHFFFAOYSA-N 0 0 381.567 3.300 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1nccnc1C ZINC000297485978 565374117 /nfs/dbraw/zinc/37/41/17/565374117.db2.gz MWBQDMKVUQQKHD-UHFFFAOYSA-N 0 0 393.285 3.027 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3ccc(Br)cn3)CC2)cc1 ZINC000170762211 565391986 /nfs/dbraw/zinc/39/19/86/565391986.db2.gz AXIWBGSDOFLISJ-UHFFFAOYSA-N 0 0 390.281 3.205 20 10 GGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000375846892 565408786 /nfs/dbraw/zinc/40/87/86/565408786.db2.gz 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ZINC000301220412 565471484 /nfs/dbraw/zinc/47/14/84/565471484.db2.gz AMPQZEUFTUTSPI-UHFFFAOYSA-N 0 0 391.313 3.391 20 10 GGCDRN Cn1nc(Br)c2c1ncnc2NCc1ccc(N2CC=CC2)cc1 ZINC000301352280 565480358 /nfs/dbraw/zinc/48/03/58/565480358.db2.gz LSAPVETZMQZMPV-UHFFFAOYSA-N 0 0 385.269 3.114 20 10 GGCDRN Cc1cc(C(=O)N2CCCS(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000377611950 565488831 /nfs/dbraw/zinc/48/88/31/565488831.db2.gz QRQALPOSZJAUBT-UHFFFAOYSA-N 0 0 380.897 3.008 20 10 GGCDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cccc(Br)c1O ZINC000277406596 565494943 /nfs/dbraw/zinc/49/49/43/565494943.db2.gz BTQROWLGVLXXDH-UHFFFAOYSA-N 0 0 394.269 3.186 20 10 GGCDRN Cc1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)sc1C ZINC000277423534 565495806 /nfs/dbraw/zinc/49/58/06/565495806.db2.gz PPCYTOFRQAIKHV-UHFFFAOYSA-N 0 0 379.869 3.126 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000277434637 565496817 /nfs/dbraw/zinc/49/68/17/565496817.db2.gz DZHYIEQXLUOLGI-UHFFFAOYSA-N 0 0 395.219 3.045 20 10 GGCDRN O=S(=O)(c1cc(F)ccc1NCCc1ccc(O)c(O)c1)C(F)(F)F ZINC000301583818 565497538 /nfs/dbraw/zinc/49/75/38/565497538.db2.gz OHWXZGXIMAQKPS-UHFFFAOYSA-N 0 0 379.331 3.185 20 10 GGCDRN O=C(CCc1nnc(C2CCCC2)o1)NCc1cccc(Br)c1O ZINC000277447531 565498056 /nfs/dbraw/zinc/49/80/56/565498056.db2.gz FYOXYZGJMWRPCB-UHFFFAOYSA-N 0 0 394.269 3.444 20 10 GGCDRN C[C@H](CC(=O)NCc1cccc(Br)c1O)NC(=O)C1CCCCC1 ZINC000277451629 565498120 /nfs/dbraw/zinc/49/81/20/565498120.db2.gz GFPYQBWMRXIAJK-GFCCVEGCSA-N 0 0 397.313 3.246 20 10 GGCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277582116 565507660 /nfs/dbraw/zinc/50/76/60/565507660.db2.gz RMJDLCIIMJZACV-TZMCWYRMSA-N 0 0 397.313 3.056 20 10 GGCDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277582112 565507875 /nfs/dbraw/zinc/50/78/75/565507875.db2.gz RMJDLCIIMJZACV-OCCSQVGLSA-N 0 0 397.313 3.056 20 10 GGCDRN O=[N+]([O-])c1cncc(Br)c1NCc1ccc(N2CCOCC2)cc1 ZINC000301826514 565511930 /nfs/dbraw/zinc/51/19/30/565511930.db2.gz FDHBHDGDURDUML-UHFFFAOYSA-N 0 0 393.241 3.201 20 10 GGCDRN Cc1cnc([C@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000277746500 565517820 /nfs/dbraw/zinc/51/78/20/565517820.db2.gz UZMJQKBAKIEOCK-SNVBAGLBSA-N 0 0 379.869 3.378 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Br)c(C)n(C)c1=O ZINC000277953619 565530153 /nfs/dbraw/zinc/53/01/53/565530153.db2.gz GSJCXQBAWFKOQW-UHFFFAOYSA-N 0 0 393.281 3.214 20 10 GGCDRN CC(C)c1[nH]nc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1Br ZINC000173187353 565534506 /nfs/dbraw/zinc/53/45/06/565534506.db2.gz PWOUVINQKIIRBF-UHFFFAOYSA-N 0 0 393.285 3.401 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cccc(Br)c1 ZINC000173193595 565535184 /nfs/dbraw/zinc/53/51/84/565535184.db2.gz KKBZCROPYNDLDT-UHFFFAOYSA-N 0 0 375.266 3.483 20 10 GGCDRN CN1C(=O)CCc2cc(C[NH2+]Cc3cccc(Br)c3[O-])ccc21 ZINC000278419324 565557497 /nfs/dbraw/zinc/55/74/97/565557497.db2.gz RFUREPIKOGSJGT-UHFFFAOYSA-N 0 0 375.266 3.354 20 10 GGCDRN COCOc1ccc(OC)cc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000278414452 565557967 /nfs/dbraw/zinc/55/79/67/565557967.db2.gz QNPDKPLHNGBNHT-UHFFFAOYSA-N 0 0 382.254 3.436 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000278834127 565579846 /nfs/dbraw/zinc/57/98/46/565579846.db2.gz VLWYCPOLIUKOFC-UHFFFAOYSA-N 0 0 379.254 3.237 20 10 GGCDRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cccc(Br)c1O ZINC000278930401 565585542 /nfs/dbraw/zinc/58/55/42/565585542.db2.gz HYZQEVOIUBOWMN-ZDUSSCGKSA-N 0 0 395.257 3.061 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(CCOC)c1 ZINC000174038318 565609437 /nfs/dbraw/zinc/60/94/37/565609437.db2.gz PZSJZJYLTZMKTN-UHFFFAOYSA-N 0 0 397.273 3.052 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000174063201 565610389 /nfs/dbraw/zinc/61/03/89/565610389.db2.gz YDQUKXJESZSZTH-UHFFFAOYSA-N 0 0 388.276 3.042 20 10 GGCDRN COc1ccc(Cl)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000174064972 565610757 /nfs/dbraw/zinc/61/07/57/565610757.db2.gz PDWGEQKUHPPSAN-UHFFFAOYSA-N 0 0 382.869 3.002 20 10 GGCDRN COc1cc(Br)cc(CN2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191737977 565628011 /nfs/dbraw/zinc/62/80/11/565628011.db2.gz ZUHKXYAARBLANI-CQSZACIVSA-N 0 0 398.326 3.187 20 10 GGCDRN Cc1nn(C)c(C[NH2+]Cc2cccc(Br)c2[O-])c1Br ZINC000279693453 565628148 /nfs/dbraw/zinc/62/81/48/565628148.db2.gz BXJRWPSJGWTLAI-UHFFFAOYSA-N 0 0 389.091 3.249 20 10 GGCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(Br)cn2)c1O ZINC000280159296 565654789 /nfs/dbraw/zinc/65/47/89/565654789.db2.gz FFCKGUDKNJQEOQ-SNVBAGLBSA-N 0 0 380.242 3.119 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccc(CO)c1 ZINC000174757214 565656229 /nfs/dbraw/zinc/65/62/29/565656229.db2.gz LZVFTGIAXDXYGL-UHFFFAOYSA-N 0 0 393.281 3.379 20 10 GGCDRN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000192648871 565704160 /nfs/dbraw/zinc/70/41/60/565704160.db2.gz UTLCVNKAIZIGIF-SNVBAGLBSA-N 0 0 381.325 3.164 20 10 GGCDRN COCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000193028485 565725528 /nfs/dbraw/zinc/72/55/28/565725528.db2.gz HEVHZWUTVLRJQG-NSHDSACASA-N 0 0 375.296 3.377 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(NC(C)=O)n1 ZINC000175847406 565726751 /nfs/dbraw/zinc/72/67/51/565726751.db2.gz CHSRDPJWBHGVEO-UHFFFAOYSA-N 0 0 398.282 3.232 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCn1c(C)csc1=O ZINC000175846790 565727408 /nfs/dbraw/zinc/72/74/08/565727408.db2.gz SUWXCGJHBDVZGT-UHFFFAOYSA-N 0 0 399.310 3.125 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1occc1Br ZINC000176026290 565742023 /nfs/dbraw/zinc/74/20/23/565742023.db2.gz HONGTKOPJZDKIE-UHFFFAOYSA-N 0 0 397.244 3.072 20 10 GGCDRN CC1=C(Br)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000282008498 565760550 /nfs/dbraw/zinc/76/05/50/565760550.db2.gz PEZMQWREUTTXGL-UHFFFAOYSA-N 0 0 394.313 3.107 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000282025651 565762214 /nfs/dbraw/zinc/76/22/14/565762214.db2.gz DUXCRTGTLFSPHI-MRXNPFEDSA-N 0 0 380.897 3.007 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@H]3CCOC3)cc2Cl)C1 ZINC000282460393 565780269 /nfs/dbraw/zinc/78/02/69/565780269.db2.gz WBFVESVDJNUABQ-HOCLYGCPSA-N 0 0 386.945 3.032 20 10 GGCDRN O=C(Cc1ccc(Cl)s1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000283137216 565810120 /nfs/dbraw/zinc/81/01/20/565810120.db2.gz INJHVHCCVMHWNQ-UHFFFAOYSA-N 0 0 378.925 3.469 20 10 GGCDRN C[C@@H](C[S@](C)=O)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000283515200 565820261 /nfs/dbraw/zinc/82/02/61/565820261.db2.gz MSNUGRMCIDGQSC-JXQWACKNSA-N 0 0 385.961 3.143 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc([C@@H](C)O)s1 ZINC000283598968 565823516 /nfs/dbraw/zinc/82/35/16/565823516.db2.gz YEXDACJDXAGTAJ-SECBINFHSA-N 0 0 385.283 3.327 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1occc1Br ZINC000177676466 565866761 /nfs/dbraw/zinc/86/67/61/565866761.db2.gz HJKOMXLHCSJCMP-UHFFFAOYSA-N 0 0 379.254 3.151 20 10 GGCDRN COCCn1c(C)cc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1C ZINC000178017469 565890145 /nfs/dbraw/zinc/89/01/45/565890145.db2.gz NFGFIIJUXHBMGT-DHDCSXOGSA-N 0 0 377.491 3.141 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000285612040 565916912 /nfs/dbraw/zinc/91/69/12/565916912.db2.gz JGLJZYZHJRSZOP-UHFFFAOYSA-N 0 0 381.881 3.258 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3cccnc3Br)CC2)cc1 ZINC000178488726 565921385 /nfs/dbraw/zinc/92/13/85/565921385.db2.gz ZONSTFRJBVKVRA-UHFFFAOYSA-N 0 0 391.269 3.207 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1nc2c(s1)CCCC2 ZINC000285903439 565932380 /nfs/dbraw/zinc/93/23/80/565932380.db2.gz HSGHZYHZKXYGQN-UHFFFAOYSA-N 0 0 377.853 3.350 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000286792439 565980600 /nfs/dbraw/zinc/98/06/00/565980600.db2.gz PYINFGTWODBODU-UHFFFAOYSA-N 0 0 394.240 3.390 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1cccc(Br)c1 ZINC000179669958 565999127 /nfs/dbraw/zinc/99/91/27/565999127.db2.gz ANGCTLQTGCQPOK-CQSZACIVSA-N 0 0 377.282 3.311 20 10 GGCDRN Cc1cccc(CCCNC(=O)NCc2cccc(Br)c2O)n1 ZINC000287161331 566001087 /nfs/dbraw/zinc/00/10/87/566001087.db2.gz ZEXZWOVWQLJXQB-UHFFFAOYSA-N 0 0 378.270 3.290 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](CO)C2)c(C)n1-c1ccccc1Br ZINC000179713598 566002332 /nfs/dbraw/zinc/00/23/32/566002332.db2.gz IHBZGLJTZOFICJ-AWEZNQCLSA-N 0 0 377.282 3.311 20 10 GGCDRN CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287271557 566007720 /nfs/dbraw/zinc/00/77/20/566007720.db2.gz AXSUNYALSYEFGP-QMTHXVAHSA-N 0 0 381.325 3.021 20 10 GGCDRN CC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265549 566007845 /nfs/dbraw/zinc/00/78/45/566007845.db2.gz AQTCZWUFIULSRU-WFASDCNBSA-N 0 0 377.794 3.270 20 10 GGCDRN CC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265542 566007984 /nfs/dbraw/zinc/00/79/84/566007984.db2.gz AQTCZWUFIULSRU-SWLSCSKDSA-N 0 0 377.794 3.270 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCOC[C@H]1C ZINC000287709204 566036227 /nfs/dbraw/zinc/03/62/27/566036227.db2.gz BOXIFHVLNRYEBP-CHWSQXEVSA-N 0 0 385.302 3.359 20 10 GGCDRN CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287850631 566044051 /nfs/dbraw/zinc/04/40/51/566044051.db2.gz WSWUBVLDBQMBDF-MRXNPFEDSA-N 0 0 388.339 3.292 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000180341091 566055668 /nfs/dbraw/zinc/05/56/68/566055668.db2.gz CBYBHFAJJGCNSL-VIFPVBQESA-N 0 0 379.092 3.433 20 10 GGCDRN CCOc1cccc(CN(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1O ZINC000180795123 566089282 /nfs/dbraw/zinc/08/92/82/566089282.db2.gz CQGGKTHVNJVWSP-OAHLLOKOSA-N 0 0 381.881 3.405 20 10 GGCDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1cccc(Cl)c1O ZINC000289535247 566127112 /nfs/dbraw/zinc/12/71/12/566127112.db2.gz QBQAXBMAPZETHM-UHFFFAOYSA-N 0 0 382.869 3.107 20 10 GGCDRN CC(=O)C(=O)CSc1nc2ccc(Br)cc2c(=O)n1CC(C)C ZINC000289665176 566134381 /nfs/dbraw/zinc/13/43/81/566134381.db2.gz ORBNQFZIFOXPBO-UHFFFAOYSA-N 0 0 397.294 3.065 20 10 GGCDRN CC(=O)c1cc(Cl)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000181784626 566166131 /nfs/dbraw/zinc/16/61/31/566166131.db2.gz JOQUEDLCKVIAPG-QGZVFWFLSA-N 0 0 381.881 3.124 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCc2nn(C)cc21 ZINC000366965633 566179896 /nfs/dbraw/zinc/17/98/96/566179896.db2.gz GXLYCTBGICVGOZ-AWEZNQCLSA-N 0 0 392.297 3.357 20 10 GGCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)Cc2ccc(Cl)nc2)cc1 ZINC000263724649 566194539 /nfs/dbraw/zinc/19/45/39/566194539.db2.gz RZEMBHKILBFSCU-UHFFFAOYSA-N 0 0 379.913 3.295 20 10 GGCDRN COCc1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 ZINC000264580426 566218971 /nfs/dbraw/zinc/21/89/71/566218971.db2.gz GNKAERNZRIXVOC-FLIBITNWSA-N 0 0 381.504 3.112 20 10 GGCDRN CC[C@H](COC)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000265638176 566239843 /nfs/dbraw/zinc/23/98/43/566239843.db2.gz HNJNMVMKXZNVHW-XTCQQWIJSA-N 0 0 398.575 3.271 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000183443161 566246926 /nfs/dbraw/zinc/24/69/26/566246926.db2.gz DXUBITDTJXNUJB-HZMBPMFUSA-N 0 0 392.249 3.084 20 10 GGCDRN Cn1cc(C(=O)N2CCc3ccc(Br)cc32)c(-c2cccnc2)n1 ZINC000602232600 566455233 /nfs/dbraw/zinc/45/52/33/566455233.db2.gz FDKZMBUGHYUNGN-UHFFFAOYSA-N 0 0 383.249 3.448 20 10 GGCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(Br)ccc32)cn1 ZINC000495114897 567046165 /nfs/dbraw/zinc/04/61/65/567046165.db2.gz WIOVXCVRBUIRJI-UHFFFAOYSA-N 0 0 386.253 3.259 20 10 GGCDRN C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2cc(Cl)ccc2O1 ZINC000525187355 567234242 /nfs/dbraw/zinc/23/42/42/567234242.db2.gz UXSPNKRZMRQXMG-SECBINFHSA-N 0 0 381.866 3.321 20 10 GGCDRN COc1cc(Br)cc(CN2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664881 567537108 /nfs/dbraw/zinc/53/71/08/567537108.db2.gz GRGPPULDAUUSRH-UHFFFAOYSA-N 0 0 390.281 3.389 20 10 GGCDRN COc1ccc2c(c1)N(S(=O)(=O)c1cccc3nsnc31)CCCC2 ZINC000552851279 567613469 /nfs/dbraw/zinc/61/34/69/567613469.db2.gz RXTDGALFJXGUAV-UHFFFAOYSA-N 0 0 375.475 3.232 20 10 GGCDRN CC[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000048368362 570248114 /nfs/dbraw/zinc/24/81/14/570248114.db2.gz KIKIDTHQCTZXNI-FPOVZHCZSA-N 0 0 379.504 3.198 20 10 GGCDRN CCc1nc2ccccc2n1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000048375153 570249097 /nfs/dbraw/zinc/24/90/97/570249097.db2.gz 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GGCDRN Cn1c(-c2ccccc2)cnc1SC[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000132742659 1416810076 /nfs/dbraw/zinc/81/00/76/1416810076.db2.gz MFDYFMCDXQYQNO-SFHVURJKSA-N 0 0 388.514 3.316 20 10 GGCDRN COc1ccc(N(CCn2cc([N+](=O)[O-])ccc2=O)Cc2ccco2)cc1F ZINC000133051964 1416846284 /nfs/dbraw/zinc/84/62/84/1416846284.db2.gz QJMPYDIHYCMVPU-UHFFFAOYSA-N 0 0 387.367 3.204 20 10 GGCDRN Cc1cc(C(=O)CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000133170386 1416860042 /nfs/dbraw/zinc/86/00/42/1416860042.db2.gz AZMNKGHBKNSGKB-NVXWUHKLSA-N 0 0 376.522 3.030 20 10 GGCDRN CCS(=O)(=O)C[C@H](C)N(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000133169849 1416860143 /nfs/dbraw/zinc/86/01/43/1416860143.db2.gz VDDFOYFGCCOYJM-INIZCTEOSA-N 0 0 376.522 3.032 20 10 GGCDRN Cc1cc(C(=O)CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000133170228 1416860243 /nfs/dbraw/zinc/86/02/43/1416860243.db2.gz AZMNKGHBKNSGKB-DOTOQJQBSA-N 0 0 376.522 3.030 20 10 GGCDRN CCOCCC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000133225725 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3.492 20 10 GGCDRN C[C@@H](NC(=O)N(C)Cc1cccc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000134018535 1417010291 /nfs/dbraw/zinc/01/02/91/1417010291.db2.gz WKOKXBYHCIPGFE-GOSISDBHSA-N 0 0 396.535 3.492 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)nc(Cl)c1 ZINC000134075583 1417018140 /nfs/dbraw/zinc/01/81/40/1417018140.db2.gz ZHSGGPUTZALMFP-UHFFFAOYSA-N 0 0 383.231 3.218 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(CNc2ccn(CCC(N)=O)n2)cc1 ZINC000134128972 1417026435 /nfs/dbraw/zinc/02/64/35/1417026435.db2.gz BYXLWXFFLLOXFG-UHFFFAOYSA-N 0 0 377.492 3.397 20 10 GGCDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000134543353 1417084605 /nfs/dbraw/zinc/08/46/05/1417084605.db2.gz WZQXMUHNXMATAP-UHFFFAOYSA-N 0 0 386.393 3.126 20 10 GGCDRN CN1CCCc2cc(CNC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc21 ZINC000134545241 1417084869 /nfs/dbraw/zinc/08/48/69/1417084869.db2.gz CVHXEZVPURBPGT-UHFFFAOYSA-N 0 0 391.431 3.093 20 10 GGCDRN Cc1cncc(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000134544056 1417084903 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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000136213862 1417301325 /nfs/dbraw/zinc/30/13/25/1417301325.db2.gz QTACQPOTWTWABL-BJMVGYQFSA-N 0 0 395.459 3.133 20 10 GGCDRN Cc1c(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1C ZINC000136344557 1417311002 /nfs/dbraw/zinc/31/10/02/1417311002.db2.gz AQUOJTZSFILQSE-INIZCTEOSA-N 0 0 392.450 3.048 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc(Br)n1 ZINC000136500848 1417321726 /nfs/dbraw/zinc/32/17/26/1417321726.db2.gz QVCINDSDEPFGJL-UHFFFAOYSA-N 0 0 392.322 3.327 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NCCc3cc4ccccc4[nH]3)CC2)cc1F ZINC000136694192 1417339316 /nfs/dbraw/zinc/33/93/16/1417339316.db2.gz XLOULHGEMZGOKB-UHFFFAOYSA-N 0 0 396.466 3.390 20 10 GGCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(F)cccc1F ZINC000136807574 1417347507 /nfs/dbraw/zinc/34/75/07/1417347507.db2.gz KGZZNUNTSVWPIX-CYBMUJFWSA-N 0 0 392.421 3.485 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000136940864 1417356819 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3.258 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCCCNC(C)=O ZINC000137252252 1417377856 /nfs/dbraw/zinc/37/78/56/1417377856.db2.gz JRQJPJIFPSHSGB-UHFFFAOYSA-N 0 0 385.302 3.200 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1C(F)(F)F ZINC000137346316 1417381568 /nfs/dbraw/zinc/38/15/68/1417381568.db2.gz NLMUXVMGANOPMD-UHFFFAOYSA-N 0 0 397.372 3.131 20 10 GGCDRN Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1CCC(C)C ZINC000137621249 1417391895 /nfs/dbraw/zinc/39/18/95/1417391895.db2.gz GDQSJHQTFYCWOI-UHFFFAOYSA-N 0 0 388.487 3.143 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000139063179 1417446912 /nfs/dbraw/zinc/44/69/12/1417446912.db2.gz UFWFSRIUPQVLIW-UHFFFAOYSA-N 0 0 387.553 3.411 20 10 GGCDRN O=C(CNc1ccccc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000178833985 1429187140 /nfs/dbraw/zinc/18/71/40/1429187140.db2.gz MCPCJQFNFGJLDY-MRXNPFEDSA-N 0 0 375.419 3.485 20 10 GGCDRN C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000140005854 1417484408 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CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000161806858 1424768647 /nfs/dbraw/zinc/76/86/47/1424768647.db2.gz KQSRRFKJUXDORX-DAYGRLMNSA-N 0 0 397.466 3.059 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000161866041 1424782726 /nfs/dbraw/zinc/78/27/26/1424782726.db2.gz WWDORYPGZCOTJL-UHFFFAOYSA-N 0 0 394.510 3.405 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000161908229 1424793142 /nfs/dbraw/zinc/79/31/42/1424793142.db2.gz HODKYXKCMBAFJG-UHFFFAOYSA-N 0 0 397.401 3.235 20 10 GGCDRN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000161931252 1424800020 /nfs/dbraw/zinc/80/00/20/1424800020.db2.gz URGWQVUDCOLESH-JXEILBHSSA-N 0 0 380.488 3.165 20 10 GGCDRN COc1ccc(N2CCC(NS(=O)(=O)Cc3c(F)cccc3F)CC2)cc1 ZINC000161987739 1424806575 /nfs/dbraw/zinc/80/65/75/1424806575.db2.gz MRSMRGFVSUPXMQ-UHFFFAOYSA-N 0 0 396.459 3.062 20 10 GGCDRN COc1cccc([C@@H](O)C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000162306357 1424836016 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GGCDRN Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000162561148 1424866190 /nfs/dbraw/zinc/86/61/90/1424866190.db2.gz CTIWBJKFHKWCJS-HNNXBMFYSA-N 0 0 376.522 3.264 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCc3cc(C)cc(OC)c3)CC2)cc1 ZINC000162641531 1424874311 /nfs/dbraw/zinc/87/43/11/1424874311.db2.gz KCOLEVIIOBUULU-UHFFFAOYSA-N 0 0 383.492 3.434 20 10 GGCDRN COCc1ccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000162875180 1424898324 /nfs/dbraw/zinc/89/83/24/1424898324.db2.gz YWPTVHCAAOGJLQ-HXUWFJFHSA-N 0 0 399.491 3.309 20 10 GGCDRN COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)o1 ZINC000162875079 1424898427 /nfs/dbraw/zinc/89/84/27/1424898427.db2.gz YWPTVHCAAOGJLQ-FQEVSTJZSA-N 0 0 399.491 3.309 20 10 GGCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](O)c1ccccc1 ZINC000162917795 1424905360 /nfs/dbraw/zinc/90/53/60/1424905360.db2.gz MPKMUOUWMUXBRC-SFHVURJKSA-N 0 0 376.403 3.107 20 10 GGCDRN Cc1c(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000163056616 1424932877 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Cc1cccc(C)c1CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000164488468 1425116873 /nfs/dbraw/zinc/11/68/73/1425116873.db2.gz UJGIQSCRZKMJCJ-UHFFFAOYSA-N 0 0 399.510 3.446 20 10 GGCDRN Cc1cn2c(ncc(C(=O)N(Cc3ccco3)Cc3ccccc3O)c2=O)s1 ZINC000180168074 1429778734 /nfs/dbraw/zinc/77/87/34/1429778734.db2.gz IEEYNKBCWMSVBF-UHFFFAOYSA-N 0 0 395.440 3.206 20 10 GGCDRN Cc1nnc(-c2ccccc2C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000165469894 1425180416 /nfs/dbraw/zinc/18/04/16/1425180416.db2.gz HQQKGDPYOYPAOL-HNNXBMFYSA-N 0 0 392.459 3.373 20 10 GGCDRN COc1ccc(-c2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)n[nH]2)cc1 ZINC000165476094 1425180976 /nfs/dbraw/zinc/18/09/76/1425180976.db2.gz SLGGQMVMFXKCLF-UHFFFAOYSA-N 0 0 378.432 3.191 20 10 GGCDRN CN(C)c1nc2cc(NC(=O)NCc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000165593730 1425187970 /nfs/dbraw/zinc/18/79/70/1425187970.db2.gz QRDXKYNMJMPBQO-UHFFFAOYSA-N 0 0 395.463 3.052 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CNc3cccc(C(F)F)c3)CC2)cc1 ZINC000170642689 1425272590 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CCn1c(C)cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)c1C ZINC000170878030 1425379357 /nfs/dbraw/zinc/37/93/57/1425379357.db2.gz ALCATKSNYLQCIC-LGMDPLHJSA-N 0 0 393.578 3.048 20 10 GGCDRN CCn1c(CCNC(=O)N[C@H](C)c2cc(OC)ccc2O)nc2ccccc21 ZINC000170879988 1425379411 /nfs/dbraw/zinc/37/94/11/1425379411.db2.gz VFCMAVFWXLBLMQ-CQSZACIVSA-N 0 0 382.464 3.373 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N(Cc1cccnc1)C1CC1 ZINC000170899295 1425385053 /nfs/dbraw/zinc/38/50/53/1425385053.db2.gz QAERJUHUYCVXAC-UHFFFAOYSA-N 0 0 398.482 3.056 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1 ZINC000170900928 1425385512 /nfs/dbraw/zinc/38/55/12/1425385512.db2.gz LZKCBUBOYXIHTI-LLVKDONJSA-N 0 0 390.823 3.230 20 10 GGCDRN O=C(CCNC(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCCCC1 ZINC000171008528 1425434109 /nfs/dbraw/zinc/43/41/09/1425434109.db2.gz VJZIFJNPHIUZDZ-UHFFFAOYSA-N 0 0 385.464 3.100 20 10 GGCDRN C[C@H](O)c1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000171062266 1425462935 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390.528 3.151 20 10 GGCDRN CC1(C)CC(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)c(=O)[nH]c2C1 ZINC000171674063 1425785246 /nfs/dbraw/zinc/78/52/46/1425785246.db2.gz XHAPKRAORJAXJE-UHFFFAOYSA-N 0 0 393.487 3.060 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000171689701 1425790032 /nfs/dbraw/zinc/79/00/32/1425790032.db2.gz VLMMQAUVVDFTMK-QGZVFWFLSA-N 0 0 390.528 3.199 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000171718999 1425802044 /nfs/dbraw/zinc/80/20/44/1425802044.db2.gz MIUNTGBDTSYDMT-KRWDZBQOSA-N 0 0 390.528 3.341 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(Cn3cccn3)cc2)c1 ZINC000171733571 1425806327 /nfs/dbraw/zinc/80/63/27/1425806327.db2.gz CGUFOXKPUDBHJV-HNNXBMFYSA-N 0 0 380.448 3.206 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)Nc3cc(C(N)=O)ccc3F)cc2)CC1 ZINC000171736639 1425806796 /nfs/dbraw/zinc/80/67/96/1425806796.db2.gz PKCZMZBLGPATON-UHFFFAOYSA-N 0 0 384.455 3.483 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)Cc3ccccc3)cc2)CC1 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C[C@@H](CCNC(=O)NCc1ccc(N2CC=CC2)cc1)NC(=O)OC(C)(C)C ZINC000172700959 1426150216 /nfs/dbraw/zinc/15/02/16/1426150216.db2.gz VBSNYKRYIMIJRC-INIZCTEOSA-N 0 0 388.512 3.165 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000172705241 1426151448 /nfs/dbraw/zinc/15/14/48/1426151448.db2.gz NTPHTGYZRHSENM-OAQYLSRUSA-N 0 0 381.451 3.485 20 10 GGCDRN CCCNC(=O)c1cccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000172725849 1426162255 /nfs/dbraw/zinc/16/22/55/1426162255.db2.gz WHCQFAMYBWBJIJ-UHFFFAOYSA-N 0 0 395.503 3.188 20 10 GGCDRN COc1cc(C)cc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1O ZINC000826178261 1426179026 /nfs/dbraw/zinc/17/90/26/1426179026.db2.gz QFTBQVUMPVKSTL-UHFFFAOYSA-N 0 0 377.448 3.179 20 10 GGCDRN Cc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)ccc1-n1cncn1 ZINC000172815387 1426201483 /nfs/dbraw/zinc/20/14/83/1426201483.db2.gz WVAQXPHBYROAAQ-LZYBPNLTSA-N 0 0 379.470 3.377 20 10 GGCDRN CCn1nc(C)c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1Cl ZINC000172850865 1426219985 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Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173022784 1426311419 /nfs/dbraw/zinc/31/14/19/1426311419.db2.gz SLFHIGHGGYSFJH-AWEZNQCLSA-N 0 0 379.407 3.221 20 10 GGCDRN Nc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc(Cl)n1 ZINC000173024546 1426312579 /nfs/dbraw/zinc/31/25/79/1426312579.db2.gz BAHIWDZJDUEZHW-GFCCVEGCSA-N 0 0 396.825 3.317 20 10 GGCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc2nccn2c1 ZINC000173024018 1426312643 /nfs/dbraw/zinc/31/26/43/1426312643.db2.gz VHKRWNQXPMAFBP-OAHLLOKOSA-N 0 0 386.402 3.335 20 10 GGCDRN Cc1noc(CCCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000173024427 1426312785 /nfs/dbraw/zinc/31/27/85/1426312785.db2.gz FRXMMZAEHWASSL-AWEZNQCLSA-N 0 0 394.422 3.087 20 10 GGCDRN O=C(CCc1ccncc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173023809 1426312818 /nfs/dbraw/zinc/31/28/18/1426312818.db2.gz LFBKPMTXVPXGKC-MRXNPFEDSA-N 0 0 375.419 3.401 20 10 GGCDRN Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173025756 1426313594 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C[C@H](CCc1cccn1C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000173830561 1426863201 /nfs/dbraw/zinc/86/32/01/1426863201.db2.gz WLRZXADLWNEUQG-GOSISDBHSA-N 0 0 384.524 3.024 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000173863918 1426874520 /nfs/dbraw/zinc/87/45/20/1426874520.db2.gz PAAKWJGEQHXITP-UHFFFAOYSA-N 0 0 378.476 3.012 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc(C2CC2)sc1=S ZINC000173880848 1426880401 /nfs/dbraw/zinc/88/04/01/1426880401.db2.gz MUWZAQVBVCYTFO-UHFFFAOYSA-N 0 0 376.551 3.478 20 10 GGCDRN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821610963 1426923853 /nfs/dbraw/zinc/92/38/53/1426923853.db2.gz LTFGINIRPFNQEY-OAQYLSRUSA-N 0 0 392.507 3.022 20 10 GGCDRN O=C(NCc1cccnc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173988975 1426928677 /nfs/dbraw/zinc/92/86/77/1426928677.db2.gz UXIMQXFKBFFADB-OAHLLOKOSA-N 0 0 376.407 3.151 20 10 GGCDRN O=C(NCc1ccccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173988430 1426928874 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O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccccc1CN1CCOCC1 ZINC000175367877 1427712157 /nfs/dbraw/zinc/71/21/57/1427712157.db2.gz CWVPBIGYULJCPE-UHFFFAOYSA-N 0 0 395.503 3.425 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000175375523 1427718071 /nfs/dbraw/zinc/71/80/71/1427718071.db2.gz OHNWFJHCQJSMGA-OAQYLSRUSA-N 0 0 389.540 3.402 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1noc(Cc2ccccc2)n1 ZINC000175465944 1427770220 /nfs/dbraw/zinc/77/02/20/1427770220.db2.gz ASFNZRVNRHLTGJ-CQSZACIVSA-N 0 0 397.454 3.426 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nccn2CCc2ccccc2)c1 ZINC000175507681 1427796100 /nfs/dbraw/zinc/79/61/00/1427796100.db2.gz GWLDDCUCAIDPAT-MRXNPFEDSA-N 0 0 394.475 3.400 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175529482 1427805259 /nfs/dbraw/zinc/80/52/59/1427805259.db2.gz QJOBSROZFXUFME-ILBGXUMGSA-N 0 0 390.527 3.416 20 10 GGCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 ZINC000175538168 1427808178 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COCc1nnc(-c2cccc(C(=O)NCc3ccc4c(c3)CCCN4C)c2)o1 ZINC000183404102 1430702566 /nfs/dbraw/zinc/70/25/66/1430702566.db2.gz NGILTAHGENLIEJ-UHFFFAOYSA-N 0 0 392.459 3.195 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000183429550 1430709456 /nfs/dbraw/zinc/70/94/56/1430709456.db2.gz HMJISZSXIOVGHS-NNGSBXSVSA-N 0 0 388.508 3.010 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000183429571 1430709461 /nfs/dbraw/zinc/70/94/61/1430709461.db2.gz HMJISZSXIOVGHS-RWBZWWBESA-N 0 0 388.508 3.010 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000183436214 1430711804 /nfs/dbraw/zinc/71/18/04/1430711804.db2.gz DXHWJNYGJLGIEF-CQSZACIVSA-N 0 0 395.459 3.203 20 10 GGCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183445294 1430713420 /nfs/dbraw/zinc/71/34/20/1430713420.db2.gz UTQDHHYZRZBTBQ-CQSZACIVSA-N 0 0 379.460 3.190 20 10 GGCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183445552 1430713952 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377.444 3.133 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000183465981 1430718441 /nfs/dbraw/zinc/71/84/41/1430718441.db2.gz SYJJYBUQFOJWOX-AWEZNQCLSA-N 0 0 381.432 3.218 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000183469822 1430719558 /nfs/dbraw/zinc/71/95/58/1430719558.db2.gz RCAVWVQGJBZLDE-QMHKHESXSA-N 0 0 396.487 3.088 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000183472488 1430720316 /nfs/dbraw/zinc/72/03/16/1430720316.db2.gz QLBMPTAOOWYUPU-CYBMUJFWSA-N 0 0 390.867 3.009 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000183476131 1430721755 /nfs/dbraw/zinc/72/17/55/1430721755.db2.gz DJQFKDGVVPQHIP-CYBMUJFWSA-N 0 0 395.434 3.272 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000183484844 1430724157 /nfs/dbraw/zinc/72/41/57/1430724157.db2.gz BJKMTCCSOMOYMO-HNNXBMFYSA-N 0 0 392.455 3.118 20 10 GGCDRN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000183489660 1430725627 /nfs/dbraw/zinc/72/56/27/1430725627.db2.gz MACHHBIWNBQYOC-OAHLLOKOSA-N 0 0 382.460 3.041 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000183509243 1430731069 /nfs/dbraw/zinc/73/10/69/1430731069.db2.gz FEZROCDKJKJBPB-QFIPXVFZSA-N 0 0 379.504 3.440 20 10 GGCDRN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000183514279 1430732235 /nfs/dbraw/zinc/73/22/35/1430732235.db2.gz FOIWHRNMPQLVGX-UHFFFAOYSA-N 0 0 375.856 3.465 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)/C=C/c3ccc(OC)c(O)c3)CC2)cc1 ZINC000183543145 1430738791 /nfs/dbraw/zinc/73/87/91/1430738791.db2.gz YSVMQHYRCOWTMU-ONNFQVAWSA-N 0 0 382.460 3.208 20 10 GGCDRN C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccn1 ZINC000183598673 1430751239 /nfs/dbraw/zinc/75/12/39/1430751239.db2.gz RRDKOAUVMXZFQC-AWEZNQCLSA-N 0 0 385.423 3.146 20 10 GGCDRN C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccn1 ZINC000183598689 1430751311 /nfs/dbraw/zinc/75/13/11/1430751311.db2.gz RRDKOAUVMXZFQC-CQSZACIVSA-N 0 0 385.423 3.146 20 10 GGCDRN COc1cc(N2CCN(CCc3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000183697249 1430775479 /nfs/dbraw/zinc/77/54/79/1430775479.db2.gz JXQXFSVZZNTFOL-UHFFFAOYSA-N 0 0 392.446 3.355 20 10 GGCDRN COc1cc(N2CCN(Cc3ccnc(Cl)c3)CC2)cc(OC)c1OC ZINC000183697566 1430775826 /nfs/dbraw/zinc/77/58/26/1430775826.db2.gz JQLPFSPOHKDIKE-UHFFFAOYSA-N 0 0 377.872 3.083 20 10 GGCDRN COc1cc(N2CCN(Cc3cccc(Cl)n3)CC2)cc(OC)c1OC ZINC000183700761 1430776752 /nfs/dbraw/zinc/77/67/52/1430776752.db2.gz BOSOUBZCZWIHSA-UHFFFAOYSA-N 0 0 377.872 3.083 20 10 GGCDRN COc1cc(N2CCN(Cc3c(F)cccc3F)CC2)cc(OC)c1OC ZINC000183701852 1430777122 /nfs/dbraw/zinc/77/71/22/1430777122.db2.gz DRGOMJWWRSREBJ-UHFFFAOYSA-N 0 0 378.419 3.313 20 10 GGCDRN COc1cc(N2CCN(Cc3ccc(F)cc3F)CC2)cc(OC)c1OC ZINC000183703654 1430777506 /nfs/dbraw/zinc/77/75/06/1430777506.db2.gz BVILQKDNEFRJJZ-UHFFFAOYSA-N 0 0 378.419 3.313 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 ZINC000183790522 1430794551 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/nfs/dbraw/zinc/40/20/69/1432402069.db2.gz GDFDVJFYWYRXFB-IBGZPJMESA-N 0 0 398.478 3.229 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)c3ccccc3F)cc2)CC1 ZINC000190577712 1432411586 /nfs/dbraw/zinc/41/15/86/1432411586.db2.gz GHLZQTOBYYYUEF-QGZVFWFLSA-N 0 0 397.494 3.304 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccccc3C)cc2)CC1 ZINC000190582450 1432412559 /nfs/dbraw/zinc/41/25/59/1432412559.db2.gz IKQAVTOQPKMYSO-IBGZPJMESA-N 0 0 393.531 3.474 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H](C)c3cccc(F)c3)cc2)CC1 ZINC000190580617 1432412648 /nfs/dbraw/zinc/41/26/48/1432412648.db2.gz FDJFIOHJCCYLSZ-QGZVFWFLSA-N 0 0 397.494 3.304 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000190582365 1432412708 /nfs/dbraw/zinc/41/27/08/1432412708.db2.gz FXVYRTTVWJCJMB-UHFFFAOYSA-N 0 0 399.922 3.258 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C(F)F)c3)cc2)CC1 ZINC000190584279 1432413025 /nfs/dbraw/zinc/41/30/25/1432413025.db2.gz GVADRSSXNZDCHV-UHFFFAOYSA-N 0 0 387.430 3.223 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N3CCC([C@@H]4CCCO4)CC3)CC2)cc1 ZINC000190688161 1432443076 /nfs/dbraw/zinc/44/30/76/1432443076.db2.gz MGMURXQSYVKAOZ-NRFANRHFSA-N 0 0 387.524 3.265 20 10 GGCDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000190822139 1432494599 /nfs/dbraw/zinc/49/45/99/1432494599.db2.gz KFMNFZHYGWEEPT-JOCHJYFZSA-N 0 0 379.504 3.462 20 10 GGCDRN CC[C@@]1(CO)CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190860955 1432511623 /nfs/dbraw/zinc/51/16/23/1432511623.db2.gz YMWYFDLEYHFDLS-YWZLYKJASA-N 0 0 397.466 3.203 20 10 GGCDRN CC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190860918 1432511631 /nfs/dbraw/zinc/51/16/31/1432511631.db2.gz YMWYFDLEYHFDLS-QRWLVFNGSA-N 0 0 397.466 3.203 20 10 GGCDRN Cc1cnn(-c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2F)c1 ZINC000190964781 1432539196 /nfs/dbraw/zinc/53/91/96/1432539196.db2.gz NLLHOQIKLQAYAB-CYBMUJFWSA-N 0 0 384.411 3.484 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000190976132 1432541487 /nfs/dbraw/zinc/54/14/87/1432541487.db2.gz JOMCHVWQLAWSCO-OAHLLOKOSA-N 0 0 393.443 3.061 20 10 GGCDRN COc1ccc(N(Cc2ccco2)Cc2nnnn2CC(F)(F)F)cc1F ZINC000190995624 1432545892 /nfs/dbraw/zinc/54/58/92/1432545892.db2.gz NOIRVNGDJNIOPX-UHFFFAOYSA-N 0 0 385.321 3.183 20 10 GGCDRN C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000191211316 1432593297 /nfs/dbraw/zinc/59/32/97/1432593297.db2.gz CHRGUVZAYYIJPR-CYBMUJFWSA-N 0 0 390.430 3.221 20 10 GGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000191215083 1432594374 /nfs/dbraw/zinc/59/43/74/1432594374.db2.gz ZHDZLIPAXLMKBT-VXGBXAGGSA-N 0 0 384.448 3.333 20 10 GGCDRN COCCNc1ccccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000191286512 1432621055 /nfs/dbraw/zinc/62/10/55/1432621055.db2.gz VEIZOUVYVJRDPE-DHZHZOJOSA-N 0 0 381.476 3.233 20 10 GGCDRN COCN1C(=O)CCc2cc(NCc3ccc(N4CCOCC4)cc3)ccc21 ZINC000191954528 1432765999 /nfs/dbraw/zinc/76/59/99/1432765999.db2.gz DJKKTOFHQMDBOF-UHFFFAOYSA-N 0 0 381.476 3.018 20 10 GGCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@H]2C)c(C)n1-c1ccccc1C ZINC000192088240 1432796549 /nfs/dbraw/zinc/79/65/49/1432796549.db2.gz ZQWGGTZVMSIHKN-MRXNPFEDSA-N 0 0 388.533 3.094 20 10 GGCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@H]2C)c(C)n1-c1ccc(C)cc1 ZINC000192092646 1432796810 /nfs/dbraw/zinc/79/68/10/1432796810.db2.gz SUJTYFPUDNZBQT-MRXNPFEDSA-N 0 0 388.533 3.094 20 10 GGCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000192094640 1432797213 /nfs/dbraw/zinc/79/72/13/1432797213.db2.gz IQXCPEMJNXXYBG-INIZCTEOSA-N 0 0 388.533 3.094 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000192313623 1432830585 /nfs/dbraw/zinc/83/05/85/1432830585.db2.gz LPULEYJXJLJPOI-KRWDZBQOSA-N 0 0 388.533 3.360 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(c2ccncc2)CC1 ZINC000192331880 1432832934 /nfs/dbraw/zinc/83/29/34/1432832934.db2.gz FTQZTXTVDPPSEZ-UHFFFAOYSA-N 0 0 398.482 3.147 20 10 GGCDRN COc1ccc(N2CCN(C[C@@H](O)c3cccc(Br)c3)CC2)cc1 ZINC000192526414 1432855057 /nfs/dbraw/zinc/85/50/57/1432855057.db2.gz SETVVAFNKBHAPR-LJQANCHMSA-N 0 0 391.309 3.313 20 10 GGCDRN Cc1ccc(CS(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000192685226 1432875257 /nfs/dbraw/zinc/87/52/57/1432875257.db2.gz KCLJSOIFISEJSA-SFHVURJKSA-N 0 0 393.480 3.351 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000192706994 1432877716 /nfs/dbraw/zinc/87/77/16/1432877716.db2.gz WTUBQJRCDGHHSQ-UHFFFAOYSA-N 0 0 386.521 3.123 20 10 GGCDRN CN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CCCC1 ZINC000192834715 1432896820 /nfs/dbraw/zinc/89/68/20/1432896820.db2.gz PNYRGHLEVIUGAK-UHFFFAOYSA-N 0 0 378.384 3.385 20 10 GGCDRN CCS(=O)(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000192838475 1432897274 /nfs/dbraw/zinc/89/72/74/1432897274.db2.gz JHTHUJCYCLIMAA-UHFFFAOYSA-N 0 0 392.496 3.273 20 10 GGCDRN CCS(=O)(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000192841094 1432897788 /nfs/dbraw/zinc/89/77/88/1432897788.db2.gz VBTOWYASVFRNPD-UHFFFAOYSA-N 0 0 388.533 3.442 20 10 GGCDRN Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c(C)n1-c1ccccn1 ZINC000192844673 1432898073 /nfs/dbraw/zinc/89/80/73/1432898073.db2.gz IRZFMFKHQQQDHG-UHFFFAOYSA-N 0 0 388.471 3.087 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CSc3ccc(Cl)cn3)CC2)cc1 ZINC000192855197 1432899390 /nfs/dbraw/zinc/89/93/90/1432899390.db2.gz LSBHSVVJONTCHX-UHFFFAOYSA-N 0 0 377.897 3.185 20 10 GGCDRN CCCc1csc(NC(=O)C(=O)NCc2ccc(N(CC)CC)c(F)c2)n1 ZINC000192913429 1432906719 /nfs/dbraw/zinc/90/67/19/1432906719.db2.gz BPQRAZJGZJMFBQ-UHFFFAOYSA-N 0 0 392.500 3.336 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000192919232 1432907739 /nfs/dbraw/zinc/90/77/39/1432907739.db2.gz NGIGFGKNCYRQEX-UHFFFAOYSA-N 0 0 377.448 3.235 20 10 GGCDRN CCOc1ccc(C2=N/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)O2)cc1 ZINC000192919119 1432907805 /nfs/dbraw/zinc/90/78/05/1432907805.db2.gz NXRRSDUZUDHTFB-HMMYKYKNSA-N 0 0 378.428 3.266 20 10 GGCDRN COCc1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000192987730 1432917827 /nfs/dbraw/zinc/91/78/27/1432917827.db2.gz MRPDMXALAZHNIC-UHFFFAOYSA-N 0 0 394.427 3.299 20 10 GGCDRN COCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000193002140 1432920186 /nfs/dbraw/zinc/92/01/86/1432920186.db2.gz SSKVOPYOEDTKQV-UHFFFAOYSA-N 0 0 395.503 3.420 20 10 GGCDRN O=C1N=C(NC2CCCCC2)SC1=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193041230 1432926407 /nfs/dbraw/zinc/92/64/07/1432926407.db2.gz ACQZDPYZEZZIPV-RIYZIHGNSA-N 0 0 376.394 3.396 20 10 GGCDRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000193069338 1432931428 /nfs/dbraw/zinc/93/14/28/1432931428.db2.gz ZHTQNUUWJZINSY-UHFFFAOYSA-N 0 0 392.814 3.381 20 10 GGCDRN Cc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000193073326 1432932413 /nfs/dbraw/zinc/93/24/13/1432932413.db2.gz KAJAKXLRMWAMFB-MRXNPFEDSA-N 0 0 381.455 3.382 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(C(=O)OC)cc1 ZINC000193110242 1432937234 /nfs/dbraw/zinc/93/72/34/1432937234.db2.gz XKNAIGJPDLXIPP-UHFFFAOYSA-N 0 0 383.492 3.313 20 10 GGCDRN Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000193108389 1432937273 /nfs/dbraw/zinc/93/72/73/1432937273.db2.gz HSCHFWUMXIQEPE-UHFFFAOYSA-N 0 0 380.492 3.414 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000193144896 1432944224 /nfs/dbraw/zinc/94/42/24/1432944224.db2.gz ZWFMWCJPELMQBP-UHFFFAOYSA-N 0 0 389.402 3.143 20 10 GGCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CC2OCCCO2)cc1 ZINC000193215537 1432960266 /nfs/dbraw/zinc/96/02/66/1432960266.db2.gz WUCLPWGBZOECAM-UHFFFAOYSA-N 0 0 384.476 3.448 20 10 GGCDRN CC(C)N(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1 ZINC000193217596 1432960647 /nfs/dbraw/zinc/96/06/47/1432960647.db2.gz REXQGOKAPRWNTC-UHFFFAOYSA-N 0 0 378.384 3.383 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Cl)c(OC)c1 ZINC000193378489 1432987639 /nfs/dbraw/zinc/98/76/39/1432987639.db2.gz NTRSTPFTTHPAOA-UHFFFAOYSA-N 0 0 376.840 3.432 20 10 GGCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000193392428 1432990013 /nfs/dbraw/zinc/99/00/13/1432990013.db2.gz VEYLCMSYZQLTKH-UHFFFAOYSA-N 0 0 386.467 3.492 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc2c(c1)CCO2 ZINC000193566363 1433020817 /nfs/dbraw/zinc/02/08/17/1433020817.db2.gz STHVMQDSMAUBJE-UHFFFAOYSA-N 0 0 381.476 3.152 20 10 GGCDRN O=C(Nc1ccc(-n2cccn2)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193580775 1433023018 /nfs/dbraw/zinc/02/30/18/1433023018.db2.gz UUOIKMONFBMRIA-GOSISDBHSA-N 0 0 393.447 3.186 20 10 GGCDRN O=[N+]([O-])c1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000193605325 1433027602 /nfs/dbraw/zinc/02/76/02/1433027602.db2.gz PQYQDNPDEWFKFJ-KRWDZBQOSA-N 0 0 387.392 3.390 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000193630732 1433031271 /nfs/dbraw/zinc/03/12/71/1433031271.db2.gz VRWUJTKYIDKYMK-KRWDZBQOSA-N 0 0 383.492 3.416 20 10 GGCDRN CC(C)OCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000193726413 1433048071 /nfs/dbraw/zinc/04/80/71/1433048071.db2.gz RJRSLUXFEKOMTM-UHFFFAOYSA-N 0 0 383.492 3.275 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)CCc2nc(-c3ccccn3)no2)cc1 ZINC000193747581 1433051554 /nfs/dbraw/zinc/05/15/54/1433051554.db2.gz GNIUTXVDTYGLAO-UHFFFAOYSA-N 0 0 379.464 3.227 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000193780090 1433057708 /nfs/dbraw/zinc/05/77/08/1433057708.db2.gz QDTWFRYKAGGVIH-UHFFFAOYSA-N 0 0 391.418 3.389 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3cccnc32)cc1 ZINC000193779814 1433057758 /nfs/dbraw/zinc/05/77/58/1433057758.db2.gz STAAQACZRAGAEQ-UHFFFAOYSA-N 0 0 376.460 3.336 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)c(C)c2)cc1 ZINC000193781056 1433057978 /nfs/dbraw/zinc/05/79/78/1433057978.db2.gz CYOGHISELZEEPE-UHFFFAOYSA-N 0 0 382.508 3.162 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000193781095 1433058090 /nfs/dbraw/zinc/05/80/90/1433058090.db2.gz DDLREZXJRCPAMI-UHFFFAOYSA-N 0 0 382.489 3.397 20 10 GGCDRN C[C@@H]1CCCC[C@H]1OCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000193814744 1433065729 /nfs/dbraw/zinc/06/57/29/1433065729.db2.gz TVVBOXVPUWXLFI-WIYYLYMNSA-N 0 0 389.540 3.260 20 10 GGCDRN Cc1ccc(NCCCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nc1 ZINC000193853561 1433073363 /nfs/dbraw/zinc/07/33/63/1433073363.db2.gz QOXZMLZCRZLAIO-LJQANCHMSA-N 0 0 398.507 3.288 20 10 GGCDRN COc1ccccc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000193903101 1433081332 /nfs/dbraw/zinc/08/13/32/1433081332.db2.gz RXBHSLDRFLNWFD-UHFFFAOYSA-N 0 0 380.400 3.161 20 10 GGCDRN CN(C)c1ccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000193903291 1433081341 /nfs/dbraw/zinc/08/13/41/1433081341.db2.gz MQRNFKCUSTVHEB-UHFFFAOYSA-N 0 0 393.443 3.219 20 10 GGCDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000193903233 1433081379 /nfs/dbraw/zinc/08/13/79/1433081379.db2.gz YEDCFDMJKHGVPX-UHFFFAOYSA-N 0 0 395.371 3.061 20 10 GGCDRN CCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000193905474 1433081819 /nfs/dbraw/zinc/08/18/19/1433081819.db2.gz OWXIURXPDAQCHE-SFHVURJKSA-N 0 0 382.460 3.101 20 10 GGCDRN CCc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193905490 1433081824 /nfs/dbraw/zinc/08/18/24/1433081824.db2.gz OWXIURXPDAQCHE-GOSISDBHSA-N 0 0 382.460 3.101 20 10 GGCDRN Cc1cc(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)c1 ZINC000193904828 1433081963 /nfs/dbraw/zinc/08/19/63/1433081963.db2.gz FWIIAPADBXGVQA-LJQANCHMSA-N 0 0 396.487 3.464 20 10 GGCDRN Cc1cc(C)cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000193905174 1433082031 /nfs/dbraw/zinc/08/20/31/1433082031.db2.gz OMUGISYMJZNYCG-IBGZPJMESA-N 0 0 382.460 3.155 20 10 GGCDRN CCn1cnnc1-c1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000193953639 1433091534 /nfs/dbraw/zinc/09/15/34/1433091534.db2.gz SYPRCVOQGYSBJS-ZDUSSCGKSA-N 0 0 381.436 3.129 20 10 GGCDRN CCn1cnnc1-c1ccccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000193953655 1433091644 /nfs/dbraw/zinc/09/16/44/1433091644.db2.gz SYPRCVOQGYSBJS-CYBMUJFWSA-N 0 0 381.436 3.129 20 10 GGCDRN Cc1nc(C)n(-c2ccccc2NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000193964250 1433093257 /nfs/dbraw/zinc/09/32/57/1433093257.db2.gz RQHCAYMHQKDSBS-LBPRGKRZSA-N 0 0 381.436 3.048 20 10 GGCDRN O=C(CN1CCCc2cc(OC(F)F)ccc21)N1CC(=O)Nc2ccccc21 ZINC000193988276 1433096729 /nfs/dbraw/zinc/09/67/29/1433096729.db2.gz ALNRIGRKDOANDM-UHFFFAOYSA-N 0 0 387.386 3.026 20 10 GGCDRN Cc1nc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1Br ZINC000194005509 1433099454 /nfs/dbraw/zinc/09/94/54/1433099454.db2.gz WNHMNXIVLSDTNO-SECBINFHSA-N 0 0 380.242 3.316 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000194015622 1433101188 /nfs/dbraw/zinc/10/11/88/1433101188.db2.gz QNSANLHXCKHHMS-UHFFFAOYSA-N 0 0 394.519 3.340 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(NC(C)=O)c1C ZINC000194015147 1433101197 /nfs/dbraw/zinc/10/11/97/1433101197.db2.gz XBTMTALNDXDDSS-UHFFFAOYSA-N 0 0 396.491 3.007 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000194016469 1433101213 /nfs/dbraw/zinc/10/12/13/1433101213.db2.gz WMLRQXWEMWKUIT-UHFFFAOYSA-N 0 0 391.418 3.027 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000194057349 1433109266 /nfs/dbraw/zinc/10/92/66/1433109266.db2.gz NSHNQYPPHPTBBA-UHFFFAOYSA-N 0 0 390.487 3.011 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ncsc2c1 ZINC000194058289 1433109531 /nfs/dbraw/zinc/10/95/31/1433109531.db2.gz RNDJQUDPCKYUIC-UHFFFAOYSA-N 0 0 381.501 3.435 20 10 GGCDRN COc1cccc([C@@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000194059198 1433109591 /nfs/dbraw/zinc/10/95/91/1433109591.db2.gz GKSFOYKTGSAMOJ-QGZVFWFLSA-N 0 0 382.504 3.324 20 10 GGCDRN C[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194061658 1433109790 /nfs/dbraw/zinc/10/97/90/1433109790.db2.gz LXQVQNREQBHHJC-RDJZCZTQSA-N 0 0 377.504 3.412 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(C2CCCC2)c1C ZINC000194074503 1433112403 /nfs/dbraw/zinc/11/24/03/1433112403.db2.gz XENFHYOGBDESTB-UHFFFAOYSA-N 0 0 384.480 3.390 20 10 GGCDRN COc1cccc(C2=NO[C@H](C(=O)NCc3ccc(N4CCCC4)cc3)C2)c1 ZINC000194106832 1433118772 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C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272391728 1434893211 /nfs/dbraw/zinc/89/32/11/1434893211.db2.gz GXCGBDCBMGGDTO-ZYUDAIQPSA-N 0 0 390.480 3.263 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000272391745 1434893236 /nfs/dbraw/zinc/89/32/36/1434893236.db2.gz GYGFEDBPBNNYHO-NCUBBLFSSA-N 0 0 395.459 3.314 20 10 GGCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000272452693 1434897405 /nfs/dbraw/zinc/89/74/05/1434897405.db2.gz QSRYNBBYVNASBN-WBVHZDCISA-N 0 0 390.528 3.197 20 10 GGCDRN OCC1CCN(c2ccc(CNc3nnc(-c4ccccn4)s3)cc2)CC1 ZINC000272586352 1434911164 /nfs/dbraw/zinc/91/11/64/1434911164.db2.gz VVMDKNPQZBQDKB-UHFFFAOYSA-N 0 0 381.505 3.421 20 10 GGCDRN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272725259 1434926239 /nfs/dbraw/zinc/92/62/39/1434926239.db2.gz KOAJMNFCMVTBOU-OXJNMPFZSA-N 0 0 378.488 3.120 20 10 GGCDRN COC(=O)NCc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000272774119 1434930105 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COc1cc(OC)c(OC)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000272898114 1434939584 /nfs/dbraw/zinc/93/95/84/1434939584.db2.gz ZXAPSNOGKKMGHZ-UHFFFAOYSA-N 0 0 387.436 3.209 20 10 GGCDRN Cc1ccc(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c(O)c1O ZINC000273045245 1434954515 /nfs/dbraw/zinc/95/45/15/1434954515.db2.gz VWURBDHEINTDLG-HNNXBMFYSA-N 0 0 379.359 3.221 20 10 GGCDRN Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c(O)c1O ZINC000273045246 1434954579 /nfs/dbraw/zinc/95/45/79/1434954579.db2.gz VWURBDHEINTDLG-OAHLLOKOSA-N 0 0 379.359 3.221 20 10 GGCDRN COc1cccc(CNC(=O)NCCCCC(=O)OCc2ccccc2)c1O ZINC000273061199 1434956588 /nfs/dbraw/zinc/95/65/88/1434956588.db2.gz XNXWVIGYZFJXGQ-UHFFFAOYSA-N 0 0 386.448 3.114 20 10 GGCDRN CSc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 ZINC000273072482 1434957815 /nfs/dbraw/zinc/95/78/15/1434957815.db2.gz ABKVEPMMHKPARI-UHFFFAOYSA-N 0 0 390.484 3.225 20 10 GGCDRN COc1cccc(C2=CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C2)c1 ZINC000273385216 1434985318 /nfs/dbraw/zinc/98/53/18/1434985318.db2.gz IYSZANZRJULFRC-UHFFFAOYSA-N 0 0 393.487 3.141 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387121 1434985374 /nfs/dbraw/zinc/98/53/74/1434985374.db2.gz JVDCPPVZALKVHL-DJJJIMSYSA-N 0 0 385.420 3.269 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387119 1434985378 /nfs/dbraw/zinc/98/53/78/1434985378.db2.gz JVDCPPVZALKVHL-BFUOFWGJSA-N 0 0 385.420 3.269 20 10 GGCDRN CSCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273393003 1434985926 /nfs/dbraw/zinc/98/59/26/1434985926.db2.gz LCKMSJPIAPIJOB-SWLSCSKDSA-N 0 0 387.465 3.488 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000273434848 1434988697 /nfs/dbraw/zinc/98/86/97/1434988697.db2.gz WPWPHIUGTXVGAC-BEFAXECRSA-N 0 0 382.460 3.193 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273438484 1434988907 /nfs/dbraw/zinc/98/89/07/1434988907.db2.gz XTOFPFSTRCVZSL-ZDUSSCGKSA-N 0 0 389.427 3.251 20 10 GGCDRN COc1cc(N2CCN(c3ncc(Cl)cc3F)CC2)cc(OC)c1OC ZINC000273480193 1434991468 /nfs/dbraw/zinc/99/14/68/1434991468.db2.gz MJISUBUQTCYNTJ-UHFFFAOYSA-N 0 0 381.835 3.227 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000273533250 1434995036 /nfs/dbraw/zinc/99/50/36/1434995036.db2.gz WUWYMGUCVFJAIQ-HOTGVXAUSA-N 0 0 383.492 3.450 20 10 GGCDRN C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273562317 1434996997 /nfs/dbraw/zinc/99/69/97/1434996997.db2.gz ILMKVEKBEATXPJ-ZDUSSCGKSA-N 0 0 375.400 3.127 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC000273582481 1434998085 /nfs/dbraw/zinc/99/80/85/1434998085.db2.gz MZTFHECHTVHZMM-CQSZACIVSA-N 0 0 388.439 3.005 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC000273582480 1434998193 /nfs/dbraw/zinc/99/81/93/1434998193.db2.gz MZTFHECHTVHZMM-AWEZNQCLSA-N 0 0 388.439 3.005 20 10 GGCDRN COc1ccc(C(=O)CC(C)(C)CC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000273648265 1435002354 /nfs/dbraw/zinc/00/23/54/1435002354.db2.gz GJCRQZOXCZIKRM-UHFFFAOYSA-N 0 0 385.460 3.454 20 10 GGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NC2(CO)CCOCC2)cc1 ZINC000274101255 1435043714 /nfs/dbraw/zinc/04/37/14/1435043714.db2.gz YDSOEXBCYRYHQU-WCWDXBQESA-N 0 0 382.464 3.439 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1cn2c(n1)SCC2 ZINC000274347163 1435063828 /nfs/dbraw/zinc/06/38/28/1435063828.db2.gz JRZGLUJVHBHCAP-UHFFFAOYSA-N 0 0 399.564 3.363 20 10 GGCDRN COCCOc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000274913574 1435103165 /nfs/dbraw/zinc/10/31/65/1435103165.db2.gz JLNUDQBVZMJHPP-LBPRGKRZSA-N 0 0 379.840 3.137 20 10 GGCDRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274941140 1435104661 /nfs/dbraw/zinc/10/46/61/1435104661.db2.gz PRJJOJZPUACSNM-RNODOKPDSA-N 0 0 380.485 3.086 20 10 GGCDRN CCOCc1cc(CN[C@H](C(=O)OC)c2ccc3c(c2)CCO3)ccc1OC ZINC000275112425 1435116850 /nfs/dbraw/zinc/11/68/50/1435116850.db2.gz GQHNPKMBCJMAHG-NRFANRHFSA-N 0 0 385.460 3.171 20 10 GGCDRN CCOC(=O)[C@@H](NCc1cccc(OCC)c1O)c1ccc(OC)c(F)c1 ZINC000275119837 1435117418 /nfs/dbraw/zinc/11/74/18/1435117418.db2.gz IYXQXIGRJWERDS-SFHVURJKSA-N 0 0 377.412 3.333 20 10 GGCDRN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000275133875 1435118300 /nfs/dbraw/zinc/11/83/00/1435118300.db2.gz NGYDSABTJUQPQV-PQCZLFTGSA-N 0 0 377.488 3.312 20 10 GGCDRN O=[N+]([O-])c1ccc2c(c1NCc1ccc(N3CCC(CO)CC3)cc1)CCN2 ZINC000275306910 1435130210 /nfs/dbraw/zinc/13/02/10/1435130210.db2.gz BMNQQSDTVPRMLB-UHFFFAOYSA-N 0 0 382.464 3.384 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000275330611 1435131852 /nfs/dbraw/zinc/13/18/52/1435131852.db2.gz RASKHGUWHHHIQT-LEWJYISDSA-N 0 0 382.508 3.147 20 10 GGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)c(C)n1-c1ccc(F)cc1 ZINC000275374652 1435134811 /nfs/dbraw/zinc/13/48/11/1435134811.db2.gz PVADZSQAFYLBNC-OALUTQOASA-N 0 0 382.439 3.227 20 10 GGCDRN CC(=O)N1CCN(Cc2cccc(NCc3ccc(N(C)C)c(F)c3)c2)CC1 ZINC000275389908 1435136091 /nfs/dbraw/zinc/13/60/91/1435136091.db2.gz ATQRUBVCOLUZQX-UHFFFAOYSA-N 0 0 384.499 3.168 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3c(F)c(F)cc(F)c3F)c2)CC1 ZINC000275421639 1435138199 /nfs/dbraw/zinc/13/81/99/1435138199.db2.gz AAMQWEKQWCYMEY-UHFFFAOYSA-N 0 0 395.356 3.164 20 10 GGCDRN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)n1 ZINC000275477463 1435142082 /nfs/dbraw/zinc/14/20/82/1435142082.db2.gz VDTMXACSEGPKHZ-RMQQFATJSA-N 0 0 392.459 3.133 20 10 GGCDRN CSc1nnc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000275530709 1435145987 /nfs/dbraw/zinc/14/59/87/1435145987.db2.gz XBIGKEIZPANYIL-UHFFFAOYSA-N 0 0 391.566 3.496 20 10 GGCDRN O=C(Nc1ccc(OC2COC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000275540221 1435146787 /nfs/dbraw/zinc/14/67/87/1435146787.db2.gz ZKWIMNCKQQFPAT-LJQANCHMSA-N 0 0 398.459 3.383 20 10 GGCDRN COc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccc1F ZINC000275589686 1435150932 /nfs/dbraw/zinc/15/09/32/1435150932.db2.gz GMPPAFLPKHQWBF-UHFFFAOYSA-N 0 0 385.439 3.030 20 10 GGCDRN COCc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000275634996 1435154993 /nfs/dbraw/zinc/15/49/93/1435154993.db2.gz BTVHZSUMDRAPBA-UHFFFAOYSA-N 0 0 383.492 3.275 20 10 GGCDRN COc1cccc(CNC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000275712907 1435162125 /nfs/dbraw/zinc/16/21/25/1435162125.db2.gz NBQZFFQRPRWSMH-LSDHHAIUSA-N 0 0 393.484 3.036 20 10 GGCDRN CCn1nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1C1CC1 ZINC000275717866 1435162522 /nfs/dbraw/zinc/16/25/22/1435162522.db2.gz NACGBJHVDSYXHZ-UHFFFAOYSA-N 0 0 397.523 3.222 20 10 GGCDRN CCOc1ncccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275730370 1435163346 /nfs/dbraw/zinc/16/33/46/1435163346.db2.gz AHQQVTFYEBHSNP-UHFFFAOYSA-N 0 0 382.464 3.224 20 10 GGCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc3c2OCCO3)cc1 ZINC000275739436 1435164399 /nfs/dbraw/zinc/16/43/99/1435164399.db2.gz BSSZLVGRLBBQFX-UHFFFAOYSA-N 0 0 395.459 3.202 20 10 GGCDRN C[C@@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000275757142 1435166042 /nfs/dbraw/zinc/16/60/42/1435166042.db2.gz KABOOGQTQUWZKL-RHSMWYFYSA-N 0 0 390.499 3.044 20 10 GGCDRN CC(=O)Nc1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275781638 1435168518 /nfs/dbraw/zinc/16/85/18/1435168518.db2.gz INFOOUGNPMEVAE-UHFFFAOYSA-N 0 0 394.475 3.389 20 10 GGCDRN C[S@@](=O)c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275796829 1435170384 /nfs/dbraw/zinc/17/03/84/1435170384.db2.gz KNZFBADOXDKIAQ-MUUNZHRXSA-N 0 0 399.516 3.168 20 10 GGCDRN C[S@](=O)c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275796835 1435170422 /nfs/dbraw/zinc/17/04/22/1435170422.db2.gz KNZFBADOXDKIAQ-NDEPHWFRSA-N 0 0 399.516 3.168 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000275796838 1435170428 /nfs/dbraw/zinc/17/04/28/1435170428.db2.gz BKICKERYMDKMKE-UHFFFAOYSA-N 0 0 397.475 3.364 20 10 GGCDRN CN(C)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 ZINC000275810847 1435171808 /nfs/dbraw/zinc/17/18/08/1435171808.db2.gz MLIOZDSPNCLSQU-UHFFFAOYSA-N 0 0 380.492 3.497 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(=O)OCC)cc1 ZINC000275840308 1435173968 /nfs/dbraw/zinc/17/39/68/1435173968.db2.gz GSUZNHSAIKRUBG-UHFFFAOYSA-N 0 0 399.447 3.338 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000275907769 1435178952 /nfs/dbraw/zinc/17/89/52/1435178952.db2.gz OCGMPQLLQOHVEX-UHFFFAOYSA-N 0 0 395.459 3.118 20 10 GGCDRN COc1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c(OC)c1 ZINC000275931422 1435180494 /nfs/dbraw/zinc/18/04/94/1435180494.db2.gz ZYHOVWLNIBEOFX-UHFFFAOYSA-N 0 0 397.475 3.448 20 10 GGCDRN CCN(c1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1)C(C)C ZINC000275946310 1435181666 /nfs/dbraw/zinc/18/16/66/1435181666.db2.gz BCNSRSHNBWXXDC-HNNXBMFYSA-N 0 0 399.491 3.018 20 10 GGCDRN CCN(c1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1)C(C)C ZINC000275946315 1435181735 /nfs/dbraw/zinc/18/17/35/1435181735.db2.gz BCNSRSHNBWXXDC-OAHLLOKOSA-N 0 0 399.491 3.018 20 10 GGCDRN CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccccc2O)C1(C)C ZINC000276006985 1435185286 /nfs/dbraw/zinc/18/52/86/1435185286.db2.gz SQPYMIMWQMJYRA-HRAATJIYSA-N 0 0 392.496 3.107 20 10 GGCDRN CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCc2ccccc2O)C1(C)C ZINC000276007009 1435185303 /nfs/dbraw/zinc/18/53/03/1435185303.db2.gz SQPYMIMWQMJYRA-KKSFZXQISA-N 0 0 392.496 3.107 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000276010384 1435185413 /nfs/dbraw/zinc/18/54/13/1435185413.db2.gz HCOSPAROCMXCQT-CQSZACIVSA-N 0 0 398.459 3.105 20 10 GGCDRN CC(C)Sc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000276010342 1435185483 /nfs/dbraw/zinc/18/54/83/1435185483.db2.gz HBPUBCQETQVQJF-CYBMUJFWSA-N 0 0 388.489 3.284 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc4cccc(C)c4o3)cc2)CC1 ZINC000276113177 1435191819 /nfs/dbraw/zinc/19/18/19/1435191819.db2.gz DRLGROMXKZCXOS-UHFFFAOYSA-N 0 0 391.471 3.340 20 10 GGCDRN CCOCCOCCN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000276150394 1435194086 /nfs/dbraw/zinc/19/40/86/1435194086.db2.gz CSXIKKNRETWKRK-UHFFFAOYSA-N 0 0 376.497 3.030 20 10 GGCDRN CCS(=O)(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000276306881 1435203755 /nfs/dbraw/zinc/20/37/55/1435203755.db2.gz MJNLKBHUGMDFME-UHFFFAOYSA-N 0 0 392.496 3.193 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3cnc4cc(F)c(F)cc4n3)cc2)CC1 ZINC000276326560 1435204880 /nfs/dbraw/zinc/20/48/80/1435204880.db2.gz PVGFLDRTAIABDI-UHFFFAOYSA-N 0 0 397.429 3.189 20 10 GGCDRN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(N)=O ZINC000276347193 1435206211 /nfs/dbraw/zinc/20/62/11/1435206211.db2.gz XMXRZBPRPOOQPW-DPQBTTMVSA-N 0 0 381.436 3.057 20 10 GGCDRN Cc1ccnc(-n2nccc2NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000276445829 1435211796 /nfs/dbraw/zinc/21/17/96/1435211796.db2.gz KZUBFYNXPUJNDP-UHFFFAOYSA-N 0 0 378.436 3.073 20 10 GGCDRN COC(=O)CCCCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000276513366 1435215166 /nfs/dbraw/zinc/21/51/66/1435215166.db2.gz RNGWPTPHXKYOBC-UHFFFAOYSA-N 0 0 384.542 3.026 20 10 GGCDRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC000276604891 1435220314 /nfs/dbraw/zinc/22/03/14/1435220314.db2.gz DCCRAUXPUZBARC-UHFFFAOYSA-N 0 0 390.480 3.351 20 10 GGCDRN COc1cccc(-c2noc([C@H](C)NCc3cc(OC)c(OC)cc3O)n2)c1 ZINC000276770496 1435231133 /nfs/dbraw/zinc/23/11/33/1435231133.db2.gz OLYVEBBZSNJZCR-LBPRGKRZSA-N 0 0 385.420 3.319 20 10 GGCDRN O=C(CCOCC(F)(F)C(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000276781054 1435232093 /nfs/dbraw/zinc/23/20/93/1435232093.db2.gz OIGQINDOWBBNHL-AWEZNQCLSA-N 0 0 393.377 3.207 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000276812289 1435234324 /nfs/dbraw/zinc/23/43/24/1435234324.db2.gz CEXAWQQFIIRZMT-ZDUSSCGKSA-N 0 0 385.464 3.379 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000276812287 1435234352 /nfs/dbraw/zinc/23/43/52/1435234352.db2.gz CEXAWQQFIIRZMT-CYBMUJFWSA-N 0 0 385.464 3.379 20 10 GGCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000276822502 1435235217 /nfs/dbraw/zinc/23/52/17/1435235217.db2.gz IHAMNRIYCNYNJW-FPOVZHCZSA-N 0 0 382.508 3.458 20 10 GGCDRN CCNC(=O)C1(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCC1 ZINC000276862215 1435238297 /nfs/dbraw/zinc/23/82/97/1435238297.db2.gz KLOXRZYVPQHWML-UHFFFAOYSA-N 0 0 386.540 3.125 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000276887359 1435240390 /nfs/dbraw/zinc/24/03/90/1435240390.db2.gz NOHRRQXEQIWXPH-HRCADAONSA-N 0 0 399.491 3.464 20 10 GGCDRN CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000276911220 1435242272 /nfs/dbraw/zinc/24/22/72/1435242272.db2.gz KVACLQGOJGLCFC-AWEZNQCLSA-N 0 0 389.446 3.190 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)Cc3cccc(C)c3Cl)cc2)CC1 ZINC000276916012 1435242659 /nfs/dbraw/zinc/24/26/59/1435242659.db2.gz RECBYYXRDPFAHK-UHFFFAOYSA-N 0 0 399.922 3.176 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000276924742 1435243446 /nfs/dbraw/zinc/24/34/46/1435243446.db2.gz UDCAJENKMUMYLN-PMPSAXMXSA-N 0 0 399.491 3.464 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000276924740 1435243577 /nfs/dbraw/zinc/24/35/77/1435243577.db2.gz UDCAJENKMUMYLN-OAGGEKHMSA-N 0 0 399.491 3.464 20 10 GGCDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276926303 1435243690 /nfs/dbraw/zinc/24/36/90/1435243690.db2.gz UJKHIBAQXPLQII-KBPBESRZSA-N 0 0 385.464 3.379 20 10 GGCDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276926308 1435243751 /nfs/dbraw/zinc/24/37/51/1435243751.db2.gz UJKHIBAQXPLQII-KGLIPLIRSA-N 0 0 385.464 3.379 20 10 GGCDRN Cc1noc(C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000276930562 1435244244 /nfs/dbraw/zinc/24/42/44/1435244244.db2.gz ABMJGXWJNKXNOZ-LJQANCHMSA-N 0 0 379.464 3.227 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNCc3cn(C(C)(C)C)nn3)cc2F)C[C@@H](C)O1 ZINC000276993028 1435250521 /nfs/dbraw/zinc/25/05/21/1435250521.db2.gz WRCVTDPPSBZDEP-HUUCEWRRSA-N 0 0 375.492 3.076 20 10 GGCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c(O)c1O ZINC000277001249 1435251027 /nfs/dbraw/zinc/25/10/27/1435251027.db2.gz UJKAQWBTDHPHGT-OAHLLOKOSA-N 0 0 387.436 3.051 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CC(F)(F)C1 ZINC000277100081 1435261947 /nfs/dbraw/zinc/26/19/47/1435261947.db2.gz WHWUZVHEKMJOAB-UHFFFAOYSA-N 0 0 393.356 3.139 20 10 GGCDRN CC[C@H](C)c1nnc([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000277113060 1435263289 /nfs/dbraw/zinc/26/32/89/1435263289.db2.gz RTBMZKXFBBUFTR-UIOUNXJESA-N 0 0 383.496 3.045 20 10 GGCDRN CC[C@H](C)c1nnc([C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000277113058 1435263291 /nfs/dbraw/zinc/26/32/91/1435263291.db2.gz RTBMZKXFBBUFTR-MOVUHUBBSA-N 0 0 383.496 3.045 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000277243731 1435284208 /nfs/dbraw/zinc/28/42/08/1435284208.db2.gz OMKKJJKCFUUDHK-UHFFFAOYSA-N 0 0 386.452 3.044 20 10 GGCDRN CC(C)(C)[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277310625 1435292463 /nfs/dbraw/zinc/29/24/63/1435292463.db2.gz SNBZZEUMRZJLAX-ZBFHGGJFSA-N 0 0 380.872 3.404 20 10 GGCDRN O=C1CN(Cc2ccc(Cl)cc2)C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000277320293 1435293741 /nfs/dbraw/zinc/29/37/41/1435293741.db2.gz LZXUXUGEQXEXFS-UHFFFAOYSA-N 0 0 399.878 3.141 20 10 GGCDRN Cc1cc(C(=O)NC2CCN(c3cccnn3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000277503483 1435308709 /nfs/dbraw/zinc/30/87/09/1435308709.db2.gz JJTFFWUEVHXMNF-UHFFFAOYSA-N 0 0 393.466 3.422 20 10 GGCDRN Cc1nc2ccccc2n1CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277548690 1435312104 /nfs/dbraw/zinc/31/21/04/1435312104.db2.gz WJWLCWUPCQHJMF-UHFFFAOYSA-N 0 0 398.850 3.168 20 10 GGCDRN COCC[C@H](c1ccc(C)o1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277612041 1435316388 /nfs/dbraw/zinc/31/63/88/1435316388.db2.gz AUQCXSZMFATOAQ-OAHLLOKOSA-N 0 0 392.839 3.489 20 10 GGCDRN COCC[C@@H](c1ccc(C)o1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277612034 1435316480 /nfs/dbraw/zinc/31/64/80/1435316480.db2.gz AUQCXSZMFATOAQ-HNNXBMFYSA-N 0 0 392.839 3.489 20 10 GGCDRN CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1F ZINC000277713856 1435323837 /nfs/dbraw/zinc/32/38/37/1435323837.db2.gz JHLOEXPNIMRIRP-QGZVFWFLSA-N 0 0 386.423 3.311 20 10 GGCDRN CC(C)(C)c1nnc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000277715898 1435324086 /nfs/dbraw/zinc/32/40/86/1435324086.db2.gz RSQCCSRIMJQDSM-UHFFFAOYSA-N 0 0 394.884 3.159 20 10 GGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000277733510 1435325353 /nfs/dbraw/zinc/32/53/53/1435325353.db2.gz TXHNEBVLKHNIMM-IBGZPJMESA-N 0 0 398.478 3.142 20 10 GGCDRN CCC1(CC)[C@H](OC)C[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277785617 1435330114 /nfs/dbraw/zinc/33/01/14/1435330114.db2.gz XVWQDYMBTQKOTC-JKSUJKDBSA-N 0 0 380.872 3.404 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(O)ccc1Cl ZINC000277796810 1435331369 /nfs/dbraw/zinc/33/13/69/1435331369.db2.gz VJEHJWRLOAQOFV-UHFFFAOYSA-N 0 0 378.831 3.076 20 10 GGCDRN CCO[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000277808171 1435332404 /nfs/dbraw/zinc/33/24/04/1435332404.db2.gz XCKBRETUDXOKTC-OAQYLSRUSA-N 0 0 383.492 3.100 20 10 GGCDRN Cc1noc(C)c1[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277825561 1435333977 /nfs/dbraw/zinc/33/39/77/1435333977.db2.gz CBNDVLKAPOUJQA-JTQLQIEISA-N 0 0 377.828 3.218 20 10 GGCDRN CCCCCCNC(=O)Cc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000277854044 1435336253 /nfs/dbraw/zinc/33/62/53/1435336253.db2.gz GWBNRHLVXWFEOZ-DHZHZOJOSA-N 0 0 398.507 3.316 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278110457 1435360278 /nfs/dbraw/zinc/36/02/78/1435360278.db2.gz BKBCEXDHQAKMRQ-MRXNPFEDSA-N 0 0 375.425 3.137 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Cc3noc(-c4sccc4C)n3)CC2)cc1 ZINC000278146414 1435364315 /nfs/dbraw/zinc/36/43/15/1435364315.db2.gz UJILAPUTNNHWNL-UHFFFAOYSA-N 0 0 398.488 3.006 20 10 GGCDRN CCN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1)CC(F)(F)F ZINC000278223534 1435371208 /nfs/dbraw/zinc/37/12/08/1435371208.db2.gz LXQRXOYOYWJSQM-GFCCVEGCSA-N 0 0 391.390 3.015 20 10 GGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000278223225 1435371239 /nfs/dbraw/zinc/37/12/39/1435371239.db2.gz XXUJBSKJUKYHKU-XCBOUCJHSA-N 0 0 396.491 3.002 20 10 GGCDRN COc1c(O)c(CN(C)CC(=O)Nc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000278316724 1435379237 /nfs/dbraw/zinc/37/92/37/1435379237.db2.gz XKGLQZGUWHQMCD-UHFFFAOYSA-N 0 0 391.449 3.101 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278329380 1435380394 /nfs/dbraw/zinc/38/03/94/1435380394.db2.gz UXRPUEJKZHHJAV-OCCSQVGLSA-N 0 0 395.456 3.187 20 10 GGCDRN COc1cc(N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC ZINC000278477281 1435393885 /nfs/dbraw/zinc/39/38/85/1435393885.db2.gz IPLPLLIHJFWAKI-UHFFFAOYSA-N 0 0 377.353 3.165 20 10 GGCDRN CCOCCOc1cc(C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278497231 1435395127 /nfs/dbraw/zinc/39/51/27/1435395127.db2.gz MUVNLUQJQPTOHH-UHFFFAOYSA-N 0 0 390.436 3.323 20 10 GGCDRN COC(=O)N(C)Cc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278558028 1435399918 /nfs/dbraw/zinc/39/99/18/1435399918.db2.gz AVMFTIOXFFKVMW-UHFFFAOYSA-N 0 0 375.381 3.119 20 10 GGCDRN CCCS(=O)(=O)Nc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278573652 1435401466 /nfs/dbraw/zinc/40/14/66/1435401466.db2.gz DEIYMFWRIHBKAX-UHFFFAOYSA-N 0 0 395.437 3.073 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000278617581 1435406418 /nfs/dbraw/zinc/40/64/18/1435406418.db2.gz HBGYCDRDSQFMRJ-IBGZPJMESA-N 0 0 398.555 3.075 20 10 GGCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3nc(C4CCC4)cs3)ccc21 ZINC000278741973 1435419174 /nfs/dbraw/zinc/41/91/74/1435419174.db2.gz ACLXUSXFDGCUMS-UHFFFAOYSA-N 0 0 384.505 3.048 20 10 GGCDRN COc1c(O)c(CNc2cccc([C@@H](C)N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000278837950 1435429402 /nfs/dbraw/zinc/42/94/02/1435429402.db2.gz JLNAJYIYIQNSPZ-CQSZACIVSA-N 0 0 387.436 3.314 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000278852087 1435431110 /nfs/dbraw/zinc/43/11/10/1435431110.db2.gz LWRQBJLEZBZEBO-UHFFFAOYSA-N 0 0 381.524 3.375 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@H](c2cccs2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278893949 1435436601 /nfs/dbraw/zinc/43/66/01/1435436601.db2.gz QDQVOUXWJDGSPI-OAHLLOKOSA-N 0 0 377.466 3.297 20 10 GGCDRN COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278916000 1435439358 /nfs/dbraw/zinc/43/93/58/1435439358.db2.gz UAARTIVZZKNLOU-GFCCVEGCSA-N 0 0 376.409 3.485 20 10 GGCDRN CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278926275 1435440784 /nfs/dbraw/zinc/44/07/84/1435440784.db2.gz VLMWCJMWVKYQEP-CYBMUJFWSA-N 0 0 387.436 3.127 20 10 GGCDRN COc1c(O)c(CNc2ccc(CN(C(C)=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000278935099 1435441739 /nfs/dbraw/zinc/44/17/39/1435441739.db2.gz WUZIXGVXZXGZBP-UHFFFAOYSA-N 0 0 385.420 3.432 20 10 GGCDRN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 ZINC000278959741 1435445744 /nfs/dbraw/zinc/44/57/44/1435445744.db2.gz NRLXIDZHNXVIIT-ZBFHGGJFSA-N 0 0 388.489 3.090 20 10 GGCDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 ZINC000278959735 1435445768 /nfs/dbraw/zinc/44/57/68/1435445768.db2.gz NRLXIDZHNXVIIT-GOEBONIOSA-N 0 0 388.489 3.090 20 10 GGCDRN CCCc1csc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000279100560 1435460240 /nfs/dbraw/zinc/46/02/40/1435460240.db2.gz QUCCOLZDWFJNJT-UHFFFAOYSA-N 0 0 386.521 3.291 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(CO)c(F)c2)cc1 ZINC000279185816 1435468701 /nfs/dbraw/zinc/46/87/01/1435468701.db2.gz IVLNATXTWFCEGR-HXUWFJFHSA-N 0 0 386.467 3.205 20 10 GGCDRN CCN(CC1CCN(C(=O)c2cccc(O)c2O)CC1)C(=O)OC(C)(C)C ZINC000279273177 1435480247 /nfs/dbraw/zinc/48/02/47/1435480247.db2.gz KPKAOVURPPKJDA-UHFFFAOYSA-N 0 0 378.469 3.207 20 10 GGCDRN CCc1csc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000279285758 1435481966 /nfs/dbraw/zinc/48/19/66/1435481966.db2.gz XJCDHRRHJBGFNJ-KBPBESRZSA-N 0 0 391.512 3.317 20 10 GGCDRN CCc1csc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000279285762 1435482040 /nfs/dbraw/zinc/48/20/40/1435482040.db2.gz XJCDHRRHJBGFNJ-OKILXGFUSA-N 0 0 391.512 3.317 20 10 GGCDRN COc1c([O-])c(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000279432007 1435498622 /nfs/dbraw/zinc/49/86/22/1435498622.db2.gz OGQXSYYESKTXRG-UHFFFAOYSA-N 0 0 386.452 3.221 20 10 GGCDRN C[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000279433681 1435498928 /nfs/dbraw/zinc/49/89/28/1435498928.db2.gz GVETVEFTLWZORS-MRXNPFEDSA-N 0 0 381.455 3.094 20 10 GGCDRN O=C(c1ccc(O[C@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279489913 1435505018 /nfs/dbraw/zinc/50/50/18/1435505018.db2.gz OZSBWNDLFOWMDA-RTWAWAEBSA-N 0 0 397.471 3.381 20 10 GGCDRN COC[C@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000279566149 1435513762 /nfs/dbraw/zinc/51/37/62/1435513762.db2.gz VPFNNRDZTCGAOP-QWVLCHBDSA-N 0 0 396.447 3.351 20 10 GGCDRN CS(=O)(=O)C1(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCC1 ZINC000279617109 1435519640 /nfs/dbraw/zinc/51/96/40/1435519640.db2.gz AJGVBWNARHUUPC-UHFFFAOYSA-N 0 0 394.537 3.204 20 10 GGCDRN CC(=O)N1CCC[C@@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000279853451 1435552263 /nfs/dbraw/zinc/55/22/63/1435552263.db2.gz RZSFREYCZYHPBS-SFHVURJKSA-N 0 0 387.524 3.495 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@@H](C)O[C@]4(CCOC4)C3)cc2)CC1 ZINC000280009118 1435575938 /nfs/dbraw/zinc/57/59/38/1435575938.db2.gz SHJXPKPUKYJQFL-XMSQKQJNSA-N 0 0 387.524 3.012 20 10 GGCDRN CCCN(C(=O)c1cccc(O)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000280030461 1435579735 /nfs/dbraw/zinc/57/97/35/1435579735.db2.gz YBPFBUHBUVHKRC-UHFFFAOYSA-N 0 0 378.469 3.350 20 10 GGCDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000280306590 1435631032 /nfs/dbraw/zinc/63/10/32/1435631032.db2.gz XKRGNBDZDAKCBE-HNNXBMFYSA-N 0 0 384.480 3.220 20 10 GGCDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000280445157 1435662234 /nfs/dbraw/zinc/66/22/34/1435662234.db2.gz DJMYUARMYPQGAR-ZDUSSCGKSA-N 0 0 383.448 3.051 20 10 GGCDRN Cc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cccc1NC(=O)N(C)C ZINC000280456965 1435663858 /nfs/dbraw/zinc/66/38/58/1435663858.db2.gz AAGAUVSZANCFRY-GFCCVEGCSA-N 0 0 386.452 3.252 20 10 GGCDRN COc1cc(Cl)cc(CNc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC000280587645 1435684223 /nfs/dbraw/zinc/68/42/23/1435684223.db2.gz AUNKSHFTNFTNNG-UHFFFAOYSA-N 0 0 376.840 3.139 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000280626600 1435692220 /nfs/dbraw/zinc/69/22/20/1435692220.db2.gz UACZGYVZHZNZER-SNVBAGLBSA-N 0 0 378.812 3.275 20 10 GGCDRN Cc1ccc(N2CCOCC2)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000280653940 1435698263 /nfs/dbraw/zinc/69/82/63/1435698263.db2.gz CNNHHJXTAGDPOC-UHFFFAOYSA-N 0 0 396.491 3.329 20 10 GGCDRN CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280682878 1435703132 /nfs/dbraw/zinc/70/31/32/1435703132.db2.gz YXCQYBVEDRTBAJ-ZDUSSCGKSA-N 0 0 387.436 3.443 20 10 GGCDRN CC1=C(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)SCCO1 ZINC000280793718 1435721662 /nfs/dbraw/zinc/72/16/62/1435721662.db2.gz ORHQIUHNOHPDNF-CHWSQXEVSA-N 0 0 380.485 3.050 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3c(F)ccc(O)c3F)cc2F)C[C@H](C)O1 ZINC000280822513 1435726053 /nfs/dbraw/zinc/72/60/53/1435726053.db2.gz RUWTZBHEXAGKNL-TXEJJXNPSA-N 0 0 394.393 3.353 20 10 GGCDRN CC(C)n1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000280823408 1435726641 /nfs/dbraw/zinc/72/66/41/1435726641.db2.gz UZYOWTJLRKYLQP-UHFFFAOYSA-N 0 0 383.496 3.051 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC1CCN(c2nccs2)CC1 ZINC000280900352 1435738739 /nfs/dbraw/zinc/73/87/39/1435738739.db2.gz DSMHZQVONULUBH-UHFFFAOYSA-N 0 0 385.537 3.212 20 10 GGCDRN CCNC(=O)Nc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000280988078 1435751910 /nfs/dbraw/zinc/75/19/10/1435751910.db2.gz KDCMDXHXQJFWDK-GFCCVEGCSA-N 0 0 386.452 3.300 20 10 GGCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1C(=O)NC(C)C ZINC000281056521 1435765111 /nfs/dbraw/zinc/76/51/11/1435765111.db2.gz BHRGIMBJDDDIIA-CQSZACIVSA-N 0 0 385.464 3.297 20 10 GGCDRN CN(CCCOCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000281254264 1435800937 /nfs/dbraw/zinc/80/09/37/1435800937.db2.gz QKSJLFUQAVIRHP-UHFFFAOYSA-N 0 0 397.519 3.272 20 10 GGCDRN Cc1c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cccc1N1CCOC1=O ZINC000281329953 1435804179 /nfs/dbraw/zinc/80/41/79/1435804179.db2.gz JOJNILFJWFOUBK-GFCCVEGCSA-N 0 0 385.420 3.116 20 10 GGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1N1CCOC1=O ZINC000281572955 1435814013 /nfs/dbraw/zinc/81/40/13/1435814013.db2.gz ZBKBZBFCCQJVLN-CYBMUJFWSA-N 0 0 385.420 3.116 20 10 GGCDRN CCn1ncc2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c(C)nc21 ZINC000281881722 1435825311 /nfs/dbraw/zinc/82/53/11/1435825311.db2.gz GHIHYMSOYJCLPL-SFHVURJKSA-N 0 0 394.475 3.287 20 10 GGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ncnn3C(C)(C)C)ccc21 ZINC000281942836 1435827829 /nfs/dbraw/zinc/82/78/29/1435827829.db2.gz IBUUYMGTYWAQNO-UHFFFAOYSA-N 0 0 383.496 3.181 20 10 GGCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[C@H](C)C1 ZINC000282039887 1435832113 /nfs/dbraw/zinc/83/21/13/1435832113.db2.gz ZUMGMMVXCSNOFA-MUQADHOPSA-N 0 0 393.503 3.148 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccncc1C(F)(F)F ZINC000282094194 1435834366 /nfs/dbraw/zinc/83/43/66/1435834366.db2.gz GUYRLDSRANIXNS-UHFFFAOYSA-N 0 0 393.409 3.239 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3)cc2Cl)C1 ZINC000282151037 1435836562 /nfs/dbraw/zinc/83/65/62/1435836562.db2.gz OAGZWMNDUYFXKG-AWEZNQCLSA-N 0 0 386.883 3.226 20 10 GGCDRN Cc1conc1NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282177207 1435837478 /nfs/dbraw/zinc/83/74/78/1435837478.db2.gz QEBRXRDZYRTFHK-LBPRGKRZSA-N 0 0 390.871 3.128 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000282357665 1435844293 /nfs/dbraw/zinc/84/42/93/1435844293.db2.gz BAXQYWOFDANRME-UHFFFAOYSA-N 0 0 386.448 3.177 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000282388450 1435845408 /nfs/dbraw/zinc/84/54/08/1435845408.db2.gz DIQUNWNAAPCPOT-HXUWFJFHSA-N 0 0 395.503 3.468 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000282404527 1435846040 /nfs/dbraw/zinc/84/60/40/1435846040.db2.gz FLIOYLFBEVKUGF-JLHYYAGUSA-N 0 0 382.460 3.098 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000282507575 1435849569 /nfs/dbraw/zinc/84/95/69/1435849569.db2.gz PDBRJYLTEZIMAE-UHFFFAOYSA-N 0 0 395.456 3.013 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccccc1OCCC(N)=O ZINC000282543738 1435850900 /nfs/dbraw/zinc/85/09/00/1435850900.db2.gz SUSWIXWZSJSSJH-UHFFFAOYSA-N 0 0 385.464 3.481 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC000282554852 1435851335 /nfs/dbraw/zinc/85/13/35/1435851335.db2.gz SVODSCFOCVUPQA-UHFFFAOYSA-N 0 0 395.459 3.027 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000282900927 1435865301 /nfs/dbraw/zinc/86/53/01/1435865301.db2.gz RFPFOKSETLKJAG-HXUWFJFHSA-N 0 0 387.524 3.014 20 10 GGCDRN C[C@H](O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1 ZINC000282901230 1435865322 /nfs/dbraw/zinc/86/53/22/1435865322.db2.gz CSYKATHEJLYHQR-YOEHRIQHSA-N 0 0 389.521 3.084 20 10 GGCDRN Nc1c(F)cc(Cl)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282931695 1435866608 /nfs/dbraw/zinc/86/66/08/1435866608.db2.gz CWHTZBUBECQANJ-UHFFFAOYSA-N 0 0 391.874 3.200 20 10 GGCDRN O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000283016192 1435870444 /nfs/dbraw/zinc/87/04/44/1435870444.db2.gz PCUALTYXWYUPAH-HNNXBMFYSA-N 0 0 390.827 3.350 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000283031282 1435871164 /nfs/dbraw/zinc/87/11/64/1435871164.db2.gz QHIQUZBIOGPTJX-UHFFFAOYSA-N 0 0 377.466 3.025 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000283069374 1435872990 /nfs/dbraw/zinc/87/29/90/1435872990.db2.gz CZHUOBWUBNTVKD-LJQANCHMSA-N 0 0 395.507 3.200 20 10 GGCDRN Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283083491 1435873603 /nfs/dbraw/zinc/87/36/03/1435873603.db2.gz FKNOOJZVRMELNU-UHFFFAOYSA-N 0 0 394.450 3.086 20 10 GGCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1cccnc1 ZINC000283178701 1435878019 /nfs/dbraw/zinc/87/80/19/1435878019.db2.gz REROTTQAJUEGGK-QGZVFWFLSA-N 0 0 394.519 3.344 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccc(F)cc1F ZINC000283337286 1435884909 /nfs/dbraw/zinc/88/49/09/1435884909.db2.gz GQSWMULFMHLCTL-CYBMUJFWSA-N 0 0 376.403 3.286 20 10 GGCDRN C[C@@H](Sc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2)C(N)=O ZINC000283336602 1435884950 /nfs/dbraw/zinc/88/49/50/1435884950.db2.gz XAFQCNUVPCEPJS-CYBMUJFWSA-N 0 0 384.501 3.167 20 10 GGCDRN Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)nnn1Cc1ccccc1F ZINC000283348822 1435885506 /nfs/dbraw/zinc/88/55/06/1435885506.db2.gz CGMBORMBKUGVAB-UHFFFAOYSA-N 0 0 382.443 3.162 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2nc3ccccc3s2)cc1 ZINC000283437038 1435889821 /nfs/dbraw/zinc/88/98/21/1435889821.db2.gz LXCZRNRXWZJAKW-UHFFFAOYSA-N 0 0 396.516 3.075 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000283560727 1435895559 /nfs/dbraw/zinc/89/55/59/1435895559.db2.gz PTRIIPIHYOQVRT-QGZVFWFLSA-N 0 0 381.467 3.490 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CCOC ZINC000283576897 1435896318 /nfs/dbraw/zinc/89/63/18/1435896318.db2.gz JXQQFGYKZQLNQD-UHFFFAOYSA-N 0 0 384.476 3.349 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000283702473 1435907090 /nfs/dbraw/zinc/90/70/90/1435907090.db2.gz VLFWJEGCNBFPDM-UHFFFAOYSA-N 0 0 399.447 3.338 20 10 GGCDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000283743702 1435914276 /nfs/dbraw/zinc/91/42/76/1435914276.db2.gz BCAWDOUGRXLKLO-HNNXBMFYSA-N 0 0 389.521 3.107 20 10 GGCDRN CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000283755745 1435917034 /nfs/dbraw/zinc/91/70/34/1435917034.db2.gz PGTALBGFSPCRDM-OAQYLSRUSA-N 0 0 377.488 3.193 20 10 GGCDRN C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283838645 1435934189 /nfs/dbraw/zinc/93/41/89/1435934189.db2.gz CWKNKVHSDQTZNA-INIZCTEOSA-N 0 0 383.467 3.262 20 10 GGCDRN C[C@@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccn1 ZINC000283846340 1435935850 /nfs/dbraw/zinc/93/58/50/1435935850.db2.gz BJQGHDMIIWSESV-MRXNPFEDSA-N 0 0 381.476 3.326 20 10 GGCDRN COc1ccc([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000283848989 1435936659 /nfs/dbraw/zinc/93/66/59/1435936659.db2.gz DGMWSTNDAYQJCW-KRWDZBQOSA-N 0 0 395.503 3.131 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284046103 1435980868 /nfs/dbraw/zinc/98/08/68/1435980868.db2.gz PFKXUDWRHNXEKG-GOSISDBHSA-N 0 0 382.435 3.039 20 10 GGCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1F ZINC000284086559 1435988298 /nfs/dbraw/zinc/98/82/98/1435988298.db2.gz SHLXSTKDYSICLI-CQSZACIVSA-N 0 0 387.430 3.059 20 10 GGCDRN COc1cccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000284126994 1435995824 /nfs/dbraw/zinc/99/58/24/1435995824.db2.gz NSMKVZIMMQMAEO-INIZCTEOSA-N 0 0 395.503 3.130 20 10 GGCDRN O=C(NCc1ccccc1O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000284221294 1436005142 /nfs/dbraw/zinc/00/51/42/1436005142.db2.gz AXPXZOVYPSECKR-UHFFFAOYSA-N 0 0 379.819 3.343 20 10 GGCDRN CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000284258012 1436007641 /nfs/dbraw/zinc/00/76/41/1436007641.db2.gz RRCMQWLFRFQVIH-OAQYLSRUSA-N 0 0 377.488 3.049 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284342268 1436014789 /nfs/dbraw/zinc/01/47/89/1436014789.db2.gz XYRAVHJNMIUSPT-UHFFFAOYSA-N 0 0 395.503 3.047 20 10 GGCDRN C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000284353962 1436015500 /nfs/dbraw/zinc/01/55/00/1436015500.db2.gz MOZCEVCEJFTDRU-AWEZNQCLSA-N 0 0 381.476 3.001 20 10 GGCDRN Oc1ccccc1C[N@@H+](C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000823733338 1441675427 /nfs/dbraw/zinc/67/54/27/1441675427.db2.gz UNZFXKDESNAQRN-FQEVSTJZSA-N 0 0 379.464 3.051 20 10 GGCDRN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000826209039 1442074073 /nfs/dbraw/zinc/07/40/73/1442074073.db2.gz KDMLTIOASIJCDW-AWEZNQCLSA-N 0 0 396.470 3.334 20 10 GGCDRN Oc1cccc(Cl)c1C[NH2+]CCSCc1ccccc1-c1nnn[n-]1 ZINC000738400813 1442418239 /nfs/dbraw/zinc/41/82/39/1442418239.db2.gz KUQNWZRRRBWWFG-UHFFFAOYSA-N 0 0 375.885 3.249 20 10 GGCDRN Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000823733339 1443918463 /nfs/dbraw/zinc/91/84/63/1443918463.db2.gz UNZFXKDESNAQRN-HXUWFJFHSA-N 0 0 379.464 3.051 20 10 GGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820411208 1446331503 /nfs/dbraw/zinc/33/15/03/1446331503.db2.gz HGDUAUDOUUVFOQ-GJZGRUSLSA-N 0 0 396.470 3.254 20 10 GGCDRN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000826168035 1449071667 /nfs/dbraw/zinc/07/16/67/1449071667.db2.gz ZYNUEMMYUHUROI-UHFFFAOYSA-N 0 0 392.507 3.498 20 10 GGCDRN C[N@H+](CCOc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000821603900 1449201480 /nfs/dbraw/zinc/20/14/80/1449201480.db2.gz UFTGJFBUHILJJY-UHFFFAOYSA-N 0 0 392.507 3.368 20 10 GGCDRN Cc1cc(Br)c(O)c(CNc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826256699 947741709 /nfs/dbraw/zinc/74/17/09/947741709.db2.gz WQXBBTSQTZYEME-UHFFFAOYSA-N 0 0 378.205 3.394 20 10 GGCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826510681 948432547 /nfs/dbraw/zinc/43/25/47/948432547.db2.gz FGALZTTYNXOLFY-UHFFFAOYSA-N 0 0 393.875 3.388 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1c(Br)cccc1-c1nn[nH]n1 ZINC001575187505 952441764 /nfs/dbraw/zinc/44/17/64/952441764.db2.gz CLSGNSQTPPIYSD-SECBINFHSA-N 0 0 390.241 3.084 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cc(C(=O)[O-])nn3C)cc2Cl)C1 ZINC001589332330 953951063 /nfs/dbraw/zinc/95/10/63/953951063.db2.gz HWYQQXQFESPYMR-CYBMUJFWSA-N 0 0 376.888 3.298 20 10 GGCDRN COc1ccc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cn1cccn1 ZINC000905013976 956957431 /nfs/dbraw/zinc/95/74/31/956957431.db2.gz XTYNJCWPNMRQIL-VQTJNVASSA-N 0 0 377.444 3.343 20 10 GGCDRN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001588674329 960528866 /nfs/dbraw/zinc/52/88/66/960528866.db2.gz BEAZXYZJNHPLPH-CQSZACIVSA-N 0 0 396.459 3.065 20 10 GGCDRN O=C([O-])[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892873 972696920 /nfs/dbraw/zinc/69/69/20/972696920.db2.gz JQEGIZQGNKZUEH-FUHWJXTLSA-N 0 0 394.899 3.017 20 10 GGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000756346086 978698673 /nfs/dbraw/zinc/69/86/73/978698673.db2.gz AUYIEPNLKGPIGZ-SFHVURJKSA-N 0 0 394.393 3.458 20 10 GGCDRN O=C([O-])/C=C\c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796548097 978833365 /nfs/dbraw/zinc/83/33/65/978833365.db2.gz AGPLOZLIUWCAPY-NTMALXAHSA-N 0 0 381.432 3.405 20 10 GGCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000853035987 979594716 /nfs/dbraw/zinc/59/47/16/979594716.db2.gz APGGHXZFGLIVJV-SFHVURJKSA-N 0 0 394.393 3.458 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000864160192 979775668 /nfs/dbraw/zinc/77/56/68/979775668.db2.gz SXBKYYADUMNYLO-SFHVURJKSA-N 0 0 383.492 3.024 20 10 GGCDRN COc1ccc(C[NH2+][C@H](CC(=O)[O-])Cc2ccccc2)cc1Cn1cccn1 ZINC000871878565 979980114 /nfs/dbraw/zinc/98/01/14/979980114.db2.gz OKXGGXYRTPPEDD-FQEVSTJZSA-N 0 0 379.460 3.116 20 10 GGCDRN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])Cc2ccccc2)cc1Cn1cccn1 ZINC000871878566 979980297 /nfs/dbraw/zinc/98/02/97/979980297.db2.gz OKXGGXYRTPPEDD-HXUWFJFHSA-N 0 0 379.460 3.116 20 10 GGCDRN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000901541766 980369492 /nfs/dbraw/zinc/36/94/92/980369492.db2.gz KGAFKBCKURHHFM-GOSISDBHSA-N 0 0 397.313 3.115 20 10 GGCDRN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000901541769 980369974 /nfs/dbraw/zinc/36/99/74/980369974.db2.gz KGAFKBCKURHHFM-SFHVURJKSA-N 0 0 397.313 3.115 20 10 GGCDRN CC[C@@]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)(C(=O)[O-])c1ccccc1 ZINC001595299989 980432755 /nfs/dbraw/zinc/43/27/55/980432755.db2.gz LPHFZVMDAHAEKR-QFIPXVFZSA-N 0 0 379.460 3.420 20 10 GGCDRN O=C([O-])CC1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCOCC1 ZINC000901666447 980433747 /nfs/dbraw/zinc/43/37/47/980433747.db2.gz AQKGGNABNZRAHF-UHFFFAOYSA-N 0 0 380.488 3.363 20 10 GGCDRN COc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1Cl ZINC000901849259 980574422 /nfs/dbraw/zinc/57/44/22/980574422.db2.gz QGDLIQPSMPAJMS-LJQANCHMSA-N 0 0 390.867 3.101 20 10 GGCDRN CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000902014960 980692055 /nfs/dbraw/zinc/69/20/55/980692055.db2.gz AWGJBIMMEUAEEH-UHFFFAOYSA-N 0 0 397.519 3.317 20 10 GGCDRN CN(C)c1ccc([C@H](C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC000905809524 981161632 /nfs/dbraw/zinc/16/16/32/981161632.db2.gz BTHDFDWMFJTNJB-IBGZPJMESA-N 0 0 375.900 3.497 20 10 GGCDRN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000910344021 981882022 /nfs/dbraw/zinc/88/20/22/981882022.db2.gz NLWIZQXOHGIBJZ-LNENJAERSA-N 0 0 381.432 3.403 20 10 GGCDRN COc1cccc(CN(CC[NH+](C)C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000910372515 981902397 /nfs/dbraw/zinc/90/23/97/981902397.db2.gz CLZLWESCPHKXCZ-CSKARUKUSA-N 0 0 399.447 3.269 20 10 GGCDRN CCCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747258 982413484 /nfs/dbraw/zinc/41/34/84/982413484.db2.gz DLBHARDRBLCEOZ-MRXNPFEDSA-N 0 0 384.476 3.397 20 10 GGCDRN CCCC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC001595749252 982421710 /nfs/dbraw/zinc/42/17/10/982421710.db2.gz UPWZPPBEPOMLBY-HNNXBMFYSA-N 0 0 391.489 3.033 20 10 GGCDRN CCOC(=O)c1[nH]c(C)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1C ZINC001596691015 984802620 /nfs/dbraw/zinc/80/26/20/984802620.db2.gz CYSMFYKZNYQOOD-UHFFFAOYSA-N 0 0 394.855 3.254 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cc(C(=O)[O-])ccc1O ZINC001594542166 986179093 /nfs/dbraw/zinc/17/90/93/986179093.db2.gz FEIACNDFYXCONR-CVEARBPZSA-N 0 0 384.476 3.162 20 10 GGCDRN C[C@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001594578292 986431556 /nfs/dbraw/zinc/43/15/56/986431556.db2.gz YPTUNMZXNBWBPT-DMXPTSQMSA-N 0 0 378.488 3.418 20 10 GGCDRN CC(C)(C)CC(=O)N1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC001589737755 987997164 /nfs/dbraw/zinc/99/71/64/987997164.db2.gz SYADZUOBQYNFSK-UHFFFAOYSA-N 0 0 384.476 3.324 20 10 GGCDRN C[NH+](C)[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)c1ccccc1 ZINC001598166652 990684796 /nfs/dbraw/zinc/68/47/96/990684796.db2.gz XHLSIPNKJJBOHP-QGZVFWFLSA-N 0 0 390.867 3.152 20 10 GGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314417 991296908 /nfs/dbraw/zinc/29/69/08/991296908.db2.gz RQPYKKKUHIZVCO-YADGQWAMSA-N 0 0 379.460 3.007 20 10 GGCDRN COc1ccc(N2CC[C@@H]([NH2+]Cc3c4cc(F)ccc4n(C)c3C(=O)[O-])C2)cc1 ZINC001599586431 993619795 /nfs/dbraw/zinc/61/97/95/993619795.db2.gz PGZZMZDTRNTUSA-OAHLLOKOSA-N 0 0 397.450 3.393 20 10 GGCDRN COc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])c4cccnc34)CC2)cc1F ZINC001599586654 993622848 /nfs/dbraw/zinc/62/28/48/993622848.db2.gz VBXLPLDGYCQJJT-UHFFFAOYSA-N 0 0 395.434 3.403 20 10 GGCDRN C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593265794 994576443 /nfs/dbraw/zinc/57/64/43/994576443.db2.gz XJZHZPJWIDFYMP-UONOGXRCSA-N 0 0 378.469 3.388 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cc(C(=O)[O-])ccc1O ZINC001593285364 994635484 /nfs/dbraw/zinc/63/54/84/994635484.db2.gz CTGWGHRKXZYAFH-QLJPJBMISA-N 0 0 380.238 3.237 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593305158 994760496 /nfs/dbraw/zinc/76/04/96/994760496.db2.gz XKCDGIXJISVBST-YJYMSZOUSA-N 0 0 384.432 3.059 20 10 GGCDRN C[C@H](Oc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593645190 995972008 /nfs/dbraw/zinc/97/20/08/995972008.db2.gz QDRHNOLWWJBUFB-LPHOPBHVSA-N 0 0 385.460 3.425 20 10 GGCDRN C[C@H](Oc1ccccc1C[NH2+]Cc1ccc(N2CCSCC2)cc1)C(=O)[O-] ZINC001593647786 995992700 /nfs/dbraw/zinc/99/27/00/995992700.db2.gz AUMQHWOQVLCFPA-INIZCTEOSA-N 0 0 386.517 3.382 20 10 GGCDRN COc1cc(C)c(C[N@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(O)c1 ZINC001599391369 997043001 /nfs/dbraw/zinc/04/30/01/997043001.db2.gz TWELYKYBCQYWRD-DLBZAZTESA-N 0 0 377.387 3.288 20 10 GGCDRN COc1cc(C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407503 997350515 /nfs/dbraw/zinc/35/05/15/997350515.db2.gz MMIRMPMGBLRKOH-JOCHJYFZSA-N 0 0 391.508 3.280 20 10 GGCDRN COc1ccc([C@@H]([NH2+]Cc2cc(Br)ccc2O)C(=O)[O-])c(OC)c1 ZINC001599527820 997593668 /nfs/dbraw/zinc/59/36/68/997593668.db2.gz RELLNTRWTTYXSG-MRXNPFEDSA-N 0 0 396.237 3.087 20 10 GGCDRN COc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)c1O ZINC001599346562 998016425 /nfs/dbraw/zinc/01/64/25/998016425.db2.gz ISJPIQURIDDPDY-CQSZACIVSA-N 0 0 384.201 3.218 20 10 GGCDRN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c(O)c1OC ZINC001599571544 998373677 /nfs/dbraw/zinc/37/36/77/998373677.db2.gz DZWIRODNJFUKBI-CQSZACIVSA-N 0 0 396.237 3.087 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000277257812 1126078311 /nfs/dbraw/zinc/07/83/11/1126078311.db2.gz KKBHPLKMAOPJQZ-HXUWFJFHSA-N 0 0 398.503 3.480 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000277257798 1126078328 /nfs/dbraw/zinc/07/83/28/1126078328.db2.gz KKBHPLKMAOPJQZ-FQEVSTJZSA-N 0 0 398.503 3.480 20 10 GGCDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277267288 1126078571 /nfs/dbraw/zinc/07/85/71/1126078571.db2.gz LECRLSHKYOSXHU-FQEVSTJZSA-N 0 0 383.448 3.371 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277275909 1126078632 /nfs/dbraw/zinc/07/86/32/1126078632.db2.gz LRLVMFKDZRHWPE-LJQANCHMSA-N 0 0 382.460 3.191 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1F ZINC000277416105 1126079028 /nfs/dbraw/zinc/07/90/28/1126079028.db2.gz SRDXKLCSGHKQFO-KRWDZBQOSA-N 0 0 388.439 3.186 20 10 GGCDRN Cc1cc(C)cc(C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])c1 ZINC000756358718 1126107536 /nfs/dbraw/zinc/10/75/36/1126107536.db2.gz CKFNONNVSNSXME-FQEVSTJZSA-N 0 0 386.467 3.065 20 10 GGCDRN COc1cc(C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])cc(OC)c1 ZINC000756362164 1126107706 /nfs/dbraw/zinc/10/77/06/1126107706.db2.gz JXROEWFGEDOXJG-QFIPXVFZSA-N 0 0 398.503 3.480 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841809208 1126111932 /nfs/dbraw/zinc/11/19/32/1126111932.db2.gz VDFUYUQXRNQYHP-MRXNPFEDSA-N 0 0 376.250 3.170 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841815974 1126112006 /nfs/dbraw/zinc/11/20/06/1126112006.db2.gz IOPZZKVHJCQVID-MRXNPFEDSA-N 0 0 376.250 3.170 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2ncccn2)C(=O)[O-])cc1 ZINC000844293868 1126112349 /nfs/dbraw/zinc/11/23/49/1126112349.db2.gz RITAMAINHYGOEX-NRFANRHFSA-N 0 0 390.487 3.289 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000756385396 1126108405 /nfs/dbraw/zinc/10/84/05/1126108405.db2.gz DJZGHLGPUNQCJI-JOCHJYFZSA-N 0 0 392.503 3.461 20 10 GGCDRN CCCOc1ccc(C[NH2+][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1C ZINC000871878671 1126117300 /nfs/dbraw/zinc/11/73/00/1126117300.db2.gz RIINHSKZCWPOFR-AWEZNQCLSA-N 0 0 385.386 3.242 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000904051124 1126132237 /nfs/dbraw/zinc/13/22/37/1126132237.db2.gz RXSGBDGYYKFNES-NRFANRHFSA-N 0 0 378.476 3.222 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CN3CCCSc4ccccc43)CC2)cc1 ZINC000007274053 206707618 /nfs/dbraw/zinc/70/76/18/206707618.db2.gz ZTXSCORUUHWDNE-UHFFFAOYSA-N 0 0 397.544 3.346 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)Cn2c(=S)[nH]nc2-c2cccs2)cc1 ZINC000012565024 206914765 /nfs/dbraw/zinc/91/47/65/206914765.db2.gz VNHXXEAOEGCMTC-UHFFFAOYSA-N 0 0 387.534 3.394 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000012555643 206912956 /nfs/dbraw/zinc/91/29/56/206912956.db2.gz PJZUGOOUKBWBJU-UHFFFAOYSA-N 0 0 398.887 3.136 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000027157675 207322774 /nfs/dbraw/zinc/32/27/74/207322774.db2.gz IJTMIGWYTMVRMV-NRFANRHFSA-N 0 0 378.472 3.417 20 10 GGCDRN CS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 ZINC000029625079 207364433 /nfs/dbraw/zinc/36/44/33/207364433.db2.gz XIDIVXNYMNZIGM-UHFFFAOYSA-N 0 0 375.450 3.211 20 10 GGCDRN Cc1nn(C)c(C)c1NC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000029923582 207367167 /nfs/dbraw/zinc/36/71/67/207367167.db2.gz CFSGBBHERDSECG-UHFFFAOYSA-N 0 0 382.386 3.327 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2F)C[C@H](C)O1 ZINC000048356583 132433092 /nfs/dbraw/zinc/43/30/92/132433092.db2.gz ZVQDKPIUTXRFJH-OKILXGFUSA-N 0 0 382.439 3.246 20 10 GGCDRN Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000056934445 132448032 /nfs/dbraw/zinc/44/80/32/132448032.db2.gz HCMDKFSNUXNVCI-UHFFFAOYSA-N 0 0 379.576 3.152 20 10 GGCDRN O=C(CCC(=O)c1cccs1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000058107881 136154398 /nfs/dbraw/zinc/15/43/98/136154398.db2.gz NFZGJPNBBGFBIQ-UHFFFAOYSA-N 0 0 386.517 3.236 20 10 GGCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(-c4ccccc4)no3)cc2)C1 ZINC000058393409 136155427 /nfs/dbraw/zinc/15/54/27/136155427.db2.gz MMKVWTPVLGVPHL-QGZVFWFLSA-N 0 0 377.448 3.050 20 10 GGCDRN C[C@@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccc(N2CCOCC2)cc1 ZINC000068529877 136165126 /nfs/dbraw/zinc/16/51/26/136165126.db2.gz PSVGKASMAMISKC-CQSZACIVSA-N 0 0 384.867 3.315 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000057851798 534016306 /nfs/dbraw/zinc/01/63/06/534016306.db2.gz VWBKAZFEJTWZNN-MRXNPFEDSA-N 0 0 381.476 3.047 20 10 GGCDRN CCOc1ccc(N2CCN(C(=O)c3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000089991130 535734705 /nfs/dbraw/zinc/73/47/05/535734705.db2.gz ZBOGTSFQMKXSTC-UHFFFAOYSA-N 0 0 394.450 3.373 20 10 GGCDRN CN1CCCc2cc(CNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)ccc21 ZINC000058218209 536397105 /nfs/dbraw/zinc/39/71/05/536397105.db2.gz BEECRWYRSXUMJU-NRFANRHFSA-N 0 0 393.487 3.117 20 10 GGCDRN O=C(c1ccc(Br)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117975179 564234890 /nfs/dbraw/zinc/23/48/90/564234890.db2.gz FNIWJOIJLJAKOC-HNNXBMFYSA-N 0 0 391.265 3.371 20 10 GGCDRN O=C(c1cccnc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120263929 564313005 /nfs/dbraw/zinc/31/30/05/564313005.db2.gz MJNDIXVLLDYWPO-AWEZNQCLSA-N 0 0 391.265 3.371 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC000028331004 564361612 /nfs/dbraw/zinc/36/16/12/564361612.db2.gz QFYUEYUNXCAXKY-UHFFFAOYSA-N 0 0 380.897 3.082 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ncc1Cl ZINC000121697864 564382846 /nfs/dbraw/zinc/38/28/46/564382846.db2.gz ADOPWULXURDSRX-UHFFFAOYSA-N 0 0 380.275 3.497 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)ncc1Cl ZINC000121860649 564390402 /nfs/dbraw/zinc/39/04/02/564390402.db2.gz FFHSIHHBGRXSCI-UHFFFAOYSA-N 0 0 384.238 3.294 20 10 GGCDRN O=S(=O)(Nc1ccc(F)cc1Br)c1cccc2nsnc21 ZINC000036961545 564419462 /nfs/dbraw/zinc/41/94/62/564419462.db2.gz GFVMBCUHGBFYAD-UHFFFAOYSA-N 0 0 388.243 3.394 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCC(C)(C)CO ZINC000122711506 564424639 /nfs/dbraw/zinc/42/46/39/564424639.db2.gz CTJDQCQJSIKBQL-UHFFFAOYSA-N 0 0 387.318 3.485 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1Br ZINC000055523583 564622571 /nfs/dbraw/zinc/62/25/71/564622571.db2.gz XMNCAJHMGQUCCJ-UHFFFAOYSA-N 0 0 393.256 3.355 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000055877548 564634608 /nfs/dbraw/zinc/63/46/08/564634608.db2.gz NDOLBUGXQGPEDZ-UHFFFAOYSA-N 0 0 379.254 3.403 20 10 GGCDRN Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000056201966 564643747 /nfs/dbraw/zinc/64/37/47/564643747.db2.gz WJTTVRXCXAMESH-MRXNPFEDSA-N 0 0 380.897 3.007 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000131823515 564725419 /nfs/dbraw/zinc/72/54/19/564725419.db2.gz DKRXWWQBCADNSH-UHFFFAOYSA-N 0 0 392.249 3.127 20 10 GGCDRN O=C(CCSc1nccs1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000064661514 564733696 /nfs/dbraw/zinc/73/36/96/564733696.db2.gz ARWOTLGQJXDJIC-UHFFFAOYSA-N 0 0 397.547 3.049 20 10 GGCDRN CSC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000066762988 564774939 /nfs/dbraw/zinc/77/49/39/564774939.db2.gz URBBSEVTAKCKJC-GFCCVEGCSA-N 0 0 376.444 3.157 20 10 GGCDRN Cn1c(-c2ccccc2)cnc1SCc1csc(CS(C)(=O)=O)n1 ZINC000133885853 564787778 /nfs/dbraw/zinc/78/77/78/564787778.db2.gz VTGNJLXOOKVSDK-UHFFFAOYSA-N 0 0 379.532 3.381 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3ccncc3Br)CC2)cc1 ZINC000133934136 564789379 /nfs/dbraw/zinc/78/93/79/564789379.db2.gz MJZCZYOGJGFTKT-UHFFFAOYSA-N 0 0 390.281 3.205 20 10 GGCDRN COc1ccc(CCC(=O)NCc2cccc(OC)c2O)cc1Br ZINC000068489159 564820565 /nfs/dbraw/zinc/82/05/65/564820565.db2.gz DTMLUWDWPXJKTO-UHFFFAOYSA-N 0 0 394.265 3.421 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000137252751 564860401 /nfs/dbraw/zinc/86/04/01/564860401.db2.gz QQQAELYDKBZVPX-UHFFFAOYSA-N 0 0 379.254 3.122 20 10 GGCDRN COC[C@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000149993558 564887144 /nfs/dbraw/zinc/88/71/44/564887144.db2.gz DQOJEINXBLFEIF-OJLMPMFISA-N 0 0 398.575 3.128 20 10 GGCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CSCCS1 ZINC000108175262 565007881 /nfs/dbraw/zinc/00/78/81/565007881.db2.gz JHBUNHGWYBJKAV-OAHLLOKOSA-N 0 0 388.505 3.222 20 10 GGCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CSCCS1 ZINC000108175259 565008019 /nfs/dbraw/zinc/00/80/19/565008019.db2.gz JHBUNHGWYBJKAV-HNNXBMFYSA-N 0 0 388.505 3.222 20 10 GGCDRN OC1CCN(c2ccc(CNc3nnc(C(F)(F)F)s3)cc2F)CC1 ZINC000153759167 565010110 /nfs/dbraw/zinc/01/01/10/565010110.db2.gz SXVMYZWQRICHMN-UHFFFAOYSA-N 0 0 376.379 3.269 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000155208696 565064225 /nfs/dbraw/zinc/06/42/25/565064225.db2.gz HSWWIGUYMQNNCN-UHFFFAOYSA-N 0 0 394.269 3.216 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000155629451 565070065 /nfs/dbraw/zinc/07/00/65/565070065.db2.gz CZCAQQXKFKLZHU-UHFFFAOYSA-N 0 0 384.860 3.274 20 10 GGCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCNC(=O)C1CCC1 ZINC000156206997 565075741 /nfs/dbraw/zinc/07/57/41/565075741.db2.gz OEMWITMBLPWXJM-UHFFFAOYSA-N 0 0 382.302 3.494 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000266516395 565082523 /nfs/dbraw/zinc/08/25/23/565082523.db2.gz IYXVCVATUJRNJS-LLVKDONJSA-N 0 0 378.270 3.031 20 10 GGCDRN CCN(Cc1nnc2n1CCCCC2)Cc1cc(Br)ccc1O ZINC000266652054 565087434 /nfs/dbraw/zinc/08/74/34/565087434.db2.gz YSGQLWQKMWETDC-UHFFFAOYSA-N 0 0 379.302 3.495 20 10 GGCDRN CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156613834 565097621 /nfs/dbraw/zinc/09/76/21/565097621.db2.gz KFDYIKCTMOZUMB-ZIAGYGMSSA-N 0 0 383.279 3.279 20 10 GGCDRN CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156614099 565098341 /nfs/dbraw/zinc/09/83/41/565098341.db2.gz KFDYIKCTMOZUMB-KGLIPLIRSA-N 0 0 383.279 3.279 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1nnc(C)s1 ZINC000292294229 565108877 /nfs/dbraw/zinc/10/88/77/565108877.db2.gz KSTWLKMEJISEEU-UHFFFAOYSA-N 0 0 399.314 3.089 20 10 GGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000268012840 565138730 /nfs/dbraw/zinc/13/87/30/565138730.db2.gz RPULAMOEKIHFSR-UHFFFAOYSA-N 0 0 383.491 3.028 20 10 GGCDRN Cn1cc(Br)c(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000292990720 565144904 /nfs/dbraw/zinc/14/49/04/565144904.db2.gz RWUVKLUJMDWONG-AWEZNQCLSA-N 0 0 380.286 3.069 20 10 GGCDRN C[C@H](CCCO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000268721061 565164215 /nfs/dbraw/zinc/16/42/15/565164215.db2.gz ZXAAZCVPDLGRLK-POKNLVKOSA-N 0 0 398.575 3.007 20 10 GGCDRN CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000184979401 565169356 /nfs/dbraw/zinc/16/93/56/565169356.db2.gz JELPOPFNELAAAL-SNVBAGLBSA-N 0 0 381.325 3.164 20 10 GGCDRN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185007307 565171822 /nfs/dbraw/zinc/17/18/22/565171822.db2.gz LCAUGXASXIMENN-GFCCVEGCSA-N 0 0 388.339 3.340 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc2n1CCCC2 ZINC000371017140 565173265 /nfs/dbraw/zinc/17/32/65/565173265.db2.gz HUWZNGMZMOOGQA-UHFFFAOYSA-N 0 0 378.270 3.350 20 10 GGCDRN O=C(NCc1ccc(O)c(O)c1)C1(Cc2ccccc2Br)CC1 ZINC000293597303 565176040 /nfs/dbraw/zinc/17/60/40/565176040.db2.gz DMUBAPKVCGWACJ-UHFFFAOYSA-N 0 0 376.250 3.499 20 10 GGCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NOCC1CC1 ZINC000293727346 565181235 /nfs/dbraw/zinc/18/12/35/565181235.db2.gz HILNQCIAGRILMK-LCYFTJDESA-N 0 0 382.532 3.187 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCSC[C@H]2c2nccs2)cc1F ZINC000185291871 565193780 /nfs/dbraw/zinc/19/37/80/565193780.db2.gz MFEVYZMDDCDRPJ-HNNXBMFYSA-N 0 0 380.514 3.348 20 10 GGCDRN CC(C)CONC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000269701329 565198121 /nfs/dbraw/zinc/19/81/21/565198121.db2.gz KHDZJMAVSBGKGK-LCYFTJDESA-N 0 0 384.548 3.433 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000270310154 565214771 /nfs/dbraw/zinc/21/47/71/565214771.db2.gz PSSQRJQMBJCIHS-NSHDSACASA-N 0 0 378.270 3.031 20 10 GGCDRN CS[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000160101096 565230454 /nfs/dbraw/zinc/23/04/54/565230454.db2.gz SAECIALEANZVNV-GFCCVEGCSA-N 0 0 376.444 3.300 20 10 GGCDRN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083704 565238301 /nfs/dbraw/zinc/23/83/01/565238301.db2.gz VCODXTAQFUWDHU-MFKMUULPSA-N 0 0 383.279 3.197 20 10 GGCDRN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186100829 565239854 /nfs/dbraw/zinc/23/98/54/565239854.db2.gz FSCRKANXAWMHPA-SNVBAGLBSA-N 0 0 393.336 3.306 20 10 GGCDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccc(N3CC=CC3)cc2)s1 ZINC000271345911 565249615 /nfs/dbraw/zinc/24/96/15/565249615.db2.gz GREILNKSAUAVAV-UHFFFAOYSA-N 0 0 379.463 3.048 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CC1CC(F)(F)C1 ZINC000295164050 565249668 /nfs/dbraw/zinc/24/96/68/565249668.db2.gz FRHPIMGFYDQDBS-UHFFFAOYSA-N 0 0 398.269 3.352 20 10 GGCDRN COC(=O)c1cnc(SCC(=O)NCc2cc(Cl)ccc2OC)s1 ZINC000295167532 565249687 /nfs/dbraw/zinc/24/96/87/565249687.db2.gz HXEFKBQYLYDPOJ-UHFFFAOYSA-N 0 0 386.882 3.000 20 10 GGCDRN COC(=O)c1cnc(SCC(=O)c2cccc(N3CCCC3=O)c2)s1 ZINC000295268657 565256317 /nfs/dbraw/zinc/25/63/17/565256317.db2.gz JIQLKNNQJADHHB-UHFFFAOYSA-N 0 0 376.459 3.032 20 10 GGCDRN COC(=O)c1cnc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)s1 ZINC000295276875 565256674 /nfs/dbraw/zinc/25/66/74/565256674.db2.gz KBRPMZZXKQVGKC-UHFFFAOYSA-N 0 0 394.396 3.206 20 10 GGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000295268524 565256829 /nfs/dbraw/zinc/25/68/29/565256829.db2.gz JHCQDFHCAOPGTF-SECBINFHSA-N 0 0 382.463 3.066 20 10 GGCDRN COC(=O)c1cnc(S[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)s1 ZINC000295333585 565260193 /nfs/dbraw/zinc/26/01/93/565260193.db2.gz PEHIEEOTCPIEPY-SNVBAGLBSA-N 0 0 390.408 3.137 20 10 GGCDRN CCS(=O)(=O)c1ccc2oc(CSc3ncc(C(=O)OC)s3)nc2c1 ZINC000295372134 565262477 /nfs/dbraw/zinc/26/24/77/565262477.db2.gz SMLSJAIRAIKPOT-UHFFFAOYSA-N 0 0 398.487 3.157 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000272122962 565278179 /nfs/dbraw/zinc/27/81/79/565278179.db2.gz SYJPFKXXULPMTG-UHFFFAOYSA-N 0 0 388.276 3.042 20 10 GGCDRN CC[C@@](C)(CO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000272823414 565298586 /nfs/dbraw/zinc/29/85/86/565298586.db2.gz NMDRFTTWJLYHFP-QFSNBGPKSA-N 0 0 398.575 3.007 20 10 GGCDRN COC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])OC ZINC000273401015 565320042 /nfs/dbraw/zinc/32/00/42/565320042.db2.gz GHCFTJVYMBJZTR-WCBMZHEXSA-N 0 0 397.107 3.229 20 10 GGCDRN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000273401614 565320397 /nfs/dbraw/zinc/32/03/97/565320397.db2.gz NEITWGLZIVVESJ-SNVBAGLBSA-N 0 0 389.304 3.458 20 10 GGCDRN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000273401608 565320409 /nfs/dbraw/zinc/32/04/09/565320409.db2.gz NEITWGLZIVVESJ-JTQLQIEISA-N 0 0 389.304 3.458 20 10 GGCDRN CCc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 ZINC000187318225 565322646 /nfs/dbraw/zinc/32/26/46/565322646.db2.gz AJKSKUOSRZSJTB-UHFFFAOYSA-N 0 0 382.507 3.120 20 10 GGCDRN CC(C)(CNC(=O)NCc1cccc(Br)c1O)c1ccccn1 ZINC000296616514 565326620 /nfs/dbraw/zinc/32/66/20/565326620.db2.gz IOJMMYQJRKTTTG-UHFFFAOYSA-N 0 0 378.270 3.327 20 10 GGCDRN C[C@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCS(=O)(=O)C1 ZINC000297016164 565350713 /nfs/dbraw/zinc/35/07/13/565350713.db2.gz WXEPHRMMENYKFR-INIZCTEOSA-N 0 0 378.563 3.251 20 10 GGCDRN COc1cc(Br)cc(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000374745610 565353394 /nfs/dbraw/zinc/35/33/94/565353394.db2.gz YAEDSEFVYYEJKU-UHFFFAOYSA-N 0 0 396.285 3.408 20 10 GGCDRN CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000374788470 565354015 /nfs/dbraw/zinc/35/40/15/565354015.db2.gz OTSJQZAJZZEXJD-GFCCVEGCSA-N 0 0 393.285 3.216 20 10 GGCDRN C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000274749746 565379449 /nfs/dbraw/zinc/37/94/49/565379449.db2.gz GJMYYYPLOYLARK-YVEFUNNKSA-N 0 0 376.298 3.392 20 10 GGCDRN Cc1cc(Br)cc([C@@H](C)Nc2cnn(CC(=O)NC3CC3)c2)c1O ZINC000275309356 565402331 /nfs/dbraw/zinc/40/23/31/565402331.db2.gz JFDXZPWTTACEQB-LLVKDONJSA-N 0 0 393.285 3.111 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000188520599 565406934 /nfs/dbraw/zinc/40/69/34/565406934.db2.gz JWXVRDCFULOANZ-DOMZBBRYSA-N 0 0 385.302 3.237 20 10 GGCDRN Cn1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 ZINC000298346709 565409569 /nfs/dbraw/zinc/40/95/69/565409569.db2.gz FPWAQAACDIUODB-BENRWUELSA-N 0 0 392.531 3.102 20 10 GGCDRN Cn1cc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cn1 ZINC000298406123 565413443 /nfs/dbraw/zinc/41/34/43/565413443.db2.gz KJYPGGVHBKDVOL-JYRVWZFOSA-N 0 0 392.531 3.102 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NCc2nnc(SC)s2)cc1F ZINC000275483062 565414302 /nfs/dbraw/zinc/41/43/02/565414302.db2.gz ONQAIAXVJDAZBF-UHFFFAOYSA-N 0 0 383.518 3.245 20 10 GGCDRN COC[C@@H](C)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298679258 565424698 /nfs/dbraw/zinc/42/46/98/565424698.db2.gz AOGFHIJSKSCMQJ-XTCQQWIJSA-N 0 0 398.575 3.223 20 10 GGCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCOCC1 ZINC000298841711 565430687 /nfs/dbraw/zinc/43/06/87/565430687.db2.gz CAEACXKSZUOWTE-KAMYIIQDSA-N 0 0 396.559 3.025 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cnn(C)c(=O)c1Br ZINC000301270579 565476566 /nfs/dbraw/zinc/47/65/66/565476566.db2.gz XSSLFXOQNDPDHC-UHFFFAOYSA-N 0 0 391.313 3.170 20 10 GGCDRN C[C@@H](CCO)C1(CNC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000277274904 565487148 /nfs/dbraw/zinc/48/71/48/565487148.db2.gz AIWMKYBXEVMLHK-LBPRGKRZSA-N 0 0 385.302 3.143 20 10 GGCDRN C[C@H](CCO)C1(CNC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000277274899 565487182 /nfs/dbraw/zinc/48/71/82/565487182.db2.gz AIWMKYBXEVMLHK-GFCCVEGCSA-N 0 0 385.302 3.143 20 10 GGCDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277402563 565494553 /nfs/dbraw/zinc/49/45/53/565494553.db2.gz BMHMYSRDUZIRLM-SNVBAGLBSA-N 0 0 380.286 3.000 20 10 GGCDRN Cc1c(C(=O)NCc2cccc(Br)c2O)[nH]c2c1C(=O)CCC2 ZINC000277429628 565495399 /nfs/dbraw/zinc/49/53/99/565495399.db2.gz DNBPHBIMFQUOMR-UHFFFAOYSA-N 0 0 377.238 3.240 20 10 GGCDRN CCc1nc(CCNC(=O)NCc2cccc(Br)c2O)cs1 ZINC000277432892 565496482 /nfs/dbraw/zinc/49/64/82/565496482.db2.gz MACCYEPBLJOGPC-UHFFFAOYSA-N 0 0 384.299 3.216 20 10 GGCDRN O=C(CCOCC(F)(F)C(F)F)NCc1cccc(Br)c1O ZINC000277432220 565497184 /nfs/dbraw/zinc/49/71/84/565497184.db2.gz DTWZIBYEYVDIBL-UHFFFAOYSA-N 0 0 388.155 3.078 20 10 GGCDRN COc1ccc(CCC(=O)NCc2cccc(Br)c2O)cc1OC ZINC000277462012 565498702 /nfs/dbraw/zinc/49/87/02/565498702.db2.gz HDMXFEVKYCGPNZ-UHFFFAOYSA-N 0 0 394.265 3.421 20 10 GGCDRN COCCOc1ccc(CC(=O)NCc2cccc(Br)c2O)cc1 ZINC000277495165 565501171 /nfs/dbraw/zinc/50/11/71/565501171.db2.gz JUKLKROBUMNJMB-UHFFFAOYSA-N 0 0 394.265 3.039 20 10 GGCDRN O=C(CC1CCC2(CC1)OCCO2)NCc1cccc(Br)c1O ZINC000277553873 565506783 /nfs/dbraw/zinc/50/67/83/565506783.db2.gz OMUGJFUHTITYBM-UHFFFAOYSA-N 0 0 384.270 3.094 20 10 GGCDRN CC(C)(O)c1ccc(CNC(=O)NCc2cccc(Br)c2O)cc1 ZINC000277624440 565509818 /nfs/dbraw/zinc/50/98/18/565509818.db2.gz WNVVHZGCMXBOCR-UHFFFAOYSA-N 0 0 393.281 3.382 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000277795647 565520861 /nfs/dbraw/zinc/52/08/61/565520861.db2.gz SURPWGURWZNHEN-CYBMUJFWSA-N 0 0 383.286 3.446 20 10 GGCDRN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)ccc21 ZINC000378473828 565528556 /nfs/dbraw/zinc/52/85/56/565528556.db2.gz LUHRMSGGEZLBLO-UHFFFAOYSA-N 0 0 380.853 3.146 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000277973558 565531256 /nfs/dbraw/zinc/53/12/56/565531256.db2.gz IRKYRJPQXSWUQL-UHFFFAOYSA-N 0 0 392.297 3.207 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000278419938 565558160 /nfs/dbraw/zinc/55/81/60/565558160.db2.gz MZQQOQIJJHTORU-OAHLLOKOSA-N 0 0 380.535 3.195 20 10 GGCDRN Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000174091779 565612326 /nfs/dbraw/zinc/61/23/26/565612326.db2.gz POUVEBUKCWLREC-UHFFFAOYSA-N 0 0 380.897 3.055 20 10 GGCDRN CCN(CC(=O)N(C)c1nccs1)Cc1cc(Br)ccc1O ZINC000174425622 565635070 /nfs/dbraw/zinc/63/50/70/565635070.db2.gz OKCLFHYTEGAYNI-UHFFFAOYSA-N 0 0 384.299 3.096 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000175108832 565680414 /nfs/dbraw/zinc/68/04/14/565680414.db2.gz IVAWJKCWOYDVCJ-LLVKDONJSA-N 0 0 395.301 3.489 20 10 GGCDRN Cc1cc(Br)cc(CNc2ccc(C(=O)NCCCO)cc2)c1O ZINC000280652651 565686686 /nfs/dbraw/zinc/68/66/86/565686686.db2.gz KANCSTVDXVPMJB-UHFFFAOYSA-N 0 0 393.281 3.187 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCOC1CCOCC1 ZINC000175552159 565708289 /nfs/dbraw/zinc/70/82/89/565708289.db2.gz JYZKGVWLDJFYGO-UHFFFAOYSA-N 0 0 386.286 3.089 20 10 GGCDRN Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010690 565724494 /nfs/dbraw/zinc/72/44/94/565724494.db2.gz LVKZIUFXBUJCSL-HZMBPMFUSA-N 0 0 383.279 3.197 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000192999893 565724606 /nfs/dbraw/zinc/72/46/06/565724606.db2.gz AXOIAOVIIFLNAD-HNNXBMFYSA-N 0 0 378.222 3.074 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cn1c(C)c(C)sc1=O ZINC000175844688 565727181 /nfs/dbraw/zinc/72/71/81/565727181.db2.gz DEMQXHLMLZZLRU-UHFFFAOYSA-N 0 0 399.310 3.043 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCc1nc(C)no1 ZINC000175841732 565727378 /nfs/dbraw/zinc/72/73/78/565727378.db2.gz BHMJGGIKACOMKN-UHFFFAOYSA-N 0 0 382.258 3.218 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c(C)nn(C)c1C ZINC000175843277 565727393 /nfs/dbraw/zinc/72/73/93/565727393.db2.gz ZKHYHVQJGISHQC-UHFFFAOYSA-N 0 0 394.313 3.486 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccoc1Br ZINC000193436729 565751726 /nfs/dbraw/zinc/75/17/26/565751726.db2.gz YSFWMHMXEXCBRT-UHFFFAOYSA-N 0 0 397.244 3.072 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000282025647 565762260 /nfs/dbraw/zinc/76/22/60/565762260.db2.gz DUXCRTGTLFSPHI-INIZCTEOSA-N 0 0 380.897 3.007 20 10 GGCDRN COc1cccc(CNc2cnc(N3CCOCC3)c(Br)c2)c1O ZINC000282154805 565767289 /nfs/dbraw/zinc/76/72/89/565767289.db2.gz HYIGIAPBKUFJRJ-UHFFFAOYSA-N 0 0 394.269 3.007 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCOC3)cc2Cl)C1 ZINC000282460389 565780670 /nfs/dbraw/zinc/78/06/70/565780670.db2.gz WBFVESVDJNUABQ-GOEBONIOSA-N 0 0 386.945 3.032 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCCS(C)(=O)=O)cc2Cl)C1 ZINC000282606970 565788610 /nfs/dbraw/zinc/78/86/10/565788610.db2.gz IYBAVOIAUVORSR-AWEZNQCLSA-N 0 0 386.945 3.017 20 10 GGCDRN Cc1nc(Br)ccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000194001379 565789869 /nfs/dbraw/zinc/78/98/69/565789869.db2.gz LQLNRWJGDBEFTJ-SECBINFHSA-N 0 0 380.242 3.316 20 10 GGCDRN COc1ccc(NCc2cc(Cl)cc(OC)c2O)cc1NS(C)(=O)=O ZINC000282870439 565800222 /nfs/dbraw/zinc/80/02/22/565800222.db2.gz VSGSGNXTDYQDHQ-UHFFFAOYSA-N 0 0 386.857 3.046 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccoc1CC(=O)OC ZINC000283485118 565820665 /nfs/dbraw/zinc/82/06/65/565820665.db2.gz QEUJNRGPYYORKE-UHFFFAOYSA-N 0 0 396.237 3.126 20 10 GGCDRN COc1ccc(CCC(=O)NCCc2ccc(N)cc2)cc1Br ZINC000237191458 565953855 /nfs/dbraw/zinc/95/38/55/565953855.db2.gz MXZUNXVDYWFNMC-UHFFFAOYSA-N 0 0 377.282 3.331 20 10 GGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000237903716 565973460 /nfs/dbraw/zinc/97/34/60/565973460.db2.gz DTHAMOQVRALIQU-HNNXBMFYSA-N 0 0 388.309 3.217 20 10 GGCDRN Nc1ccc(CC(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000237894656 565973811 /nfs/dbraw/zinc/97/38/11/565973811.db2.gz IWJCCYLSXITYKV-KRWDZBQOSA-N 0 0 375.266 3.174 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3Cl)cc2)CC1 ZINC000286730110 565977390 /nfs/dbraw/zinc/97/73/90/565977390.db2.gz IDAKUEJDHNYFAR-UHFFFAOYSA-N 0 0 377.897 3.000 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3ncccc3Br)cc2)CC1 ZINC000286765218 565978817 /nfs/dbraw/zinc/97/88/17/565978817.db2.gz SSICJXMJONQCJR-UHFFFAOYSA-N 0 0 389.297 3.125 20 10 GGCDRN CC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265536 566007950 /nfs/dbraw/zinc/00/79/50/566007950.db2.gz AQTCZWUFIULSRU-IUODEOHRSA-N 0 0 377.794 3.270 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCOC[C@@H]1C ZINC000287709217 566035948 /nfs/dbraw/zinc/03/59/48/566035948.db2.gz BOXIFHVLNRYEBP-QWHCGFSZSA-N 0 0 385.302 3.359 20 10 GGCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287745547 566037267 /nfs/dbraw/zinc/03/72/67/566037267.db2.gz PYIZCTGEUVQFIG-BXUZGUMPSA-N 0 0 385.295 3.493 20 10 GGCDRN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)cc(F)c1[O-] ZINC000364746933 566068080 /nfs/dbraw/zinc/06/80/80/566068080.db2.gz VVBHAOUVNJWZHE-NSHDSACASA-N 0 0 395.276 3.403 20 10 GGCDRN O=C(c1cncc(Br)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000247856335 566068485 /nfs/dbraw/zinc/06/84/85/566068485.db2.gz JZKOWRZFGIVCKP-INIZCTEOSA-N 0 0 391.265 3.371 20 10 GGCDRN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@@H]1CCOC1 ZINC000180623779 566078185 /nfs/dbraw/zinc/07/81/85/566078185.db2.gz DHILVDUBTCQAFP-VIFPVBQESA-N 0 0 379.092 3.386 20 10 GGCDRN C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865269 566094123 /nfs/dbraw/zinc/09/41/23/566094123.db2.gz XNUPCBHEOQDSFG-BDAKNGLRSA-N 0 0 379.092 3.120 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)Nc3nc(SC)ns3)CC2)cc1 ZINC000366258155 566144528 /nfs/dbraw/zinc/14/45/28/566144528.db2.gz HKMPUVDSIYEJKI-UHFFFAOYSA-N 0 0 379.511 3.013 20 10 GGCDRN COCC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CCOCC1 ZINC000366500983 566154670 /nfs/dbraw/zinc/15/46/70/566154670.db2.gz PODNBIVMLNCZPB-NSHDSACASA-N 0 0 376.266 3.388 20 10 GGCDRN CO[C@H](C)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000263749663 566195396 /nfs/dbraw/zinc/19/53/96/566195396.db2.gz FGGLAQRABYVXPE-POKNLVKOSA-N 0 0 398.575 3.271 20 10 GGCDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cc2C[C@@H]1C ZINC000182492643 566207550 /nfs/dbraw/zinc/20/75/50/566207550.db2.gz KAPXBFSRUXKKIL-JTQLQIEISA-N 0 0 380.853 3.144 20 10 GGCDRN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)cc21 ZINC000182491408 566207670 /nfs/dbraw/zinc/20/76/70/566207670.db2.gz XGFMGOJGLZUJDU-UHFFFAOYSA-N 0 0 380.853 3.146 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000368152507 566231472 /nfs/dbraw/zinc/23/14/72/566231472.db2.gz RWTAWTBPWULNTQ-ZDUSSCGKSA-N 0 0 392.297 3.271 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccnc1Br ZINC000183243934 566241499 /nfs/dbraw/zinc/24/14/99/566241499.db2.gz ZZQNGVBOFVTRBN-UHFFFAOYSA-N 0 0 377.242 3.341 20 10 GGCDRN COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)sc1Br ZINC000183418880 566246754 /nfs/dbraw/zinc/24/67/54/566246754.db2.gz XFTSYNFFZNJDGZ-MRVPVSSYSA-N 0 0 386.267 3.291 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000183443143 566247155 /nfs/dbraw/zinc/24/71/55/566247155.db2.gz DXUBITDTJXNUJB-QMTHXVAHSA-N 0 0 392.249 3.084 20 10 GGCDRN COc1ccc2c(c1)CCCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000536552901 566383586 /nfs/dbraw/zinc/38/35/86/566383586.db2.gz MBZNJMVFBSKFMX-UHFFFAOYSA-N 0 0 375.475 3.232 20 10 GGCDRN O=S(=O)(Nc1cc(F)c(OC(F)F)cc1F)c1cccc2nsnc21 ZINC000562941489 566837142 /nfs/dbraw/zinc/83/71/42/566837142.db2.gz JTFMVIAJVCYLDY-UHFFFAOYSA-N 0 0 393.343 3.372 20 10 GGCDRN CCCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc2nsnc21 ZINC000518956609 566911593 /nfs/dbraw/zinc/91/15/93/566911593.db2.gz XRJLIODQMTWAES-UHFFFAOYSA-N 0 0 378.435 3.205 20 10 GGCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1cc[nH]c(=O)c1Br ZINC000471235183 566939397 /nfs/dbraw/zinc/93/93/97/566939397.db2.gz DCIMJPMUHYFCBN-UHFFFAOYSA-N 0 0 388.265 3.209 20 10 GGCDRN O=S(=O)(c1cccc2nsnc21)N1CC2(CCC2)c2c1cccc2F ZINC000522349735 567113675 /nfs/dbraw/zinc/11/36/75/567113675.db2.gz BJFFQHOAHBVJGI-UHFFFAOYSA-N 0 0 375.450 3.461 20 10 GGCDRN COc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl ZINC000525212849 567235700 /nfs/dbraw/zinc/23/57/00/567235700.db2.gz VNZIFSWNIOSNNK-UHFFFAOYSA-N 0 0 382.869 3.002 20 10 GGCDRN C[C@@H](NC(c1nccn1C)c1nccn1C)c1cc(Br)ccc1O ZINC000527949606 567386356 /nfs/dbraw/zinc/38/63/56/567386356.db2.gz WFCPQHLHROUGNF-LLVKDONJSA-N 0 0 390.285 3.062 20 10 GGCDRN C[C@@H](NC(c1nccn1C)c1nccn1C)c1ccc(Br)cc1O ZINC000527944184 567386714 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COc1ccc(N2CCN(Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)cc1 ZINC000006476250 570446347 /nfs/dbraw/zinc/44/63/47/570446347.db2.gz CZJSNLGGOUJCEQ-UHFFFAOYSA-N 0 0 384.867 3.320 20 10 GGCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)cc1 ZINC000005635878 570677465 /nfs/dbraw/zinc/67/74/65/570677465.db2.gz UGIPVRBPYNAAFO-UHFFFAOYSA-N 0 0 395.415 3.446 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cn(C)c3ccccc23)cc1 ZINC000007103976 570788885 /nfs/dbraw/zinc/78/88/85/570788885.db2.gz SRYNBAFCQVIWKE-UHFFFAOYSA-N 0 0 379.460 3.060 20 10 GGCDRN CC(C)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1ccccc1 ZINC000170605703 570863349 /nfs/dbraw/zinc/86/33/49/570863349.db2.gz CAKQPIYRXBZGOF-INIZCTEOSA-N 0 0 390.505 3.008 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012564703 570869909 /nfs/dbraw/zinc/86/99/09/570869909.db2.gz YUKHHWHSKVESJV-UHFFFAOYSA-N 0 0 389.839 3.357 20 10 GGCDRN CCO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCC2 ZINC000170614014 570871461 /nfs/dbraw/zinc/87/14/61/570871461.db2.gz QUFCUBPKBKKAEJ-HZPDHXFCSA-N 0 0 378.856 3.158 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1 ZINC000047118818 570940503 /nfs/dbraw/zinc/94/05/03/570940503.db2.gz XYFMQVMPDHRNBT-UHFFFAOYSA-N 0 0 375.476 3.283 20 10 GGCDRN COc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc2ccccc21 ZINC000083915474 570979131 /nfs/dbraw/zinc/97/91/31/570979131.db2.gz URJFPTAKHHBPLY-UHFFFAOYSA-N 0 0 377.444 3.010 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000045799537 570997128 /nfs/dbraw/zinc/99/71/28/570997128.db2.gz KYCYPGYAQYRUGV-UHFFFAOYSA-N 0 0 377.466 3.013 20 10 GGCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)cc2)SC(=S)N1C(C1CC1)C1CC1 ZINC000738288592 599184824 /nfs/dbraw/zinc/18/48/24/599184824.db2.gz CCVDBKHDJPICPF-ZROIWOOFSA-N 0 0 383.502 3.257 20 10 GGCDRN CCCN(Cc1ccccc1O)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000821110283 607305448 /nfs/dbraw/zinc/30/54/48/607305448.db2.gz ZDPOKVXNYKUKMQ-UHFFFAOYSA-N 0 0 378.358 3.403 20 10 GGCDRN C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2cccc(C(=O)[O-])c2)SC1=S ZINC000820535234 598201182 /nfs/dbraw/zinc/20/11/82/598201182.db2.gz JNYUSJYHBQFNGZ-NTEUORMPSA-N 0 0 378.519 3.174 20 10 GGCDRN CN(C)c1ccc(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000736774637 598318903 /nfs/dbraw/zinc/31/89/03/598318903.db2.gz WAZMXKUXHYJDAK-UHFFFAOYSA-N 0 0 387.900 3.073 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000736280939 598511342 /nfs/dbraw/zinc/51/13/42/598511342.db2.gz RPXDASPTGOMQRV-UHFFFAOYSA-N 0 0 391.479 3.425 20 10 GGCDRN CCN(CC)c1ccc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1F ZINC000736531927 598556774 /nfs/dbraw/zinc/55/67/74/598556774.db2.gz MSNDNLLXHYCZIX-UHFFFAOYSA-N 0 0 385.403 3.372 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000736532988 598561309 /nfs/dbraw/zinc/56/13/09/598561309.db2.gz WZGNTRGVQBRIAP-UHFFFAOYSA-N 0 0 383.431 3.174 20 10 GGCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccco2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234278 598610590 /nfs/dbraw/zinc/61/05/90/598610590.db2.gz ODKUBKAJWMDUBZ-ZDUSSCGKSA-N 0 0 390.447 3.228 20 10 GGCDRN Cc1cc(C(=O)NCc2ccc(Cl)o2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236642 598611078 /nfs/dbraw/zinc/61/10/78/598611078.db2.gz PLXNSQBLJNSWQY-UHFFFAOYSA-N 0 0 396.838 3.451 20 10 GGCDRN OCC1CCN(c2ccc(CNc3cc(Cl)ccc3-c3nn[nH]n3)cc2)CC1 ZINC000738395795 598635737 /nfs/dbraw/zinc/63/57/37/598635737.db2.gz ZFXPGSSCXWUKRY-UHFFFAOYSA-N 0 0 398.898 3.341 20 10 GGCDRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)o3)SC2=S)c1 ZINC000822196401 599308664 /nfs/dbraw/zinc/30/86/64/599308664.db2.gz IBUVHQAOLXZDLM-RIYZIHGNSA-N 0 0 383.458 3.482 20 10 GGCDRN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)o3)SC2=S)c1 ZINC000822196402 599309218 /nfs/dbraw/zinc/30/92/18/599309218.db2.gz IBUVHQAOLXZDLM-ZSOIEALJSA-N 0 0 383.458 3.482 20 10 GGCDRN CC(=O)c1ccc(N2C(=O)C(=Cc3ccc(-c4nn[nH]n4)o3)SC2=S)cc1 ZINC000819835367 599311110 /nfs/dbraw/zinc/31/11/10/599311110.db2.gz WPEHLYVFSPLSLT-ZSOIEALJSA-N 0 0 397.441 3.068 20 10 GGCDRN CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[nH]n3)o2)SC1=S ZINC000821496530 599311842 /nfs/dbraw/zinc/31/18/42/599311842.db2.gz HMXVSBKWHTVCOC-ZROIWOOFSA-N 0 0 383.458 3.428 20 10 GGCDRN CCc1cnc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)o1 ZINC000821499555 599660148 /nfs/dbraw/zinc/66/01/48/599660148.db2.gz MRHNSRXWPVIXAX-UHFFFAOYSA-N 0 0 392.419 3.182 20 10 GGCDRN Cc1cc(C(=O)CN2CCC([NH2+]C(C)C)CC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000738321235 599857622 /nfs/dbraw/zinc/85/76/22/599857622.db2.gz XSIWJGZNCXXLQN-UHFFFAOYSA-N 0 0 397.519 3.437 20 10 GGCDRN Cc1oc(/C=C2/SC(=S)N(CC(C)(C)C[NH+](C)C)C2=O)cc1C(=O)[O-] ZINC000738970972 600037612 /nfs/dbraw/zinc/03/76/12/600037612.db2.gz ZKCKCUDPHQKCON-NTUHNPAUSA-N 0 0 382.507 3.075 20 10 GGCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000740098732 600281433 /nfs/dbraw/zinc/28/14/33/600281433.db2.gz TXQJVQXNWJNPHA-INIZCTEOSA-N 0 0 382.460 3.078 20 10 GGCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000740098736 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COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1F ZINC000134115390 1417024298 /nfs/dbraw/zinc/02/42/98/1417024298.db2.gz AYRCAAREMVTASU-UHFFFAOYSA-N 0 0 393.802 3.358 20 10 GGCDRN C[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F ZINC000134332591 1417056851 /nfs/dbraw/zinc/05/68/51/1417056851.db2.gz UQQWENBSRCUXHU-ZDUSSCGKSA-N 0 0 378.394 3.360 20 10 GGCDRN Cc1cncc(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000134544039 1417084481 /nfs/dbraw/zinc/08/44/81/1417084481.db2.gz HYDWAZOPZLYJOE-MRXNPFEDSA-N 0 0 390.434 3.460 20 10 GGCDRN Cc1nc(COc2cccc(C(=O)NCCCSc3nccs3)c2)no1 ZINC000134576346 1417090447 /nfs/dbraw/zinc/09/04/47/1417090447.db2.gz YPDRUXDRDYQWNE-UHFFFAOYSA-N 0 0 390.490 3.326 20 10 GGCDRN CCCn1ccc2cc(NC(=O)C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)ccc21 ZINC000134609893 1417095768 /nfs/dbraw/zinc/09/57/68/1417095768.db2.gz CBFLQAOKIIXMMW-CQSZACIVSA-N 0 0 395.459 3.148 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccnc1OCC(F)F ZINC000134620979 1417099058 /nfs/dbraw/zinc/09/90/58/1417099058.db2.gz HTKRTWLHSVRRIF-UHFFFAOYSA-N 0 0 378.423 3.099 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134694550 1417113455 /nfs/dbraw/zinc/11/34/55/1417113455.db2.gz YEJWTGHMQZRAEM-UHFFFAOYSA-N 0 0 379.420 3.085 20 10 GGCDRN C[C@@H](NC(=O)c1ccnc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000134742040 1417119184 /nfs/dbraw/zinc/11/91/84/1417119184.db2.gz SFTNIGSIUULBOG-CYBMUJFWSA-N 0 0 390.281 3.172 20 10 GGCDRN C[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)c1ccc(N2CCOCC2)cc1 ZINC000134966766 1417153979 /nfs/dbraw/zinc/15/39/79/1417153979.db2.gz XZTXUSJVHMTOKI-MRXNPFEDSA-N 0 0 398.507 3.374 20 10 GGCDRN C[C@H](O)C[C@H]1COCCN1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000134984172 1417156344 /nfs/dbraw/zinc/15/63/44/1417156344.db2.gz SRWXOSUTJZGIAU-UWJYYQICSA-N 0 0 389.540 3.137 20 10 GGCDRN O=C(Cc1ccc(F)cc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000135059888 1417168486 /nfs/dbraw/zinc/16/84/86/1417168486.db2.gz BDYUYAUAYLLDJM-UHFFFAOYSA-N 0 0 380.822 3.314 20 10 GGCDRN O=C(Cc1ccc(F)cc1Cl)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000135061083 1417168813 /nfs/dbraw/zinc/16/88/13/1417168813.db2.gz LKHFFWGRDURDIV-UHFFFAOYSA-N 0 0 394.849 3.438 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)cc1 ZINC000135085469 1417171657 /nfs/dbraw/zinc/17/16/57/1417171657.db2.gz JNTWPDXRNWFFCV-UHFFFAOYSA-N 0 0 397.450 3.072 20 10 GGCDRN COc1ccc(N2CCN(Cc3nc(-c4ccc(C)c(OC)c4)no3)CC2)cc1 ZINC000178767919 1429164143 /nfs/dbraw/zinc/16/41/43/1429164143.db2.gz KDLUXNVMRKBLRM-UHFFFAOYSA-N 0 0 394.475 3.384 20 10 GGCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc2ccccc21 ZINC000135277471 1417201493 /nfs/dbraw/zinc/20/14/93/1417201493.db2.gz XOYBXLPXKKRCTL-ZDUSSCGKSA-N 0 0 384.457 3.408 20 10 GGCDRN CCN(Cc1ccccc1Cl)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000135378283 1417212825 /nfs/dbraw/zinc/21/28/25/1417212825.db2.gz OFEISKKQFRFQMD-UHFFFAOYSA-N 0 0 382.869 3.079 20 10 GGCDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000135421472 1417217877 /nfs/dbraw/zinc/21/78/77/1417217877.db2.gz KJFCPZRXYSVTIZ-OSICKASQSA-N 0 0 380.492 3.240 20 10 GGCDRN COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000135504640 1417230050 /nfs/dbraw/zinc/23/00/50/1417230050.db2.gz SLRKUNKAOLGGLH-MRXNPFEDSA-N 0 0 385.508 3.448 20 10 GGCDRN Cc1cc(C(=O)Nc2cc(CSCCO)ccn2)c(C)n1-c1ccccn1 ZINC000135902796 1417276965 /nfs/dbraw/zinc/27/69/65/1417276965.db2.gz IEKURYPSEORLGC-UHFFFAOYSA-N 0 0 382.489 3.362 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)[C@]23CCC(=O)N2c2ccccc2S3)cc1 ZINC000135921256 1417278733 /nfs/dbraw/zinc/27/87/33/1417278733.db2.gz BSWNZWUXKYGWGK-OAQYLSRUSA-N 0 0 381.501 3.340 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC000135938042 1417279700 /nfs/dbraw/zinc/27/97/00/1417279700.db2.gz JORQZRRERQOCCP-UHFFFAOYSA-N 0 0 394.447 3.059 20 10 GGCDRN O=C(NCCc1cc2ccccc2[nH]1)NCc1ccc(N2CCOCC2)cc1 ZINC000136112591 1417292945 /nfs/dbraw/zinc/29/29/45/1417292945.db2.gz QOOGEUTXEQAGER-UHFFFAOYSA-N 0 0 378.476 3.046 20 10 GGCDRN C[C@H](NC(=O)N1CCc2ccc(F)cc2C1)c1ccc(N2CCOCC2)cc1 ZINC000136123251 1417293553 /nfs/dbraw/zinc/29/35/53/1417293553.db2.gz MIRXICLCGATCKV-INIZCTEOSA-N 0 0 383.467 3.491 20 10 GGCDRN CN1CCc2ccc(NC(=O)NCc3ccc(N4CC=CC4)cc3)cc2C1=O ZINC000136461568 1417318759 /nfs/dbraw/zinc/31/87/59/1417318759.db2.gz KNJKVEIQANLVJM-UHFFFAOYSA-N 0 0 376.460 3.013 20 10 GGCDRN O=C(NCC(=O)N(Cc1ccco1)Cc1ccccc1O)NC1CCCCC1 ZINC000136907147 1417353839 /nfs/dbraw/zinc/35/38/39/1417353839.db2.gz FGRNUCDTCPAWTJ-UHFFFAOYSA-N 0 0 385.464 3.146 20 10 GGCDRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1ccccc1O ZINC000136943764 1417356612 /nfs/dbraw/zinc/35/66/12/1417356612.db2.gz MHOBGCVOLZWWKR-GOSISDBHSA-N 0 0 386.517 3.211 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000136940904 1417356879 /nfs/dbraw/zinc/35/68/79/1417356879.db2.gz UAFLQNFZPVAMAI-MRXNPFEDSA-N 0 0 390.892 3.219 20 10 GGCDRN Cc1cc(O)c(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000136971806 1417359051 /nfs/dbraw/zinc/35/90/51/1417359051.db2.gz BFZZHFKODUOKLS-KRWDZBQOSA-N 0 0 377.282 3.430 20 10 GGCDRN Cc1cc(O)c(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1C ZINC000136971861 1417359125 /nfs/dbraw/zinc/35/91/25/1417359125.db2.gz BFZZHFKODUOKLS-QGZVFWFLSA-N 0 0 377.282 3.430 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000136979958 1417359316 /nfs/dbraw/zinc/35/93/16/1417359316.db2.gz BONKRADUUBHQAR-UHFFFAOYSA-N 0 0 385.855 3.138 20 10 GGCDRN Cc1cc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c(C)n1-c1cccc(Cl)c1 ZINC000137222911 1417376062 /nfs/dbraw/zinc/37/60/62/1417376062.db2.gz NMTOJGUBVZQKBW-KBXCAEBGSA-N 0 0 376.884 3.359 20 10 GGCDRN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000137257294 1417377863 /nfs/dbraw/zinc/37/78/63/1417377863.db2.gz QQUHQSCFEACNMQ-PMACEKPBSA-N 0 0 389.540 3.258 20 10 GGCDRN C[C@@H](NC(=O)N[C@@H](CCO)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000137472208 1417387917 /nfs/dbraw/zinc/38/79/17/1417387917.db2.gz ZOKCOWCWNWYNKO-UTKZUKDTSA-N 0 0 389.540 3.215 20 10 GGCDRN C[C@H](NC(=O)N[C@H](CCO)C1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000137472278 1417387998 /nfs/dbraw/zinc/38/79/98/1417387998.db2.gz ZOKCOWCWNWYNKO-LAUBAEHRSA-N 0 0 389.540 3.215 20 10 GGCDRN CCS[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000137990653 1417399370 /nfs/dbraw/zinc/39/93/70/1417399370.db2.gz DDVQLFVMPDUNPE-GFCCVEGCSA-N 0 0 395.504 3.430 20 10 GGCDRN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000137994330 1417400236 /nfs/dbraw/zinc/40/02/36/1417400236.db2.gz GFDPOBVZKWZTCX-ORAYPTAESA-N 0 0 377.435 3.342 20 10 GGCDRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000137994135 1417400701 /nfs/dbraw/zinc/40/07/01/1417400701.db2.gz GFDPOBVZKWZTCX-DJJJIMSYSA-N 0 0 377.435 3.342 20 10 GGCDRN Fc1cc(C[NH2+]Cc2ccsc2)ccc1N1CCN(c2ncccn2)CC1 ZINC000139818144 1417476041 /nfs/dbraw/zinc/47/60/41/1417476041.db2.gz RXKANSBINFSEEZ-UHFFFAOYSA-N 0 0 383.496 3.294 20 10 GGCDRN Fc1cccc(C[NH2+]Cc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)c1 ZINC000139821137 1417476121 /nfs/dbraw/zinc/47/61/21/1417476121.db2.gz IZSKGEDUDYGARL-UHFFFAOYSA-N 0 0 395.457 3.371 20 10 GGCDRN C[C@H](NC(=O)N(C)C1Cc2ccccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000139931820 1417481017 /nfs/dbraw/zinc/48/10/17/1417481017.db2.gz DNQMVGQCSTWASM-KRWDZBQOSA-N 0 0 379.504 3.393 20 10 GGCDRN COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000140301017 1417498403 /nfs/dbraw/zinc/49/84/03/1417498403.db2.gz FHWMVTIRURCWMT-CQSZACIVSA-N 0 0 388.464 3.035 20 10 GGCDRN COc1ccc(N(C)CC(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000140327486 1417499501 /nfs/dbraw/zinc/49/95/01/1417499501.db2.gz RYWABZGZAXWQMK-UHFFFAOYSA-N 0 0 398.381 3.355 20 10 GGCDRN C[C@@H](Nc1cc(C(F)(F)F)nc2ncnn21)c1ccc(N2CCOCC2)cc1 ZINC000140402247 1417501806 /nfs/dbraw/zinc/50/18/06/1417501806.db2.gz RHPIOFGRTDBLQN-GFCCVEGCSA-N 0 0 392.385 3.153 20 10 GGCDRN CO[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000140925649 1417520683 /nfs/dbraw/zinc/52/06/83/1417520683.db2.gz BFXICPVHVPMFQL-UWJYYQICSA-N 0 0 383.492 3.271 20 10 GGCDRN C[C@H](COc1ccccc1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140934012 1417521254 /nfs/dbraw/zinc/52/12/54/1417521254.db2.gz ZPXHOCGRXBZEHJ-QZTJIDSGSA-N 0 0 383.492 3.351 20 10 GGCDRN CCC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)c1 ZINC000178843454 1429192021 /nfs/dbraw/zinc/19/20/21/1429192021.db2.gz IYIBCSJCBQVVNB-UHFFFAOYSA-N 0 0 381.476 3.380 20 10 GGCDRN CCO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000141872539 1417561938 /nfs/dbraw/zinc/56/19/38/1417561938.db2.gz FAQWLGRUFOOWMI-OAQYLSRUSA-N 0 0 386.467 3.181 20 10 GGCDRN CCC(=O)Nc1ccc(S(=O)(=O)N(CC)Cc2ccc(N(C)C)cc2)cc1 ZINC000145258044 1417683518 /nfs/dbraw/zinc/68/35/18/1417683518.db2.gz UZPUANPBHUWBBW-UHFFFAOYSA-N 0 0 389.521 3.312 20 10 GGCDRN C[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000145486648 1417689917 /nfs/dbraw/zinc/68/99/17/1417689917.db2.gz GKGVETUSQDRXLN-KRWDZBQOSA-N 0 0 380.488 3.268 20 10 GGCDRN C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000145575242 1417691993 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C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)Cc1cccnc1 ZINC000156181817 1423710432 /nfs/dbraw/zinc/71/04/32/1423710432.db2.gz JVYRCPUINFHNEM-OAHLLOKOSA-N 0 0 399.450 3.316 20 10 GGCDRN CC(C)[C@H](O)C(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000156207597 1423725485 /nfs/dbraw/zinc/72/54/85/1423725485.db2.gz VXRCHSSRMUPMTQ-SFHVURJKSA-N 0 0 379.570 3.082 20 10 GGCDRN COc1ccc(Br)c(CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000156245218 1423740667 /nfs/dbraw/zinc/74/06/67/1423740667.db2.gz GTSHMRMVOYIJLL-UHFFFAOYSA-N 0 0 377.282 3.383 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000156332540 1423784049 /nfs/dbraw/zinc/78/40/49/1423784049.db2.gz SMXFMXBXUNCAJL-RBUKOAKNSA-N 0 0 384.520 3.316 20 10 GGCDRN CCS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000156392694 1423804459 /nfs/dbraw/zinc/80/44/59/1423804459.db2.gz MSQIQOHRJULXFG-UHFFFAOYSA-N 0 0 388.533 3.137 20 10 GGCDRN O=C(Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1)c1ccsc1 ZINC000156595082 1423833966 /nfs/dbraw/zinc/83/39/66/1423833966.db2.gz DZZKATVVFRHMPJ-UHFFFAOYSA-N 0 0 382.441 3.384 20 10 GGCDRN CC(=O)CCCCCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000156623554 1423837520 /nfs/dbraw/zinc/83/75/20/1423837520.db2.gz CPWWGHOVMGIVKV-UHFFFAOYSA-N 0 0 378.488 3.333 20 10 GGCDRN COc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826193634 1429676487 /nfs/dbraw/zinc/67/64/87/1429676487.db2.gz JNZUVFLKPAUWOB-UHFFFAOYSA-N 0 0 378.480 3.106 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000156700554 1423850533 /nfs/dbraw/zinc/85/05/33/1423850533.db2.gz NOULACLXBWSVSJ-UHFFFAOYSA-N 0 0 399.397 3.023 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000156759979 1423860096 /nfs/dbraw/zinc/86/00/96/1423860096.db2.gz FASICPMOOILPJJ-UHFFFAOYSA-N 0 0 399.466 3.244 20 10 GGCDRN CC(=O)N1CC[C@H](CN(C)CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000156771884 1423862277 /nfs/dbraw/zinc/86/22/77/1423862277.db2.gz YDFQLADKRFBFIX-HXUWFJFHSA-N 0 0 381.520 3.385 20 10 GGCDRN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000156968915 1423894478 /nfs/dbraw/zinc/89/44/78/1423894478.db2.gz XUWWEJYMSWVRGV-ZDUSSCGKSA-N 0 0 389.471 3.202 20 10 GGCDRN O=C(c1cccc(F)c1)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000179996932 1429680872 /nfs/dbraw/zinc/68/08/72/1429680872.db2.gz POSKUOWLKQOUGA-UHFFFAOYSA-N 0 0 393.256 3.252 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000157339729 1423988917 /nfs/dbraw/zinc/98/89/17/1423988917.db2.gz BUMQTWSWONZVLQ-UHFFFAOYSA-N 0 0 384.455 3.084 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000157441726 1424011839 /nfs/dbraw/zinc/01/18/39/1424011839.db2.gz GTUKBMLRPWYYFP-UHFFFAOYSA-N 0 0 389.377 3.337 20 10 GGCDRN CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000157454738 1424014796 /nfs/dbraw/zinc/01/47/96/1424014796.db2.gz BAMSQEZFAWIIFE-UHFFFAOYSA-N 0 0 379.460 3.025 20 10 GGCDRN CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000157461547 1424016036 /nfs/dbraw/zinc/01/60/36/1424016036.db2.gz SSWFUNKTLWIZLD-UHFFFAOYSA-N 0 0 379.460 3.105 20 10 GGCDRN CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(F)c1 ZINC000157464496 1424016865 /nfs/dbraw/zinc/01/68/65/1424016865.db2.gz MQOVOOXJYYBMPM-UHFFFAOYSA-N 0 0 397.450 3.244 20 10 GGCDRN CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)c1 ZINC000157476725 1424019103 /nfs/dbraw/zinc/01/91/03/1424019103.db2.gz UDEDKNWQLMGGSJ-UHFFFAOYSA-N 0 0 379.460 3.025 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000157482850 1424020391 /nfs/dbraw/zinc/02/03/91/1424020391.db2.gz CXNSGEIPWKWFCS-KZULUSFZSA-N 0 0 382.382 3.471 20 10 GGCDRN Cc1coc(-c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)n1 ZINC000157539666 1424033010 /nfs/dbraw/zinc/03/30/10/1424033010.db2.gz LKSVVZLCKYATQK-UHFFFAOYSA-N 0 0 392.459 3.279 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cn2c(CSC)nc3ccccc32)c1 ZINC000157818866 1424095742 /nfs/dbraw/zinc/09/57/42/1424095742.db2.gz YNKDUBPTEWCPCY-ZDUSSCGKSA-N 0 0 385.489 3.491 20 10 GGCDRN CCCC(O)(CCC)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000157826184 1424097140 /nfs/dbraw/zinc/09/71/40/1424097140.db2.gz ZDDYMENNZYULJQ-QGZVFWFLSA-N 0 0 377.529 3.215 20 10 GGCDRN Cc1ccc(OCCC(=O)NCCc2ccc(O)c(O)c2)c(Br)c1 ZINC000157944522 1424125980 /nfs/dbraw/zinc/12/59/80/1424125980.db2.gz DMRGTVZIMNSCSZ-UHFFFAOYSA-N 0 0 394.265 3.297 20 10 GGCDRN O=S(=O)(c1c(F)cccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158122887 1424171975 /nfs/dbraw/zinc/17/19/75/1424171975.db2.gz FMYWXGBWUWFVSI-CQSZACIVSA-N 0 0 383.416 3.040 20 10 GGCDRN Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000158120704 1424172343 /nfs/dbraw/zinc/17/23/43/1424172343.db2.gz YSKMRUTZURXBBI-QGZVFWFLSA-N 0 0 379.453 3.210 20 10 GGCDRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(F)c1 ZINC000158126237 1424173775 /nfs/dbraw/zinc/17/37/75/1424173775.db2.gz STBDFVWOKVKSDO-INIZCTEOSA-N 0 0 379.453 3.210 20 10 GGCDRN Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1F ZINC000158126554 1424173981 /nfs/dbraw/zinc/17/39/81/1424173981.db2.gz CHDQTMXVEYJYJI-INIZCTEOSA-N 0 0 379.453 3.210 20 10 GGCDRN Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1 ZINC000158126355 1424174059 /nfs/dbraw/zinc/17/40/59/1424174059.db2.gz STBDFVWOKVKSDO-MRXNPFEDSA-N 0 0 379.453 3.210 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NCCc3nnc(-c4ccccc4)o3)ccc21 ZINC000158204408 1424194823 /nfs/dbraw/zinc/19/48/23/1424194823.db2.gz DPBPDLXIYVNENQ-UHFFFAOYSA-N 0 0 391.475 3.161 20 10 GGCDRN CCCC(O)(CCC)CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000158632408 1424305329 /nfs/dbraw/zinc/30/53/29/1424305329.db2.gz BIMQBWMWCGHXGT-UHFFFAOYSA-N 0 0 377.529 3.295 20 10 GGCDRN CCc1n[nH]c(=O)c(CNC(=O)c2sccc2-n2c(C)ccc2C)c1CC ZINC000158815299 1424349401 /nfs/dbraw/zinc/34/94/01/1424349401.db2.gz WWPGLZDBEKUCLX-UHFFFAOYSA-N 0 0 384.505 3.294 20 10 GGCDRN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000158983566 1424387940 /nfs/dbraw/zinc/38/79/40/1424387940.db2.gz HHVFCKVLAQIFRW-UHFFFAOYSA-N 0 0 385.851 3.413 20 10 GGCDRN CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(F)cc1F ZINC000159176937 1424435589 /nfs/dbraw/zinc/43/55/89/1424435589.db2.gz XZPCNJDOPBIUSI-FQEVSTJZSA-N 0 0 389.446 3.257 20 10 GGCDRN CCCNC(=O)Nc1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000159296278 1424477119 /nfs/dbraw/zinc/47/71/19/1424477119.db2.gz ZCUUQLJMPIENEY-UHFFFAOYSA-N 0 0 382.508 3.485 20 10 GGCDRN O=C(CCc1ccc(F)cc1F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000159370045 1424497244 /nfs/dbraw/zinc/49/72/44/1424497244.db2.gz XUHOXWAEXBSFQC-UHFFFAOYSA-N 0 0 378.394 3.190 20 10 GGCDRN COc1cc(O)c(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000159490631 1424506921 /nfs/dbraw/zinc/50/69/21/1424506921.db2.gz BIGQCYBVYVYLTF-UHFFFAOYSA-N 0 0 376.884 3.381 20 10 GGCDRN COc1cc(CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(O)cc1C ZINC000159499383 1424508243 /nfs/dbraw/zinc/50/82/43/1424508243.db2.gz LWKMFQYAWOEGQL-UHFFFAOYSA-N 0 0 397.519 3.082 20 10 GGCDRN O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)cc1 ZINC000159594074 1424516700 /nfs/dbraw/zinc/51/67/00/1424516700.db2.gz BUYYUJTXBZQMIW-UHFFFAOYSA-N 0 0 394.924 3.027 20 10 GGCDRN O=C(NCCc1nnc(-c2ccccc2)o1)NCc1c(O)ccc2c1CCCC2 ZINC000159857697 1424544224 /nfs/dbraw/zinc/54/42/24/1424544224.db2.gz ZRVHQVXCWJTOPH-UHFFFAOYSA-N 0 0 392.459 3.363 20 10 GGCDRN COc1cc(N(C)Cc2nccn2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000160130415 1424577907 /nfs/dbraw/zinc/57/79/07/1424577907.db2.gz QGIXJWUINNJSHC-UHFFFAOYSA-N 0 0 382.420 3.493 20 10 GGCDRN COc1cc(O)c(CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1OC ZINC000160175934 1424584337 /nfs/dbraw/zinc/58/43/37/1424584337.db2.gz JSJONVPBBCSUOS-MRXNPFEDSA-N 0 0 390.867 3.300 20 10 GGCDRN CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(Br)c1[O-] ZINC000160234249 1424588848 /nfs/dbraw/zinc/58/88/48/1424588848.db2.gz VXPXEKBTYZGFHZ-UHFFFAOYSA-N 0 0 395.272 3.432 20 10 GGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000160274943 1424592167 /nfs/dbraw/zinc/59/21/67/1424592167.db2.gz PRFVPILUIAOYCB-SKAIHHOBSA-N 0 0 386.477 3.085 20 10 GGCDRN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N)cc1)C2=O ZINC000160365729 1424598264 /nfs/dbraw/zinc/59/82/64/1424598264.db2.gz GWRXPBHQTYYGAG-UHFFFAOYSA-N 0 0 386.496 3.124 20 10 GGCDRN COc1cc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c(O)cc1C ZINC000160384503 1424600297 /nfs/dbraw/zinc/60/02/97/1424600297.db2.gz DGCOXHKQBCKMIE-QGZVFWFLSA-N 0 0 393.480 3.038 20 10 GGCDRN Cc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1CCC(C)C ZINC000160435740 1424603769 /nfs/dbraw/zinc/60/37/69/1424603769.db2.gz QDOBFQJLTMPFOD-UHFFFAOYSA-N 0 0 398.551 3.376 20 10 GGCDRN Cc1nn(C)c(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000160436686 1424603854 /nfs/dbraw/zinc/60/38/54/1424603854.db2.gz QHWPHIGBUQWPAR-UHFFFAOYSA-N 0 0 398.429 3.073 20 10 GGCDRN COc1cc(CN(C)c2ccc(C(=O)N3CCOCC3)cc2C)c(O)cc1C ZINC000160492903 1424608325 /nfs/dbraw/zinc/60/83/25/1424608325.db2.gz MBJXMIYPCFLDJD-UHFFFAOYSA-N 0 0 384.476 3.126 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160540280 1424612445 /nfs/dbraw/zinc/61/24/45/1424612445.db2.gz KQFMIJMXZHEZJG-UHFFFAOYSA-N 0 0 375.425 3.217 20 10 GGCDRN CC(C)CCn1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000160661744 1424624572 /nfs/dbraw/zinc/62/45/72/1424624572.db2.gz NJEGOENVEQVOAI-UHFFFAOYSA-N 0 0 385.512 3.430 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3c(C)onc3-c3ccccn3)CC2)cc1 ZINC000160825942 1424637055 /nfs/dbraw/zinc/63/70/55/1424637055.db2.gz ZSKUJKLWPYFYAZ-UHFFFAOYSA-N 0 0 392.459 3.452 20 10 GGCDRN CCc1nn(C)c(Cl)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000160937053 1424645947 /nfs/dbraw/zinc/64/59/47/1424645947.db2.gz DJITYZBLENZVCD-UHFFFAOYSA-N 0 0 378.929 3.119 20 10 GGCDRN CC(C)NC(=O)c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000160937208 1424646097 /nfs/dbraw/zinc/64/60/97/1424646097.db2.gz FCHUMBOGGAPBRB-UHFFFAOYSA-N 0 0 397.544 3.308 20 10 GGCDRN CC(C)(C)C(=O)Cn1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)nn1 ZINC000160945303 1424647049 /nfs/dbraw/zinc/64/70/49/1424647049.db2.gz LZNURAKQXMYKHF-UHFFFAOYSA-N 0 0 396.447 3.035 20 10 GGCDRN C[C@@H](CC(=O)c1cccs1)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 ZINC000160990779 1424650433 /nfs/dbraw/zinc/65/04/33/1424650433.db2.gz VVEWQNPYCGFMRC-FSNWXROXSA-N 0 0 384.501 3.376 20 10 GGCDRN C[C@H](CC(=O)c1cccs1)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 ZINC000160990897 1424650577 /nfs/dbraw/zinc/65/05/77/1424650577.db2.gz VVEWQNPYCGFMRC-YXMGTMDOSA-N 0 0 384.501 3.376 20 10 GGCDRN O=C(CNc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161054670 1424654970 /nfs/dbraw/zinc/65/49/70/1424654970.db2.gz IXOJTWZZBXBZOO-UHFFFAOYSA-N 0 0 377.847 3.044 20 10 GGCDRN O=C(CNc1cccc2c1CCCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161070205 1424655863 /nfs/dbraw/zinc/65/58/63/1424655863.db2.gz ZOMVIAIAKLETIQ-UHFFFAOYSA-N 0 0 397.494 3.269 20 10 GGCDRN COc1cccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1O ZINC000161098472 1424657808 /nfs/dbraw/zinc/65/78/08/1424657808.db2.gz SIYMCAAQIBSLNI-UHFFFAOYSA-N 0 0 376.261 3.327 20 10 GGCDRN COc1cccc(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c1O ZINC000161098750 1424658867 /nfs/dbraw/zinc/65/88/67/1424658867.db2.gz SINACQBBYWYUJT-UHFFFAOYSA-N 0 0 376.261 3.327 20 10 GGCDRN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000161119869 1424659759 /nfs/dbraw/zinc/65/97/59/1424659759.db2.gz KMPKIENRLYVOCP-BWPNAZKDSA-N 0 0 386.492 3.040 20 10 GGCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2sccc2Br)c1 ZINC000161157275 1424662418 /nfs/dbraw/zinc/66/24/18/1424662418.db2.gz OZLJMWBTINTDRK-QMMMGPOBSA-N 0 0 392.296 3.264 20 10 GGCDRN CCCCN1CCc2ccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)cc21 ZINC000161154187 1424662670 /nfs/dbraw/zinc/66/26/70/1424662670.db2.gz HVTMAZIUILLUBK-UHFFFAOYSA-N 0 0 394.519 3.170 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000161156328 1424662758 /nfs/dbraw/zinc/66/27/58/1424662758.db2.gz WRDONIBDRNLAPN-SNVBAGLBSA-N 0 0 375.368 3.459 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000161167020 1424663343 /nfs/dbraw/zinc/66/33/43/1424663343.db2.gz PBYKXKUJRAXLHM-SNVBAGLBSA-N 0 0 386.267 3.203 20 10 GGCDRN 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1430142751 /nfs/dbraw/zinc/14/27/51/1430142751.db2.gz BCGRAHISWMVXEE-GOSISDBHSA-N 0 0 388.471 3.304 20 10 GGCDRN COc1cccc([C@@H](C)N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000181042932 1430182299 /nfs/dbraw/zinc/18/22/99/1430182299.db2.gz MUIDHHBKSNGYCI-MNDMWVCDSA-N 0 0 382.460 3.025 20 10 GGCDRN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)/C=C/c2ccc(O)c(O)c2)o1 ZINC000181106232 1430212434 /nfs/dbraw/zinc/21/24/34/1430212434.db2.gz LGMHWUICLILYJE-UGAXZCSASA-N 0 0 377.400 3.129 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)N(C)c1nc2ccccc2s1 ZINC000181120143 1430217275 /nfs/dbraw/zinc/21/72/75/1430217275.db2.gz CNYLQSGEEGAZHX-UHFFFAOYSA-N 0 0 382.489 3.224 20 10 GGCDRN C[S@](=O)c1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1F ZINC000181139236 1430223876 /nfs/dbraw/zinc/22/38/76/1430223876.db2.gz YHIIFHIBRBINPI-GBXVGPNWSA-N 0 0 388.464 3.052 20 10 GGCDRN CCN(CC)C(=O)CCC1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000181238369 1430254465 /nfs/dbraw/zinc/25/44/65/1430254465.db2.gz FXCHINGWZHGAPO-UHFFFAOYSA-N 0 0 388.556 3.323 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CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000181704426 1430344368 /nfs/dbraw/zinc/34/43/68/1430344368.db2.gz YZBCVFMXJPIOOX-UHFFFAOYSA-N 0 0 391.475 3.130 20 10 GGCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000181737292 1430350273 /nfs/dbraw/zinc/35/02/73/1430350273.db2.gz MCSNYGTUHHWVSU-QGZVFWFLSA-N 0 0 396.896 3.137 20 10 GGCDRN COc1ccc(CCc2nnc(NCc3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000181759344 1430353988 /nfs/dbraw/zinc/35/39/88/1430353988.db2.gz OAWJYHBWSFYEDE-UHFFFAOYSA-N 0 0 394.475 3.312 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)cc1 ZINC000181833445 1430369557 /nfs/dbraw/zinc/36/95/57/1430369557.db2.gz KJTOKWWTPSQXQN-SFHVURJKSA-N 0 0 375.513 3.263 20 10 GGCDRN CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C(C)(C)O1 ZINC000181844607 1430371351 /nfs/dbraw/zinc/37/13/51/1430371351.db2.gz QJXGMYONOJXXBN-LJQANCHMSA-N 0 0 389.540 3.041 20 10 GGCDRN COCc1nnc(-c2cccc(C(=O)NCc3c(O)ccc4c3CCCC4)c2)o1 ZINC000182067580 1430405272 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C[C@@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccs1 ZINC000183124557 1430621144 /nfs/dbraw/zinc/62/11/44/1430621144.db2.gz JKHKLOVISQTXDE-AWEZNQCLSA-N 0 0 376.551 3.299 20 10 GGCDRN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H](C)CO1 ZINC000183125290 1430621335 /nfs/dbraw/zinc/62/13/35/1430621335.db2.gz BLBJAANMDHNTNE-RRFJBIMHSA-N 0 0 383.439 3.076 20 10 GGCDRN C[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccs1 ZINC000183124575 1430621343 /nfs/dbraw/zinc/62/13/43/1430621343.db2.gz JKHKLOVISQTXDE-CQSZACIVSA-N 0 0 376.551 3.299 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2c[nH]nc2-c2ccc(OC)cc2)cc1 ZINC000183226867 1430653102 /nfs/dbraw/zinc/65/31/02/1430653102.db2.gz AENGRQIGMSIDSI-UHFFFAOYSA-N 0 0 381.432 3.274 20 10 GGCDRN Cc1cc(C(=O)NCc2ccc(N3CCOC3=O)cc2)c(C)n1-c1ccccn1 ZINC000183260875 1430662563 /nfs/dbraw/zinc/66/25/63/1430662563.db2.gz ZYXXEIASUKBAFR-UHFFFAOYSA-N 0 0 390.443 3.376 20 10 GGCDRN COCc1nnc(-c2cccc(C(=O)NCc3ccc(N(C)C)c(F)c3)c2)o1 ZINC000183403052 1430702596 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10 GGCDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC000183457696 1430716472 /nfs/dbraw/zinc/71/64/72/1430716472.db2.gz JVRIACHURMIHLH-LPHOPBHVSA-N 0 0 396.487 3.006 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)CSc2nnc3ccccn32)cc1F ZINC000183463823 1430718081 /nfs/dbraw/zinc/71/80/81/1430718081.db2.gz WWTZEUJBDQJTSY-UHFFFAOYSA-N 0 0 387.484 3.123 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000183466000 1430718343 /nfs/dbraw/zinc/71/83/43/1430718343.db2.gz SYJJYBUQFOJWOX-CQSZACIVSA-N 0 0 381.432 3.218 20 10 GGCDRN CC(C)c1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1F ZINC000183469991 1430719695 /nfs/dbraw/zinc/71/96/95/1430719695.db2.gz FDWDMJALWWPWNG-ZDUSSCGKSA-N 0 0 398.438 3.302 20 10 GGCDRN Cc1ccc2nc(CSCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC000183474817 1430720758 /nfs/dbraw/zinc/72/07/58/1430720758.db2.gz RPADBGLJGSFLTA-AWEZNQCLSA-N 0 0 385.489 3.035 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000183476657 1430721704 /nfs/dbraw/zinc/72/17/04/1430721704.db2.gz MFAHLKBZAMNXKI-OAHLLOKOSA-N 0 0 378.428 3.433 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC000183488162 1430725407 /nfs/dbraw/zinc/72/54/07/1430725407.db2.gz ZJGPQWJFILXYMT-CQSZACIVSA-N 0 0 394.427 3.328 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000183509229 1430731143 /nfs/dbraw/zinc/73/11/43/1430731143.db2.gz FEZROCDKJKJBPB-JOCHJYFZSA-N 0 0 379.504 3.440 20 10 GGCDRN C[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccn1 ZINC000183617560 1430755842 /nfs/dbraw/zinc/75/58/42/1430755842.db2.gz RKTHMPGEKNEJSR-AWEZNQCLSA-N 0 0 385.423 3.146 20 10 GGCDRN CC(=O)c1cc(F)cc(CN2CCN(C(=O)Nc3ccc(C)cc3)CC2)c1O ZINC000183618901 1430756291 /nfs/dbraw/zinc/75/62/91/1430756291.db2.gz QZVLCNKQDOOQDY-UHFFFAOYSA-N 0 0 385.439 3.392 20 10 GGCDRN COc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)cc(OC)c1OC ZINC000183698516 1430775931 /nfs/dbraw/zinc/77/59/31/1430775931.db2.gz SVPNPTSDUPCBLT-UHFFFAOYSA-N 0 0 377.872 3.083 20 10 GGCDRN COc1cc(N2CCN(Cc3cccnc3Cl)CC2)cc(OC)c1OC ZINC000183700640 1430776727 /nfs/dbraw/zinc/77/67/27/1430776727.db2.gz UVMLJWDHVYCVQO-UHFFFAOYSA-N 0 0 377.872 3.083 20 10 GGCDRN COc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000183704594 1430777458 /nfs/dbraw/zinc/77/74/58/1430777458.db2.gz JAQACWPDGMNONF-UHFFFAOYSA-N 0 0 378.419 3.313 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2cccc3ccccc32)cc1 ZINC000183793487 1430795148 /nfs/dbraw/zinc/79/51/48/1430795148.db2.gz FXCJTKNRODCVJH-UHFFFAOYSA-N 0 0 378.428 3.467 20 10 GGCDRN COC(=O)C1=NOC2(C1)CCN(C(=O)c1cc(C)n(-c3ccccc3)c1C)CC2 ZINC000183822474 1430801189 /nfs/dbraw/zinc/80/11/89/1430801189.db2.gz QJDRYENTRVAMDL-UHFFFAOYSA-N 0 0 395.459 3.018 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(Cl)n1 ZINC000183864929 1430806553 /nfs/dbraw/zinc/80/65/53/1430806553.db2.gz WPFYPYCGROMYED-UHFFFAOYSA-N 0 0 378.835 3.157 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NC[C@H](C)c3nc(C)cs3)CC2)cc1 ZINC000183930459 1430814475 /nfs/dbraw/zinc/81/44/75/1430814475.db2.gz AURNDVDHMYAYKM-HNNXBMFYSA-N 0 0 388.537 3.486 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc2c(c1)nnn2C ZINC000184041585 1430833259 /nfs/dbraw/zinc/83/32/59/1430833259.db2.gz RGFZJVDJMVCXCV-OAHLLOKOSA-N 0 0 387.443 3.473 20 10 GGCDRN C[C@@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)N1CCN(C)CC1 ZINC000184041521 1430833305 /nfs/dbraw/zinc/83/33/05/1430833305.db2.gz IGTWWECBDZTMLS-OALUTQOASA-N 0 0 381.520 3.118 20 10 GGCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c(C)n1-c1ccccn1 ZINC000184073305 1430837520 /nfs/dbraw/zinc/83/75/20/1430837520.db2.gz XXFWHZADUNZDCY-MJGOQNOKSA-N 0 0 381.476 3.089 20 10 GGCDRN COc1ccc(N2CCCN(S(=O)(=O)Cc3ccc(C)c(F)c3)CC2)cc1 ZINC000184084204 1430839050 /nfs/dbraw/zinc/83/90/50/1430839050.db2.gz OTHBTCGCQMVXDO-UHFFFAOYSA-N 0 0 392.496 3.185 20 10 GGCDRN COc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])cc1F ZINC000184230784 1430859631 /nfs/dbraw/zinc/85/96/31/1430859631.db2.gz JHOLOMCEKBJEJU-UHFFFAOYSA-N 0 0 389.427 3.211 20 10 GGCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)CC1 ZINC000184256832 1430863204 /nfs/dbraw/zinc/86/32/04/1430863204.db2.gz NCSDWSGVOLQPIN-UHFFFAOYSA-N 0 0 375.476 3.267 20 10 GGCDRN COc1ccc(N2CCC(NS(=O)(=O)c3c(C)cccc3F)CC2)cc1 ZINC000184309306 1430871752 /nfs/dbraw/zinc/87/17/52/1430871752.db2.gz XQMAFCYRRXCMAU-UHFFFAOYSA-N 0 0 378.469 3.090 20 10 GGCDRN C[C@H](c1nccs1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000184443193 1430888509 /nfs/dbraw/zinc/88/85/09/1430888509.db2.gz WMCPZVNIMBSJTR-QGZVFWFLSA-N 0 0 399.564 3.332 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H](C)c3ncc(C)s3)CC2)cc1 ZINC000184471041 1430891429 /nfs/dbraw/zinc/89/14/29/1430891429.db2.gz VBWKKGZKZFXMLL-OAHLLOKOSA-N 0 0 388.537 3.486 20 10 GGCDRN Cc1cnc([C@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000184496609 1430895013 /nfs/dbraw/zinc/89/50/13/1430895013.db2.gz GCQIBHTUWUQKOH-OAHLLOKOSA-N 0 0 388.537 3.233 20 10 GGCDRN Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)c(C)n1-c1ccc(F)cc1 ZINC000184562198 1430905521 /nfs/dbraw/zinc/90/55/21/1430905521.db2.gz PJWIIFVNXDSGLD-UHFFFAOYSA-N 0 0 394.450 3.065 20 10 GGCDRN COc1cc(Cl)cc(CNc2cc(-c3ccoc3C)nn2CCO)c1O ZINC000184711371 1430949209 /nfs/dbraw/zinc/94/92/09/1430949209.db2.gz WNIQWLFDMBXWSM-UHFFFAOYSA-N 0 0 377.828 3.424 20 10 GGCDRN COc1cc(N2CCN(Cc3cc(F)c(F)cc3F)CC2)cc(OC)c1OC ZINC000184754099 1430966705 /nfs/dbraw/zinc/96/67/05/1430966705.db2.gz FVAZLYFNYITPBJ-UHFFFAOYSA-N 0 0 396.409 3.452 20 10 GGCDRN COc1cc(N2CCN(Cc3cc(F)c(F)c(F)c3)CC2)cc(OC)c1OC ZINC000184753906 1430966837 /nfs/dbraw/zinc/96/68/37/1430966837.db2.gz HFHMGAFUOMPIIV-UHFFFAOYSA-N 0 0 396.409 3.452 20 10 GGCDRN Cc1coc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc12 ZINC000184953600 1431029683 /nfs/dbraw/zinc/02/96/83/1431029683.db2.gz MHJOOZYJXUSNTR-UHFFFAOYSA-N 0 0 375.475 3.435 20 10 GGCDRN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)cc1 ZINC000184961859 1431031632 /nfs/dbraw/zinc/03/16/32/1431031632.db2.gz RGIKXFALYCEZBF-HNNXBMFYSA-N 0 0 392.496 3.344 20 10 GGCDRN O=C(NCCCSc1nccs1)N1CCC(O)(c2ccccc2)CC1 ZINC000185071812 1431054250 /nfs/dbraw/zinc/05/42/50/1431054250.db2.gz ILMKSLKBXODSHG-UHFFFAOYSA-N 0 0 377.535 3.319 20 10 GGCDRN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185135926 1431069626 /nfs/dbraw/zinc/06/96/26/1431069626.db2.gz JRSGHDHJZGIYAF-CQSZACIVSA-N 0 0 380.485 3.210 20 10 GGCDRN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)c4ccccc4C3)c2c1 ZINC000185205618 1431084629 /nfs/dbraw/zinc/08/46/29/1431084629.db2.gz RQLMCPZFJCDHTG-UHFFFAOYSA-N 0 0 383.469 3.344 20 10 GGCDRN Cc1cc(C(=O)NCCCCCS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000185226827 1431089273 /nfs/dbraw/zinc/08/92/73/1431089273.db2.gz CEDZLUVJCICUEC-UHFFFAOYSA-N 0 0 376.522 3.347 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000185387378 1431133035 /nfs/dbraw/zinc/13/30/35/1431133035.db2.gz RXWWUUFZNSPHRO-GFCCVEGCSA-N 0 0 375.856 3.107 20 10 GGCDRN COc1cc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc(OC)c1OC ZINC000185478225 1431154257 /nfs/dbraw/zinc/15/42/57/1431154257.db2.gz IYSPUDCEAPVEBY-MDZDMXLPSA-N 0 0 382.460 3.074 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc(OC)c1OC ZINC000185493488 1431157454 /nfs/dbraw/zinc/15/74/54/1431157454.db2.gz PPSUNEINEHCXOP-UHFFFAOYSA-N 0 0 396.487 3.164 20 10 GGCDRN COc1cc(N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000185510066 1431161359 /nfs/dbraw/zinc/16/13/59/1431161359.db2.gz OLMVIBQMNBGPTB-UHFFFAOYSA-N 0 0 398.503 3.221 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCSC2(CCOCC2)C1 ZINC000185589171 1431177712 /nfs/dbraw/zinc/17/77/12/1431177712.db2.gz QFPFZFPGXAVVNN-UHFFFAOYSA-N 0 0 375.538 3.094 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CCSC3(CCOCC3)C2)cc1 ZINC000185589533 1431177918 /nfs/dbraw/zinc/17/79/18/1431177918.db2.gz TWINNNAEDNVHQW-UHFFFAOYSA-N 0 0 377.554 3.340 20 10 GGCDRN COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000185610834 1431183606 /nfs/dbraw/zinc/18/36/06/1431183606.db2.gz VWSDUHSKJJLVSY-UHFFFAOYSA-N 0 0 399.516 3.282 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)cc1 ZINC000185650947 1431195656 /nfs/dbraw/zinc/19/56/56/1431195656.db2.gz YRRGJMCDYBLAPX-FQEVSTJZSA-N 0 0 381.455 3.214 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCC(O)(c2cccnc2)CC1 ZINC000185744069 1431221561 /nfs/dbraw/zinc/22/15/61/1431221561.db2.gz INUVNXIIHQMHDB-UHFFFAOYSA-N 0 0 395.503 3.296 20 10 GGCDRN Cc1cc(C(=O)N2CCN([C@H](C)c3nccs3)CC2)c(C)n1-c1ccccn1 ZINC000185767229 1431229425 /nfs/dbraw/zinc/22/94/25/1431229425.db2.gz JIPABAFKUCMLAM-QGZVFWFLSA-N 0 0 395.532 3.465 20 10 GGCDRN CCOC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000185907459 1431274174 /nfs/dbraw/zinc/27/41/74/1431274174.db2.gz TTXAYRHUQXXNKA-SFHVURJKSA-N 0 0 388.512 3.049 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc2cc(OC)ccc2n1C ZINC000185993990 1431306938 /nfs/dbraw/zinc/30/69/38/1431306938.db2.gz ICYZCDKQMGZBDA-UHFFFAOYSA-N 0 0 395.507 3.380 20 10 GGCDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000186055128 1431320931 /nfs/dbraw/zinc/32/09/31/1431320931.db2.gz HTVGAWTVRRIGEP-HNNXBMFYSA-N 0 0 392.496 3.176 20 10 GGCDRN CCc1c(C(=O)NCc2cccc(OC)c2O)cnn1-c1ccc(OC)cc1 ZINC000186176826 1431347097 /nfs/dbraw/zinc/34/70/97/1431347097.db2.gz YHQUCGBTZDHOGY-UHFFFAOYSA-N 0 0 381.432 3.088 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)c3ccnc(O[C@H]4CCOC4)c3)cc2)CC1 ZINC000186202310 1431351211 /nfs/dbraw/zinc/35/12/11/1431351211.db2.gz FFGCFUIZNAKRDK-NRFANRHFSA-N 0 0 395.503 3.416 20 10 GGCDRN Cc1cc(C(=O)CN2CCC(Cn3cncn3)CC2)c(C)n1-c1cccc(F)c1 ZINC000186247790 1431361965 /nfs/dbraw/zinc/36/19/65/1431361965.db2.gz GVBWQWWUUCTSKO-UHFFFAOYSA-N 0 0 395.482 3.420 20 10 GGCDRN CS(=O)(=O)CCCCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000186266935 1431366508 /nfs/dbraw/zinc/36/65/08/1431366508.db2.gz FZYAZNWXODIIBO-UHFFFAOYSA-N 0 0 396.553 3.451 20 10 GGCDRN CC(C)(O)[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000186329744 1431384399 /nfs/dbraw/zinc/38/43/99/1431384399.db2.gz FQCVXXVKHSNKJV-WMLDXEAASA-N 0 0 397.466 3.202 20 10 GGCDRN C[C@](O)(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000186346895 1431389010 /nfs/dbraw/zinc/38/90/10/1431389010.db2.gz PSYPKKRAPDPGDK-QFIPXVFZSA-N 0 0 399.560 3.337 20 10 GGCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(OC)cccc2OC)cc1 ZINC000186348451 1431389253 /nfs/dbraw/zinc/38/92/53/1431389253.db2.gz FXHZRKJDXOVJRM-UHFFFAOYSA-N 0 0 378.494 3.029 20 10 GGCDRN CC(C)c1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1cccc(F)c1 ZINC000186379165 1431396120 /nfs/dbraw/zinc/39/61/20/1431396120.db2.gz FCHNLHHTCHQQCI-ZDUSSCGKSA-N 0 0 398.438 3.302 20 10 GGCDRN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186378465 1431396207 /nfs/dbraw/zinc/39/62/07/1431396207.db2.gz ROBBCMRZYNHDJG-AWEZNQCLSA-N 0 0 381.432 3.043 20 10 GGCDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186387863 1431398304 /nfs/dbraw/zinc/39/83/04/1431398304.db2.gz MUSXXDOTJUQZJU-HNNXBMFYSA-N 0 0 384.476 3.073 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000186398815 1431401691 /nfs/dbraw/zinc/40/16/91/1431401691.db2.gz FHHLDBYQNSXTEJ-CQSZACIVSA-N 0 0 388.427 3.193 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000186406820 1431405378 /nfs/dbraw/zinc/40/53/78/1431405378.db2.gz BRFDDGVAKOCCDL-SECBINFHSA-N 0 0 384.310 3.386 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000186416301 1431410342 /nfs/dbraw/zinc/41/03/42/1431410342.db2.gz BWXSRCVUMLHCRU-LBPRGKRZSA-N 0 0 388.851 3.239 20 10 GGCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186416628 1431410455 /nfs/dbraw/zinc/41/04/55/1431410455.db2.gz IBBPAHRJLREQPG-MNOVXSKESA-N 0 0 399.413 3.324 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000186424151 1431414182 /nfs/dbraw/zinc/41/41/82/1431414182.db2.gz REOLHQRDQNVMJJ-CQSZACIVSA-N 0 0 390.439 3.456 20 10 GGCDRN CCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1OC ZINC000186426106 1431414752 /nfs/dbraw/zinc/41/47/52/1431414752.db2.gz IVXVRTXGBIZVBM-CQSZACIVSA-N 0 0 395.459 3.216 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000186429245 1431415897 /nfs/dbraw/zinc/41/58/97/1431415897.db2.gz XVGUFHAMIUQTIG-SECBINFHSA-N 0 0 377.491 3.196 20 10 GGCDRN CC(C)c1cc(NC(=O)NCc2ccc(N(C)C)cc2)n(-c2ncccn2)n1 ZINC000186485319 1431433670 /nfs/dbraw/zinc/43/36/70/1431433670.db2.gz SAKURQUEVUNLQF-UHFFFAOYSA-N 0 0 379.468 3.173 20 10 GGCDRN CCc1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccccc1OC ZINC000186604151 1431466472 /nfs/dbraw/zinc/46/64/72/1431466472.db2.gz QBNMCYSOGNWONN-UHFFFAOYSA-N 0 0 378.476 3.439 20 10 GGCDRN CN(c1ccc(CNC(=O)N2CCC[C@@]23CCOC3=O)cc1)C1CCCCC1 ZINC000186621081 1431471425 /nfs/dbraw/zinc/47/14/25/1431471425.db2.gz RLYPDIGNSIBRSJ-QFIPXVFZSA-N 0 0 385.508 3.447 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1F ZINC000186644395 1431478777 /nfs/dbraw/zinc/47/87/77/1431478777.db2.gz CXQULLQFDGIWQE-LJQANCHMSA-N 0 0 393.409 3.453 20 10 GGCDRN O=C(NCCC[C@H]1CCCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 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LGJJMNUVUBKMMS-UHFFFAOYSA-N 0 0 396.516 3.420 20 10 GGCDRN COc1ccc(N2CCCN(S(=O)(=O)c3ccccc3SC)CC2)cc1 ZINC000187010811 1431588798 /nfs/dbraw/zinc/58/87/98/1431588798.db2.gz MKWOGZISTULCJG-UHFFFAOYSA-N 0 0 392.546 3.318 20 10 GGCDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nccs1 ZINC000187030774 1431595425 /nfs/dbraw/zinc/59/54/25/1431595425.db2.gz DEUBPSSCRJXILG-HOCLYGCPSA-N 0 0 375.494 3.343 20 10 GGCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000187061529 1431602764 /nfs/dbraw/zinc/60/27/64/1431602764.db2.gz UXJRDJFUVJBYAT-OAHLLOKOSA-N 0 0 379.398 3.127 20 10 GGCDRN COc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1F ZINC000187062883 1431603476 /nfs/dbraw/zinc/60/34/76/1431603476.db2.gz RKZSLQHEBPZVFI-UHFFFAOYSA-N 0 0 391.418 3.256 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000187075112 1431606570 /nfs/dbraw/zinc/60/65/70/1431606570.db2.gz XLOVHWUEKQZMJJ-UHFFFAOYSA-N 0 0 388.512 3.119 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000187107003 1431617447 /nfs/dbraw/zinc/61/74/47/1431617447.db2.gz PDMRVZJFKZZMKK-LJQANCHMSA-N 0 0 375.419 3.314 20 10 GGCDRN CSc1cccc(C)c1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000187184002 1431639920 /nfs/dbraw/zinc/63/99/20/1431639920.db2.gz BWRJHSWXKNYFGQ-UHFFFAOYSA-N 0 0 381.501 3.348 20 10 GGCDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000187349195 1431705084 /nfs/dbraw/zinc/70/50/84/1431705084.db2.gz KWAVHWGNPGOOFC-UHFFFAOYSA-N 0 0 376.840 3.430 20 10 GGCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2)CC1 ZINC000187406920 1431721456 /nfs/dbraw/zinc/72/14/56/1431721456.db2.gz LOJIOWIULQPHGT-UHFFFAOYSA-N 0 0 379.382 3.204 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC([C@H]2CCCO2)CC1 ZINC000187408623 1431721720 /nfs/dbraw/zinc/72/17/20/1431721720.db2.gz NTKHALVFKFBTFG-HXUWFJFHSA-N 0 0 389.565 3.340 20 10 GGCDRN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000187501121 1431749861 /nfs/dbraw/zinc/74/98/61/1431749861.db2.gz OICLKJXCFXMTMO-UHFFFAOYSA-N 0 0 392.459 3.313 20 10 GGCDRN Cn1cc([C@H](NCc2ccc(N3CCOCC3)cc2)c2ccc(F)cc2)cn1 ZINC000187514146 1431753375 /nfs/dbraw/zinc/75/33/75/1431753375.db2.gz IUEMIPHBHIJXLN-JOCHJYFZSA-N 0 0 380.467 3.275 20 10 GGCDRN Cc1nn(C)c(-n2cccn2)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187537196 1431760484 /nfs/dbraw/zinc/76/04/84/1431760484.db2.gz SYFABAUZGZDZCO-UHFFFAOYSA-N 0 0 392.507 3.177 20 10 GGCDRN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187701084 1431801660 /nfs/dbraw/zinc/80/16/60/1431801660.db2.gz UOHHJIQCILMECN-ZDUSSCGKSA-N 0 0 398.475 3.349 20 10 GGCDRN COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3[O-])C2=O)cc1 ZINC000187784931 1431812125 /nfs/dbraw/zinc/81/21/25/1431812125.db2.gz HQXSOGBLBGHDBL-SJCJKPOMSA-N 0 0 376.403 3.131 20 10 GGCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC(C)(C)O1 ZINC000187871620 1431822235 /nfs/dbraw/zinc/82/22/35/1431822235.db2.gz VMDISMZRZLLVPI-UHFFFAOYSA-N 0 0 377.554 3.339 20 10 GGCDRN CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000187877369 1431822928 /nfs/dbraw/zinc/82/29/28/1431822928.db2.gz PRJWVAVEXCGDMB-CABZTGNLSA-N 0 0 378.383 3.277 20 10 GGCDRN CN(c1ccc(CNC(=O)N2CCC[C@@H](OCCO)C2)cc1)C1CCCCC1 ZINC000187998399 1431834980 /nfs/dbraw/zinc/83/49/80/1431834980.db2.gz HMGAZOCJEJAUTA-OAQYLSRUSA-N 0 0 389.540 3.138 20 10 GGCDRN CN(c1ccc(CNC(=O)N2CCC[C@H](OCCO)C2)cc1)C1CCCCC1 ZINC000187998374 1431835034 /nfs/dbraw/zinc/83/50/34/1431835034.db2.gz HMGAZOCJEJAUTA-NRFANRHFSA-N 0 0 389.540 3.138 20 10 GGCDRN Cc1cc(C(=O)N(C)CC2(O)CCOCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000188087680 1431844742 /nfs/dbraw/zinc/84/47/42/1431844742.db2.gz JAGNLXNGYYYKEY-UHFFFAOYSA-N 0 0 376.884 3.361 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000188095321 1431845903 /nfs/dbraw/zinc/84/59/03/1431845903.db2.gz MBKCKIIDLPAGJQ-DYVFJYSZSA-N 0 0 391.409 3.175 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NC[C@]3(O)CCC[C@H](C(F)(F)F)C3)ccc21 ZINC000188103894 1431846958 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Cc1cc(-c2ncccc2NC(=O)C(=O)N(C)Cc2ccccc2O)cs1 ZINC000188396682 1431880717 /nfs/dbraw/zinc/88/07/17/1431880717.db2.gz RNTUREABYDTORR-UHFFFAOYSA-N 0 0 381.457 3.421 20 10 GGCDRN COC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCCC1 ZINC000188451733 1431885119 /nfs/dbraw/zinc/88/51/19/1431885119.db2.gz SSIKGNVWWWHUAG-UHFFFAOYSA-N 0 0 389.540 3.044 20 10 GGCDRN Cc1coc(SCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000188462562 1431886135 /nfs/dbraw/zinc/88/61/35/1431886135.db2.gz YJKNWOROXBZEDL-OKILXGFUSA-N 0 0 393.484 3.144 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1-c1ccsc1 ZINC000188493780 1431888942 /nfs/dbraw/zinc/88/89/42/1431888942.db2.gz NBDLIDODRGSGRK-UHFFFAOYSA-N 0 0 386.452 3.044 20 10 GGCDRN N#Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1O ZINC000188582768 1431897171 /nfs/dbraw/zinc/89/71/71/1431897171.db2.gz FSYLKWHBOKWKGG-HNNXBMFYSA-N 0 0 387.386 3.264 20 10 GGCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)c1nnnn1C1CC1 ZINC000188746664 1431955774 /nfs/dbraw/zinc/95/57/74/1431955774.db2.gz HYQLTNNXSQKVFQ-AWEZNQCLSA-N 0 0 384.484 3.319 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NCC[C@@](C)(O)c3ccccc3)CC2)cc1 ZINC000188766869 1431965117 /nfs/dbraw/zinc/96/51/17/1431965117.db2.gz CXFCZAXWKSBACZ-HSZRJFAPSA-N 0 0 397.519 3.261 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188891182 1432003923 /nfs/dbraw/zinc/00/39/23/1432003923.db2.gz OHIYIEJCZRNYOQ-APWZRJJASA-N 0 0 397.441 3.346 20 10 GGCDRN COc1ccccc1-c1nn(C)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188904663 1432005749 /nfs/dbraw/zinc/00/57/49/1432005749.db2.gz IARMNFVKPCLNJG-UHFFFAOYSA-N 0 0 392.459 3.201 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CCCN1C(=O)c1ccccc1 ZINC000188906635 1432006199 /nfs/dbraw/zinc/00/61/99/1432006199.db2.gz ILYIDWOFEDVVKJ-QHCPKHFHSA-N 0 0 393.487 3.173 20 10 GGCDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188906560 1432006239 /nfs/dbraw/zinc/00/62/39/1432006239.db2.gz NWOGZHMAMSTOOU-IBGZPJMESA-N 0 0 395.503 3.006 20 10 GGCDRN COCc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccc1 ZINC000188909421 1432007035 /nfs/dbraw/zinc/00/70/35/1432007035.db2.gz BVYBFDVCTYZYLT-UHFFFAOYSA-N 0 0 392.459 3.124 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000188910711 1432007361 /nfs/dbraw/zinc/00/73/61/1432007361.db2.gz HHBLQVQJFWKCCX-UHFFFAOYSA-N 0 0 384.451 3.366 20 10 GGCDRN CC(=O)Nc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000189001137 1432025194 /nfs/dbraw/zinc/02/51/94/1432025194.db2.gz YVXXYZPCUVBWGA-SFHVURJKSA-N 0 0 382.460 3.480 20 10 GGCDRN COC(=O)C[C@](C)(NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccn1 ZINC000189113070 1432047127 /nfs/dbraw/zinc/04/71/27/1432047127.db2.gz MYEKBXQCIJYOLN-QFIPXVFZSA-N 0 0 392.459 3.092 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(O)ccc1C(F)(F)F ZINC000189169027 1432057087 /nfs/dbraw/zinc/05/70/87/1432057087.db2.gz HJCJOEXINUSDPR-UHFFFAOYSA-N 0 0 398.356 3.317 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000189283100 1432078092 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GGCDRN C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191196307 1432588092 /nfs/dbraw/zinc/58/80/92/1432588092.db2.gz SWHGJCKXIQFDLV-CQSZACIVSA-N 0 0 389.446 3.424 20 10 GGCDRN C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000191211300 1432592845 /nfs/dbraw/zinc/59/28/45/1432592845.db2.gz CHRGUVZAYYIJPR-ZDUSSCGKSA-N 0 0 390.430 3.221 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191215068 1432593749 /nfs/dbraw/zinc/59/37/49/1432593749.db2.gz ZHDZLIPAXLMKBT-NWDGAFQWSA-N 0 0 384.448 3.333 20 10 GGCDRN COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1C ZINC000191406672 1432654781 /nfs/dbraw/zinc/65/47/81/1432654781.db2.gz IVPJDTQPJIOTPN-UHFFFAOYSA-N 0 0 399.447 3.021 20 10 GGCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000191578539 1432686523 /nfs/dbraw/zinc/68/65/23/1432686523.db2.gz CCNLOYQKUQXVJE-UHFFFAOYSA-N 0 0 381.476 3.441 20 10 GGCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 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375.476 3.219 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3ncnc4ccc(F)cc43)cc2)CC1 ZINC000191858041 1432741019 /nfs/dbraw/zinc/74/10/19/1432741019.db2.gz BFVAEPSEGZIBBD-UHFFFAOYSA-N 0 0 379.439 3.050 20 10 GGCDRN CCOc1cccc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000191857805 1432741073 /nfs/dbraw/zinc/74/10/73/1432741073.db2.gz DKXCPAVXUNKGKY-UHFFFAOYSA-N 0 0 398.463 3.274 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3noc(-c4ccccc4)n3)cc2)CC1 ZINC000191859315 1432741547 /nfs/dbraw/zinc/74/15/47/1432741547.db2.gz GOIXOZZXABQMPA-UHFFFAOYSA-N 0 0 377.448 3.017 20 10 GGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cn(C(C)(C)C)nn2)cc1 ZINC000191897518 1432750236 /nfs/dbraw/zinc/75/02/36/1432750236.db2.gz GAPNQQGVPTXNFA-UHFFFAOYSA-N 0 0 383.418 3.304 20 10 GGCDRN Cc1cc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000191966457 1432769931 /nfs/dbraw/zinc/76/99/31/1432769931.db2.gz OWAOSALSUSFFIV-IBGZPJMESA-N 0 0 389.455 3.005 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ncc(F)cc2F)cc1 ZINC000192000081 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391.309 3.313 20 10 GGCDRN COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC000192628102 1432868156 /nfs/dbraw/zinc/86/81/56/1432868156.db2.gz KTRFAXCDVBZAOD-UHFFFAOYSA-N 0 0 375.856 3.012 20 10 GGCDRN Cc1cc(C(=O)NCc2nnc3n2CCCCC3)c(C)n1-c1ccc(F)cc1 ZINC000192664211 1432872819 /nfs/dbraw/zinc/87/28/19/1432872819.db2.gz DXNREIWWVSKAJN-UHFFFAOYSA-N 0 0 381.455 3.481 20 10 GGCDRN Cc1ccc(CS(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(F)c1 ZINC000192685245 1432875225 /nfs/dbraw/zinc/87/52/25/1432875225.db2.gz KCLJSOIFISEJSA-GOSISDBHSA-N 0 0 393.480 3.351 20 10 GGCDRN Cc1c(C(=O)NCc2c(O)ccc3c2CCCC3)nnn1Cc1ccc(F)cc1 ZINC000192791615 1432891544 /nfs/dbraw/zinc/89/15/44/1432891544.db2.gz QXHUJBWWUSCQNO-UHFFFAOYSA-N 0 0 394.450 3.288 20 10 GGCDRN Cc1cc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c(C)n1-c1ccccn1 ZINC000192849947 1432898788 /nfs/dbraw/zinc/89/87/88/1432898788.db2.gz GGAXYMAJRPYXSL-UHFFFAOYSA-N 0 0 384.461 3.113 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(C)c(C)s2)cc1F ZINC000192913475 1432906729 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3.193 20 10 GGCDRN Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C)c(O)c2O)c1C ZINC000271286496 1434813230 /nfs/dbraw/zinc/81/32/30/1434813230.db2.gz PGRSFFMCVQKOBR-INIZCTEOSA-N 0 0 386.473 3.177 20 10 GGCDRN C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271317966 1434815594 /nfs/dbraw/zinc/81/55/94/1434815594.db2.gz UDIKSDHKTIQLQD-RBSFLKMASA-N 0 0 383.439 3.124 20 10 GGCDRN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271317959 1434815602 /nfs/dbraw/zinc/81/56/02/1434815602.db2.gz UDIKSDHKTIQLQD-KFWWJZLASA-N 0 0 383.439 3.124 20 10 GGCDRN Cc1cn2c(ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c2=O)s1 ZINC000271347065 1434817978 /nfs/dbraw/zinc/81/79/78/1434817978.db2.gz VMAPVTPTPIRUON-UHFFFAOYSA-N 0 0 384.505 3.181 20 10 GGCDRN CC(C)[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000271384412 1434820680 /nfs/dbraw/zinc/82/06/80/1434820680.db2.gz BLOSGIYPYRAHAV-NSHGMRRFSA-N 0 0 376.497 3.286 20 10 GGCDRN C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420062 1434823298 /nfs/dbraw/zinc/82/32/98/1434823298.db2.gz BPLSTSPGIPYZQW-SCLBCKFNSA-N 0 0 380.410 3.325 20 10 GGCDRN C[C@@H]1C[C@H](CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 ZINC000271558572 1434834746 /nfs/dbraw/zinc/83/47/46/1434834746.db2.gz VMKWAVXDEKRCFH-YFHUEUNASA-N 0 0 393.503 3.054 20 10 GGCDRN C[C@@H]1C[C@H](CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000271558565 1434834775 /nfs/dbraw/zinc/83/47/75/1434834775.db2.gz VMKWAVXDEKRCFH-MUQADHOPSA-N 0 0 393.503 3.054 20 10 GGCDRN CCCN1C(=O)CCc2cc(NC(=O)NCc3cccc(OC)c3O)ccc21 ZINC000271599954 1434838172 /nfs/dbraw/zinc/83/81/72/1434838172.db2.gz XKVNEVBWCZDURX-UHFFFAOYSA-N 0 0 383.448 3.412 20 10 GGCDRN CCc1nn(C)cc1NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000271610227 1434839016 /nfs/dbraw/zinc/83/90/16/1434839016.db2.gz ZZCKOJJBGUOORI-KBPBESRZSA-N 0 0 389.475 3.057 20 10 GGCDRN O=C(Nc1cccc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000271893707 1434857643 /nfs/dbraw/zinc/85/76/43/1434857643.db2.gz OXQAOCNUHDCJRY-UHFFFAOYSA-N 0 0 396.447 3.284 20 10 GGCDRN O=C1[C@@H]2CCCCN2C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272066841 1434869830 /nfs/dbraw/zinc/86/98/30/1434869830.db2.gz CZEUQQUAMATLLF-HOCLYGCPSA-N 0 0 379.407 3.074 20 10 GGCDRN O=C1[C@@H]2CCCCN2C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272066844 1434869914 /nfs/dbraw/zinc/86/99/14/1434869914.db2.gz CZEUQQUAMATLLF-ZBFHGGJFSA-N 0 0 379.407 3.074 20 10 GGCDRN C[C@@]12CCCN1C(=O)N([C@H]1CCCN(c3ccc(OC(F)F)cc3)C1)C2=O ZINC000272119376 1434873298 /nfs/dbraw/zinc/87/32/98/1434873298.db2.gz JGFOSQSXXWVMRS-LIRRHRJNSA-N 0 0 379.407 3.074 20 10 GGCDRN COc1ccc(C2(C(=O)NCCc3ccc(O)c(O)c3)CCCC2)cc1OC ZINC000272129884 1434873827 /nfs/dbraw/zinc/87/38/27/1434873827.db2.gz MDTKJVWIMOOCHK-UHFFFAOYSA-N 0 0 385.460 3.286 20 10 GGCDRN C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000272185119 1434876744 /nfs/dbraw/zinc/87/67/44/1434876744.db2.gz RGNLDTWECHIFSH-CQSZACIVSA-N 0 0 384.455 3.026 20 10 GGCDRN CCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCOCC1 ZINC000272248263 1434881345 /nfs/dbraw/zinc/88/13/45/1434881345.db2.gz XPOGBVLHYODPBT-HZPDHXFCSA-N 0 0 378.488 3.262 20 10 GGCDRN COc1cc([N+](=O)[O-])c(N2CCC(c3nncn3C(C)C)CC2)cc1OC ZINC000272266948 1434882867 /nfs/dbraw/zinc/88/28/67/1434882867.db2.gz NHONGXNCLPTBOE-UHFFFAOYSA-N 0 0 375.429 3.168 20 10 GGCDRN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)cc1 ZINC000272365221 1434890643 /nfs/dbraw/zinc/89/06/43/1434890643.db2.gz CPRWFRXNNCOBIC-YCRREMRBSA-N 0 0 381.428 3.241 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000272445682 1434896780 /nfs/dbraw/zinc/89/67/80/1434896780.db2.gz MXKDYVXOIUVVKI-FZMUQLTDSA-N 0 0 391.370 3.313 20 10 GGCDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000272452690 1434897433 /nfs/dbraw/zinc/89/74/33/1434897433.db2.gz QSRYNBBYVNASBN-DOTOQJQBSA-N 0 0 390.528 3.197 20 10 GGCDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272458581 1434897827 /nfs/dbraw/zinc/89/78/27/1434897827.db2.gz ODRKZBGIPYKORB-SXAWMYDMSA-N 0 0 383.444 3.327 20 10 GGCDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272492062 1434900230 /nfs/dbraw/zinc/90/02/30/1434900230.db2.gz RTMSJLUSPGREPV-RQMBKDMJSA-N 0 0 383.444 3.327 20 10 GGCDRN COc1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000272518861 1434903304 /nfs/dbraw/zinc/90/33/04/1434903304.db2.gz KTBLARGABGJSNN-UHFFFAOYSA-N 0 0 377.437 3.375 20 10 GGCDRN COCC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000272561588 1434908207 /nfs/dbraw/zinc/90/82/07/1434908207.db2.gz ONCLKOLXNQQGTI-LJQANCHMSA-N 0 0 387.480 3.035 20 10 GGCDRN COc1ccc(/C=C/C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1O ZINC000272598358 1434912856 /nfs/dbraw/zinc/91/28/56/1434912856.db2.gz DQFHGDUCTPWLBU-CKDFRHGISA-N 0 0 383.444 3.327 20 10 GGCDRN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000272612982 1434915109 /nfs/dbraw/zinc/91/51/09/1434915109.db2.gz KTKJBPLVOGZLIJ-UHFFFAOYSA-N 0 0 397.450 3.244 20 10 GGCDRN Cc1nn(-c2ccccc2)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000272707556 1434924719 /nfs/dbraw/zinc/92/47/19/1434924719.db2.gz JUDLMGOMCAKTBJ-UHFFFAOYSA-N 0 0 391.475 3.339 20 10 GGCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272725261 1434926241 /nfs/dbraw/zinc/92/62/41/1434926241.db2.gz KOAJMNFCMVTBOU-OXQOHEQNSA-N 0 0 378.488 3.120 20 10 GGCDRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000272833251 1434934674 /nfs/dbraw/zinc/93/46/74/1434934674.db2.gz NBUFVFIKMJBBFD-CQSZACIVSA-N 0 0 398.463 3.157 20 10 GGCDRN COCC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccco1 ZINC000272856251 1434936332 /nfs/dbraw/zinc/93/63/32/1434936332.db2.gz UDPZHXMJVCHXFA-QZTJIDSGSA-N 0 0 388.464 3.454 20 10 GGCDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000272871707 1434937624 /nfs/dbraw/zinc/93/76/24/1434937624.db2.gz UYDRAAQKFBYTOX-UHFFFAOYSA-N 0 0 396.447 3.449 20 10 GGCDRN CCC[C@@H]1C[C@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000272992987 1434947907 /nfs/dbraw/zinc/94/79/07/1434947907.db2.gz NHPGVWMZIXROLE-CZUORRHYSA-N 0 0 383.872 3.143 20 10 GGCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1 ZINC000273057026 1434955948 /nfs/dbraw/zinc/95/59/48/1434955948.db2.gz WRPJLPIGGYANKU-IRLDBZIGSA-N 0 0 388.552 3.353 20 10 GGCDRN Cn1cc([C@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)cn1 ZINC000273080210 1434958765 /nfs/dbraw/zinc/95/87/65/1434958765.db2.gz IWTJVOMHARKJPE-JOCHJYFZSA-N 0 0 380.467 3.275 20 10 GGCDRN CC[C@@H]1C[C@@H](CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000273102329 1434961405 /nfs/dbraw/zinc/96/14/05/1434961405.db2.gz MFUGBAFYZYOAFN-XJKSGUPXSA-N 0 0 383.872 3.143 20 10 GGCDRN CSc1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000273138129 1434965688 /nfs/dbraw/zinc/96/56/88/1434965688.db2.gz WSGJZKTTYZBUQX-UHFFFAOYSA-N 0 0 376.457 3.101 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000273144466 1434966164 /nfs/dbraw/zinc/96/61/64/1434966164.db2.gz GACAAFOBEATOBC-RYUDHWBXSA-N 0 0 376.434 3.234 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000273194957 1434971228 /nfs/dbraw/zinc/97/12/28/1434971228.db2.gz QJPDQPLCGMMEDO-RDJZCZTQSA-N 0 0 397.475 3.089 20 10 GGCDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000273205642 1434972409 /nfs/dbraw/zinc/97/24/09/1434972409.db2.gz SDFJHPZPLMMXNV-CHWSQXEVSA-N 0 0 389.473 3.112 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298386 1434979098 /nfs/dbraw/zinc/97/90/98/1434979098.db2.gz ARUDCOXJIUBKKK-ZDUSSCGKSA-N 0 0 375.400 3.127 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405784 1434986711 /nfs/dbraw/zinc/98/67/11/1434986711.db2.gz OGWHIUZWQQDWHV-HOTGVXAUSA-N 0 0 385.464 3.372 20 10 GGCDRN COc1cc(N2CCN(c3cccc(F)c3C(C)=O)CC2)cc(OC)c1OC ZINC000273432595 1434988501 /nfs/dbraw/zinc/98/85/01/1434988501.db2.gz ATBFWHVFWVMDQY-UHFFFAOYSA-N 0 0 388.439 3.381 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273438482 1434988830 /nfs/dbraw/zinc/98/88/30/1434988830.db2.gz XTOFPFSTRCVZSL-CYBMUJFWSA-N 0 0 389.427 3.251 20 10 GGCDRN COc1cc(N2CCN(c3ncnc4cccc(F)c43)CC2)cc(OC)c1OC ZINC000273440772 1434989081 /nfs/dbraw/zinc/98/90/81/1434989081.db2.gz BJHQYVWIFCJYOE-UHFFFAOYSA-N 0 0 398.438 3.121 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000273443740 1434989094 /nfs/dbraw/zinc/98/90/94/1434989094.db2.gz ZGAHRGASBOELMR-GFCCVEGCSA-N 0 0 375.421 3.055 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000273445985 1434989289 /nfs/dbraw/zinc/98/92/89/1434989289.db2.gz ZUNYAIAUBKRNTG-HNNXBMFYSA-N 0 0 380.448 3.227 20 10 GGCDRN Cc1ccc([C@H](C)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c(O)c1C ZINC000273452004 1434989674 /nfs/dbraw/zinc/98/96/74/1434989674.db2.gz OTPMUCJPXPBWJC-KRWDZBQOSA-N 0 0 383.492 3.453 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000274169912 1435048348 /nfs/dbraw/zinc/04/83/48/1435048348.db2.gz IRJOIGKDSPJTFG-ZDUSSCGKSA-N 0 0 389.473 3.099 20 10 GGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000274312221 1435060516 /nfs/dbraw/zinc/06/05/16/1435060516.db2.gz GFCYNDCSYYAHJY-ZDUSSCGKSA-N 0 0 381.425 3.056 20 10 GGCDRN C[C@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccccn3)cc2F)C[C@H](C)O1 ZINC000274458792 1435072465 /nfs/dbraw/zinc/07/24/65/1435072465.db2.gz JZQMSTAKDRQCDB-HOTGVXAUSA-N 0 0 399.466 3.114 20 10 GGCDRN CCn1nc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c2ccccc21 ZINC000274486697 1435074292 /nfs/dbraw/zinc/07/42/92/1435074292.db2.gz YWDNMFSBDUKQQF-UHFFFAOYSA-N 0 0 382.483 3.446 20 10 GGCDRN COC(OC)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000274517736 1435076167 /nfs/dbraw/zinc/07/61/67/1435076167.db2.gz ODDFAHFOUKZJJK-HNNXBMFYSA-N 0 0 375.421 3.098 20 10 GGCDRN c1cc(-c2nnc3ccc(NCc4ccc(N5CCOCC5)cc4)nn32)cs1 ZINC000274629217 1435081858 /nfs/dbraw/zinc/08/18/58/1435081858.db2.gz BPLSDHLCLHBZFK-UHFFFAOYSA-N 0 0 392.488 3.302 20 10 GGCDRN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1cn(C)c2ccccc12 ZINC000274629242 1435081892 /nfs/dbraw/zinc/08/18/92/1435081892.db2.gz NEOYVDWLXKDSFA-QGZVFWFLSA-N 0 0 377.488 3.435 20 10 GGCDRN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C)c(O)c(C)c3C)cc2)CC1 ZINC000274759652 1435090254 /nfs/dbraw/zinc/09/02/54/1435090254.db2.gz GQFIGMBVRDERCG-UHFFFAOYSA-N 0 0 389.473 3.323 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000274942690 1435104960 /nfs/dbraw/zinc/10/49/60/1435104960.db2.gz PXURDCBLJKZFSQ-ZDUSSCGKSA-N 0 0 389.473 3.219 20 10 GGCDRN CCn1cc(-c2nn(C)cc2C(=O)N2C[C@H](C)CN(C)c3ccccc32)cn1 ZINC000274978686 1435107357 /nfs/dbraw/zinc/10/73/57/1435107357.db2.gz ARNYEOOOUJGMGL-OAHLLOKOSA-N 0 0 378.480 3.036 20 10 GGCDRN CCn1cc(-c2nn(C)cc2C(=O)N2C[C@@H](C)CN(C)c3ccccc32)cn1 ZINC000274978682 1435107377 /nfs/dbraw/zinc/10/73/77/1435107377.db2.gz ARNYEOOOUJGMGL-HNNXBMFYSA-N 0 0 378.480 3.036 20 10 GGCDRN COc1cc([N+](=O)[O-])c(N2CCC(O)(c3c(F)cccc3F)CC2)cc1OC ZINC000275060124 1435113546 /nfs/dbraw/zinc/11/35/46/1435113546.db2.gz VUVHFSOILSXXHC-UHFFFAOYSA-N 0 0 394.374 3.378 20 10 GGCDRN CCOC(=O)[C@H](NCc1cccc(OCC)c1O)c1ccc(OC)c(F)c1 ZINC000275119834 1435117444 /nfs/dbraw/zinc/11/74/44/1435117444.db2.gz IYXQXIGRJWERDS-GOSISDBHSA-N 0 0 377.412 3.333 20 10 GGCDRN COCCN1C(=O)CCc2cc(N[C@H](C)c3cc(C(=O)OC)ccc3O)ccc21 ZINC000275143711 1435119002 /nfs/dbraw/zinc/11/90/02/1435119002.db2.gz SKMZWWRSYSVFEG-CQSZACIVSA-N 0 0 398.459 3.278 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC000275224718 1435124194 /nfs/dbraw/zinc/12/41/94/1435124194.db2.gz AVSXZJRGQFBTNW-LEWJYISDSA-N 0 0 382.508 3.050 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2CC)cc1 ZINC000275362693 1435134206 /nfs/dbraw/zinc/13/42/06/1435134206.db2.gz JSNFJUPHVJJEPR-OALUTQOASA-N 0 0 385.512 3.079 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000275372573 1435134809 /nfs/dbraw/zinc/13/48/09/1435134809.db2.gz LASLNKYSDAXMTG-FPOVZHCZSA-N 0 0 399.539 3.213 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc([C@@H]4CCOC4)c3)c2)CC1 ZINC000275462352 1435140953 /nfs/dbraw/zinc/14/09/53/1435140953.db2.gz JUTPOOFWOLABFN-HXUWFJFHSA-N 0 0 393.487 3.111 20 10 GGCDRN O=C(Nc1ccc(OC2COC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000275540217 1435146775 /nfs/dbraw/zinc/14/67/75/1435146775.db2.gz ZKWIMNCKQQFPAT-IBGZPJMESA-N 0 0 398.459 3.383 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000275549731 1435147394 /nfs/dbraw/zinc/14/73/94/1435147394.db2.gz CGCYMVWVEIDDFO-UHFFFAOYSA-N 0 0 398.507 3.449 20 10 GGCDRN CNC(=O)COc1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000275569869 1435149223 /nfs/dbraw/zinc/14/92/23/1435149223.db2.gz GSAAWNYQVCXDFB-UHFFFAOYSA-N 0 0 398.507 3.320 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000275649187 1435156274 /nfs/dbraw/zinc/15/62/74/1435156274.db2.gz DJAMKDZUVFWNTP-UHFFFAOYSA-N 0 0 385.512 3.080 20 10 GGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 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ZINC000275912693 1435179333 /nfs/dbraw/zinc/17/93/33/1435179333.db2.gz WNDKTJZDPYTDGM-UHFFFAOYSA-N 0 0 382.420 3.339 20 10 GGCDRN COC(=O)c1cccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)c1 ZINC000275925267 1435180122 /nfs/dbraw/zinc/18/01/22/1435180122.db2.gz YXCWRVZSBQTBCH-UHFFFAOYSA-N 0 0 395.459 3.217 20 10 GGCDRN CN(CC1(O)CCOCC1)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000275928967 1435180289 /nfs/dbraw/zinc/18/02/89/1435180289.db2.gz AMUNGBHGMSDZBX-WCWDXBQESA-N 0 0 396.447 3.040 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000275936347 1435180825 /nfs/dbraw/zinc/18/08/25/1435180825.db2.gz AMIDSJDMNDZPRI-AWEZNQCLSA-N 0 0 398.459 3.105 20 10 GGCDRN CC(C)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000276010343 1435185524 /nfs/dbraw/zinc/18/55/24/1435185524.db2.gz HBPUBCQETQVQJF-ZDUSSCGKSA-N 0 0 388.489 3.284 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4cccc(C)c4)CC3)cc2)CC1 ZINC000276101577 1435190978 /nfs/dbraw/zinc/19/09/78/1435190978.db2.gz 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ZINC000276304208 1435203587 /nfs/dbraw/zinc/20/35/87/1435203587.db2.gz RLWFWRXEMPIBPS-UHFFFAOYSA-N 0 0 385.895 3.247 20 10 GGCDRN CCS(=O)(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC000276310710 1435203971 /nfs/dbraw/zinc/20/39/71/1435203971.db2.gz NASOWBIYGPZQPM-UHFFFAOYSA-N 0 0 388.533 3.301 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3nc(-c4ccccc4)ns3)cc2)CC1 ZINC000276318627 1435204573 /nfs/dbraw/zinc/20/45/73/1435204573.db2.gz OHKGTDYJAPLRJU-UHFFFAOYSA-N 0 0 393.516 3.486 20 10 GGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)c(C)n1-c1ccccc1 ZINC000276334179 1435205430 /nfs/dbraw/zinc/20/54/30/1435205430.db2.gz QABYLDIDXBWYLO-UTKZUKDTSA-N 0 0 378.476 3.478 20 10 GGCDRN Cc1cnc(Cl)c(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000276339122 1435205837 /nfs/dbraw/zinc/20/58/37/1435205837.db2.gz JLJJDFAJIFSAOW-UHFFFAOYSA-N 0 0 388.899 3.485 20 10 GGCDRN CCS(=O)(=O)c1ccccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000276374067 1435207767 /nfs/dbraw/zinc/20/77/67/1435207767.db2.gz XUEFLJIRCGRBQM-UHFFFAOYSA-N 0 0 388.533 3.301 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000276406782 1435209638 /nfs/dbraw/zinc/20/96/38/1435209638.db2.gz FIAAGEXYPSVXDS-UHFFFAOYSA-N 0 0 392.503 3.389 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccnc(F)c3F)cc2F)C[C@@H](C)O1 ZINC000276478957 1435213405 /nfs/dbraw/zinc/21/34/05/1435213405.db2.gz RPULZOPJUUNZDE-VXGBXAGGSA-N 0 0 379.382 3.043 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 ZINC000276551696 1435217240 /nfs/dbraw/zinc/21/72/40/1435217240.db2.gz HWUBOOCEWDTQIA-UHFFFAOYSA-N 0 0 391.493 3.188 20 10 GGCDRN C[NH+](C)CC1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000276590412 1435219321 /nfs/dbraw/zinc/21/93/21/1435219321.db2.gz NBCKJWJVUZJLIB-UHFFFAOYSA-N 0 0 387.455 3.267 20 10 GGCDRN CCOC(=O)c1csc([C@H]2CCCN2Cc2cc(OC)c(OC)cc2O)n1 ZINC000276763076 1435230503 /nfs/dbraw/zinc/23/05/03/1435230503.db2.gz FWCMPBWOVFJJQQ-CQSZACIVSA-N 0 0 392.477 3.380 20 10 GGCDRN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276788530 1435232631 /nfs/dbraw/zinc/23/26/31/1435232631.db2.gz KMVWLXDZHCVQJH-UHFFFAOYSA-N 0 0 391.475 3.067 20 10 GGCDRN CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276914568 1435242494 /nfs/dbraw/zinc/24/24/94/1435242494.db2.gz RQMRMISFXFIBQP-AWEZNQCLSA-N 0 0 385.464 3.236 20 10 GGCDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276926317 1435243671 /nfs/dbraw/zinc/24/36/71/1435243671.db2.gz UJKHIBAQXPLQII-ZIAGYGMSSA-N 0 0 385.464 3.379 20 10 GGCDRN Cc1noc(C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ccccc2)n1 ZINC000276930561 1435244199 /nfs/dbraw/zinc/24/41/99/1435244199.db2.gz ABMJGXWJNKXNOZ-IBGZPJMESA-N 0 0 379.464 3.227 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000276934672 1435244422 /nfs/dbraw/zinc/24/44/22/1435244422.db2.gz VYHTUFDLVWIYMP-AWEZNQCLSA-N 0 0 387.505 3.404 20 10 GGCDRN COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276940823 1435245159 /nfs/dbraw/zinc/24/51/59/1435245159.db2.gz WSIUOPQJTXTMPS-SNVBAGLBSA-N 0 0 382.363 3.461 20 10 GGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276955966 1435246769 /nfs/dbraw/zinc/24/67/69/1435246769.db2.gz RGYYSXIPLVFXES-VXGBXAGGSA-N 0 0 384.448 3.333 20 10 GGCDRN Cc1cccc2c1CN(C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000277001139 1435251043 /nfs/dbraw/zinc/25/10/43/1435251043.db2.gz JYHHNOKMYJNMRY-UHFFFAOYSA-N 0 0 397.494 3.363 20 10 GGCDRN COCCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCCC1 ZINC000277170221 1435272760 /nfs/dbraw/zinc/27/27/60/1435272760.db2.gz CUQOJEGKEVZYKX-UHFFFAOYSA-N 0 0 380.872 3.407 20 10 GGCDRN CC(C)C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277229897 1435282041 /nfs/dbraw/zinc/28/20/41/1435282041.db2.gz KISXOLVLAMZGMO-CVEARBPZSA-N 0 0 380.872 3.404 20 10 GGCDRN COCCOc1ccc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000277257382 1435285655 /nfs/dbraw/zinc/28/56/55/1435285655.db2.gz FRDOBHOWQKXVPR-OAQYLSRUSA-N 0 0 399.487 3.168 20 10 GGCDRN C[C@H]1C(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C(=O)N1C1CCC1 ZINC000277297368 1435290689 /nfs/dbraw/zinc/29/06/89/1435290689.db2.gz KSWUJDKWCSQBDC-KFWWJZLASA-N 0 0 389.471 3.145 20 10 GGCDRN CC(C)(C)[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277310622 1435292483 /nfs/dbraw/zinc/29/24/83/1435292483.db2.gz SNBZZEUMRZJLAX-HOCLYGCPSA-N 0 0 380.872 3.404 20 10 GGCDRN CO[C@H](C)c1nc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC000277644326 1435318686 /nfs/dbraw/zinc/31/86/86/1435318686.db2.gz LJRUURLSCDFODW-SNVBAGLBSA-N 0 0 395.868 3.174 20 10 GGCDRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000277677970 1435321443 /nfs/dbraw/zinc/32/14/43/1435321443.db2.gz FHSYNIZZFVCIKK-CQSZACIVSA-N 0 0 391.489 3.033 20 10 GGCDRN Cc1ccn(CC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c(=O)c1 ZINC000277873810 1435338231 /nfs/dbraw/zinc/33/82/31/1435338231.db2.gz KMZRUSKRPQDJHG-UHFFFAOYSA-N 0 0 379.460 3.045 20 10 GGCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1ccc([N+](=O)[O-])c(OC)c1O)N2 ZINC000277900915 1435340809 /nfs/dbraw/zinc/34/08/09/1435340809.db2.gz CVZUWIXJYPDJJJ-SFHVURJKSA-N 0 0 385.376 3.047 20 10 GGCDRN CSc1nnc(-c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)s1 ZINC000277964127 1435346182 /nfs/dbraw/zinc/34/61/82/1435346182.db2.gz MUAJTDWIYMVSGW-QPJJXVBHSA-N 0 0 387.490 3.317 20 10 GGCDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc(N2CCCC2)cc1 ZINC000277991455 1435348378 /nfs/dbraw/zinc/34/83/78/1435348378.db2.gz WRNAJIIYOFFGSS-UHFFFAOYSA-N 0 0 394.435 3.071 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278110454 1435360218 /nfs/dbraw/zinc/36/02/18/1435360218.db2.gz BKBCEXDHQAKMRQ-INIZCTEOSA-N 0 0 375.425 3.137 20 10 GGCDRN COc1c([O-])c(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000278140218 1435363649 /nfs/dbraw/zinc/36/36/49/1435363649.db2.gz AXQRCHXEMTZETN-ZDUSSCGKSA-N 0 0 383.408 3.083 20 10 GGCDRN COc1c(O)c(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)ccc1[N+](=O)[O-] ZINC000278192427 1435368121 /nfs/dbraw/zinc/36/81/21/1435368121.db2.gz IFEQVHMLTLNCDK-LBPRGKRZSA-N 0 0 394.428 3.058 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278329375 1435380571 /nfs/dbraw/zinc/38/05/71/1435380571.db2.gz UXRPUEJKZHHJAV-GXTWGEPZSA-N 0 0 395.456 3.187 20 10 GGCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C(=O)N(C)C(C)C ZINC000278377639 1435385449 /nfs/dbraw/zinc/38/54/49/1435385449.db2.gz CMORYXCQECJVGJ-UHFFFAOYSA-N 0 0 385.464 3.251 20 10 GGCDRN COc1c([O-])c(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278490860 1435394882 /nfs/dbraw/zinc/39/48/82/1435394882.db2.gz LGXMRPBILUMAPR-UHFFFAOYSA-N 0 0 380.441 3.299 20 10 GGCDRN CCNC(=O)N1CCc2ccc(NCc3ccc([N+](=O)[O-])c(OC)c3O)cc21 ZINC000278521313 1435396951 /nfs/dbraw/zinc/39/69/51/1435396951.db2.gz SCXFVWDJPYYORD-UHFFFAOYSA-N 0 0 386.408 3.013 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278528093 1435397315 /nfs/dbraw/zinc/39/73/15/1435397315.db2.gz UHYUGUYIKFVOQX-DOTOQJQBSA-N 0 0 376.384 3.458 20 10 GGCDRN CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278566581 1435400586 /nfs/dbraw/zinc/40/05/86/1435400586.db2.gz BXHFXQTVAXJDLO-UHFFFAOYSA-N 0 0 387.436 3.129 20 10 GGCDRN CCCOc1ccc(CNc2ccc(C(=O)NCCC(=O)OC)cc2)c(O)c1 ZINC000278686779 1435414077 /nfs/dbraw/zinc/41/40/77/1435414077.db2.gz MKZOKEJFWOVKNX-UHFFFAOYSA-N 0 0 386.448 3.086 20 10 GGCDRN O=S1(=O)CC[C@@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)C1 ZINC000278685797 1435414100 /nfs/dbraw/zinc/41/41/00/1435414100.db2.gz MEYRNSHPRXEZOF-RDJZCZTQSA-N 0 0 392.546 3.256 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000278838043 1435429424 /nfs/dbraw/zinc/42/94/24/1435429424.db2.gz JNNXDAMQUHTGLL-INIZCTEOSA-N 0 0 375.425 3.219 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855040 1435431776 /nfs/dbraw/zinc/43/17/76/1435431776.db2.gz LLCIJYVAWMIKAL-HIFRSBDPSA-N 0 0 378.450 3.459 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000278904232 1435437924 /nfs/dbraw/zinc/43/79/24/1435437924.db2.gz RPMBDVZSIPHZOK-UHFFFAOYSA-N 0 0 386.452 3.374 20 10 GGCDRN COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC(F)F ZINC000278926317 1435440910 /nfs/dbraw/zinc/44/09/10/1435440910.db2.gz VOOWLOXTXHJSHD-UHFFFAOYSA-N 0 0 398.362 3.251 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278931101 1435441455 /nfs/dbraw/zinc/44/14/55/1435441455.db2.gz WDPHWAKGQROVMW-UHFFFAOYSA-N 0 0 386.452 3.374 20 10 GGCDRN COc1c(O)c(CNCc2nn(-c3ccccc3)c3c2CCC3)ccc1[N+](=O)[O-] ZINC000278939785 1435442569 /nfs/dbraw/zinc/44/25/69/1435442569.db2.gz XMQPSUJQRWIKGF-UHFFFAOYSA-N 0 0 394.431 3.273 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000278952474 1435444599 /nfs/dbraw/zinc/44/45/99/1435444599.db2.gz FCIHEOPYWAZLCZ-UHFFFAOYSA-N 0 0 387.524 3.199 20 10 GGCDRN Cc1sc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1C(C)C ZINC000278996823 1435450231 /nfs/dbraw/zinc/45/02/31/1435450231.db2.gz LCLKPUFTFCVYCE-UHFFFAOYSA-N 0 0 391.512 3.410 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000279009271 1435451573 /nfs/dbraw/zinc/45/15/73/1435451573.db2.gz DTCBYKAVKHBZNF-UHFFFAOYSA-N 0 0 382.489 3.042 20 10 GGCDRN O=C(Nc1cccc(N2CCC2=O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279062299 1435456938 /nfs/dbraw/zinc/45/69/38/1435456938.db2.gz ASXJAECMTONVBG-LJQANCHMSA-N 0 0 395.459 3.342 20 10 GGCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000279128986 1435463215 /nfs/dbraw/zinc/46/32/15/1435463215.db2.gz DSWHWCWZERCXJU-INIZCTEOSA-N 0 0 387.524 3.406 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1F ZINC000279197662 1435470352 /nfs/dbraw/zinc/47/03/52/1435470352.db2.gz MFOXMJMLWMMBNJ-UHFFFAOYSA-N 0 0 383.345 3.006 20 10 GGCDRN CCc1csc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000279285767 1435481901 /nfs/dbraw/zinc/48/19/01/1435481901.db2.gz XJCDHRRHJBGFNJ-ZIAGYGMSSA-N 0 0 391.512 3.317 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000279321754 1435486383 /nfs/dbraw/zinc/48/63/83/1435486383.db2.gz ZZQHCYWORRABMD-HPWWWVCSSA-N 0 0 399.409 3.437 20 10 GGCDRN C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CCO2 ZINC000279469942 1435502865 /nfs/dbraw/zinc/50/28/65/1435502865.db2.gz HIEDHZFFZVEJAH-XMSQKQJNSA-N 0 0 387.524 3.012 20 10 GGCDRN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279489909 1435505119 /nfs/dbraw/zinc/50/51/19/1435505119.db2.gz OZSBWNDLFOWMDA-NHCUHLMSSA-N 0 0 397.471 3.381 20 10 GGCDRN COC(=O)c1nc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)sc1C ZINC000279667030 1435526365 /nfs/dbraw/zinc/52/63/65/1435526365.db2.gz MSCFUGJDCBCNCD-GFCCVEGCSA-N 0 0 376.434 3.010 20 10 GGCDRN COC[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000279718256 1435534660 /nfs/dbraw/zinc/53/46/60/1435534660.db2.gz LIGADDLAELQDHD-PMACEKPBSA-N 0 0 375.513 3.012 20 10 GGCDRN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000279825812 1435547752 /nfs/dbraw/zinc/54/77/52/1435547752.db2.gz GKSOCNQWHAWATM-UONOGXRCSA-N 0 0 398.425 3.164 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000279914870 1435562476 /nfs/dbraw/zinc/56/24/76/1435562476.db2.gz PXFYJMYZRDDBKQ-UHFFFAOYSA-N 0 0 393.487 3.046 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)O[C@@]4(CCOC4)C3)cc2)CC1 ZINC000280007651 1435575757 /nfs/dbraw/zinc/57/57/57/1435575757.db2.gz SHJXPKPUKYJQFL-AVRDEDQJSA-N 0 0 387.524 3.012 20 10 GGCDRN O=S(=O)(c1ccnc(NCc2ccc(N3CCCC3)cc2)c1)N1CCCC1 ZINC000280031659 1435579666 /nfs/dbraw/zinc/57/96/66/1435579666.db2.gz LCUIPPUDBLYPMF-UHFFFAOYSA-N 0 0 386.521 3.078 20 10 GGCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000280046491 1435582620 /nfs/dbraw/zinc/58/26/20/1435582620.db2.gz XDADNEZAXHMNQF-DLTWYDFYSA-N 0 0 376.472 3.061 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 ZINC000280074155 1435587365 /nfs/dbraw/zinc/58/73/65/1435587365.db2.gz HXCMFNHKPSJLFH-QGZVFWFLSA-N 0 0 385.512 3.482 20 10 GGCDRN C[C@@H]1CN(c2ccc(CN[C@H](c3ncc[nH]3)c3cccnc3)cc2F)C[C@H](C)O1 ZINC000280203816 1435608400 /nfs/dbraw/zinc/60/84/00/1435608400.db2.gz SYFWQRVFIIEOLE-MRUHUIDDSA-N 0 0 395.482 3.437 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000280206594 1435608745 /nfs/dbraw/zinc/60/87/45/1435608745.db2.gz KFLCTQNQBJLCEZ-CTNGQTDRSA-N 0 0 377.444 3.455 20 10 GGCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCN(CC(F)(F)F)C1 ZINC000280287647 1435626711 /nfs/dbraw/zinc/62/67/11/1435626711.db2.gz ZHLMBMNOGHKESO-ZDUSSCGKSA-N 0 0 389.381 3.219 20 10 GGCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000280306594 1435631048 /nfs/dbraw/zinc/63/10/48/1435631048.db2.gz XKRGNBDZDAKCBE-OAHLLOKOSA-N 0 0 384.480 3.220 20 10 GGCDRN CNC(=O)COc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000280450394 1435663001 /nfs/dbraw/zinc/66/30/01/1435663001.db2.gz GVGMMLSGRQJLCM-UHFFFAOYSA-N 0 0 396.491 3.042 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000280531895 1435674826 /nfs/dbraw/zinc/67/48/26/1435674826.db2.gz LIOSIPDDBVGQLW-RDTXWAMCSA-N 0 0 386.448 3.408 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000280585440 1435683747 /nfs/dbraw/zinc/68/37/47/1435683747.db2.gz PVKYZKJXKHMEBM-OAHLLOKOSA-N 0 0 397.475 3.477 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N(CCc2ccccn2)Cc2ccncc2)cc1 ZINC000280613469 1435689716 /nfs/dbraw/zinc/68/97/16/1435689716.db2.gz KINNHYAWMHGKRI-UHFFFAOYSA-N 0 0 389.503 3.497 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000280655278 1435698651 /nfs/dbraw/zinc/69/86/51/1435698651.db2.gz WSGIJEZMRAWJLU-HNNXBMFYSA-N 0 0 397.475 3.477 20 10 GGCDRN CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000280679080 1435702612 /nfs/dbraw/zinc/70/26/12/1435702612.db2.gz NAOFAHHPHCKKKL-HNNXBMFYSA-N 0 0 378.856 3.167 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1conc1C1CC1 ZINC000280768501 1435716779 /nfs/dbraw/zinc/71/67/79/1435716779.db2.gz MGXFGCLNMMREAS-UHFFFAOYSA-N 0 0 395.381 3.337 20 10 GGCDRN CN(C)c1ccc(CNc2ccc(C(=O)NCCO)cc2)c(C(F)(F)F)c1 ZINC000280816335 1435725105 /nfs/dbraw/zinc/72/51/05/1435725105.db2.gz UWHYYMGBDFWUDS-UHFFFAOYSA-N 0 0 381.398 3.106 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCN(C(C)=O)C3)c2C)cc1 ZINC000280838552 1435728667 /nfs/dbraw/zinc/72/86/67/1435728667.db2.gz TWMKLTGEFLJRIV-SFHVURJKSA-N 0 0 383.492 3.091 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCc2ccncc2OCC(F)(F)F)cc1 ZINC000280869949 1435733881 /nfs/dbraw/zinc/73/38/81/1435733881.db2.gz ALJMKTBLNCSUGQ-UHFFFAOYSA-N 0 0 382.386 3.088 20 10 GGCDRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NCc2ccccc2O)CC1 ZINC000280938971 1435745081 /nfs/dbraw/zinc/74/50/81/1435745081.db2.gz QSUDMIJYZWSNQM-UHFFFAOYSA-N 0 0 375.469 3.149 20 10 GGCDRN CCNC(=O)Nc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000280988081 1435751779 /nfs/dbraw/zinc/75/17/79/1435751779.db2.gz KDCMDXHXQJFWDK-LBPRGKRZSA-N 0 0 386.452 3.300 20 10 GGCDRN O=C1[C@@H]2CC[C@@H](c3ccccc3)N2C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000281087203 1435771793 /nfs/dbraw/zinc/77/17/93/1435771793.db2.gz SCJDDABMHVYDJX-SFTDATJTSA-N 0 0 391.471 3.191 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000281198844 1435794566 /nfs/dbraw/zinc/79/45/66/1435794566.db2.gz NBIPZLOKUJMRBX-CZUORRHYSA-N 0 0 383.872 3.143 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCC[C@H](OC)C1 ZINC000281198799 1435794685 /nfs/dbraw/zinc/79/46/85/1435794685.db2.gz NBIPZLOKUJMRBX-BBRMVZONSA-N 0 0 383.872 3.143 20 10 GGCDRN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000281209704 1435796914 /nfs/dbraw/zinc/79/69/14/1435796914.db2.gz BHKTXKVYIRBBLO-MWIJPILHSA-N 0 0 398.547 3.325 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 ZINC000281332756 1435804117 /nfs/dbraw/zinc/80/41/17/1435804117.db2.gz JSZHSFBWFJJSQD-CVEARBPZSA-N 0 0 399.491 3.244 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1 ZINC000281332759 1435804151 /nfs/dbraw/zinc/80/41/51/1435804151.db2.gz JSZHSFBWFJJSQD-HZPDHXFCSA-N 0 0 399.491 3.244 20 10 GGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCc3cnn(C)c3C2)cc1 ZINC000281384956 1435806557 /nfs/dbraw/zinc/80/65/57/1435806557.db2.gz ZENLOULGFBXNDP-GOSISDBHSA-N 0 0 392.503 3.413 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)NCC3([S@@](C)=O)CCC3)cc2)CC1 ZINC000281388225 1435806764 /nfs/dbraw/zinc/80/67/64/1435806764.db2.gz GRHUSVVBCNDMGU-AREMUKBSSA-N 0 0 377.554 3.023 20 10 GGCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1ncnn1CCF ZINC000281463891 1435809960 /nfs/dbraw/zinc/80/99/60/1435809960.db2.gz MZIJYKKYYWZXKX-UHFFFAOYSA-N 0 0 389.456 3.195 20 10 GGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495406 1435811134 /nfs/dbraw/zinc/81/11/34/1435811134.db2.gz GNCOVDVDSMNTPU-VLIAUNLRSA-N 0 0 398.459 3.270 20 10 GGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495375 1435811209 /nfs/dbraw/zinc/81/12/09/1435811209.db2.gz GNCOVDVDSMNTPU-JLTOFOAXSA-N 0 0 398.459 3.270 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000281544359 1435812977 /nfs/dbraw/zinc/81/29/77/1435812977.db2.gz XETXTEDERYHZFN-LBPRGKRZSA-N 0 0 387.411 3.116 20 10 GGCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(C2CCC2)c1 ZINC000281825414 1435823349 /nfs/dbraw/zinc/82/33/49/1435823349.db2.gz KNOFQYPNCQBHEL-UHFFFAOYSA-N 0 0 384.501 3.441 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281913603 1435826521 /nfs/dbraw/zinc/82/65/21/1435826521.db2.gz GRTGDKQPWGRGDV-MRUDLTSASA-N 0 0 384.520 3.079 20 10 GGCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1OC ZINC000281918777 1435826789 /nfs/dbraw/zinc/82/67/89/1435826789.db2.gz GUWONSMQYKIYCW-CQSZACIVSA-N 0 0 385.420 3.101 20 10 GGCDRN Cc1cc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(C)c1Cl ZINC000282006732 1435830664 /nfs/dbraw/zinc/83/06/64/1435830664.db2.gz NRPDJHWKESXFCJ-GFCCVEGCSA-N 0 0 376.840 3.054 20 10 GGCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)no1 ZINC000282256350 1435840367 /nfs/dbraw/zinc/84/03/67/1435840367.db2.gz OTYMTBGFVOSKBX-LBPRGKRZSA-N 0 0 390.871 3.128 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccc2[nH]ccc2c1 ZINC000282336941 1435843532 /nfs/dbraw/zinc/84/35/32/1435843532.db2.gz OMIZQEQFXYWYBJ-UHFFFAOYSA-N 0 0 392.503 3.389 20 10 GGCDRN CS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000282348451 1435844089 /nfs/dbraw/zinc/84/40/89/1435844089.db2.gz VPKSBAHHDLBNPX-KHOFPDMRSA-N 0 0 386.477 3.159 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000282360061 1435844437 /nfs/dbraw/zinc/84/44/37/1435844437.db2.gz BHWGMDRKWYCYPT-UHFFFAOYSA-N 0 0 395.419 3.324 20 10 GGCDRN Cc1cc(Cl)nc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000282396110 1435845698 /nfs/dbraw/zinc/84/56/98/1435845698.db2.gz CQLHQXYCRUIVAZ-UHFFFAOYSA-N 0 0 392.862 3.019 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000282453557 1435847675 /nfs/dbraw/zinc/84/76/75/1435847675.db2.gz IXPMCPDCHALFJG-UHFFFAOYSA-N 0 0 398.507 3.090 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000282459286 1435847944 /nfs/dbraw/zinc/84/79/44/1435847944.db2.gz KBQFCKVCRBOJPA-UHFFFAOYSA-N 0 0 390.505 3.178 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000282498535 1435849289 /nfs/dbraw/zinc/84/92/89/1435849289.db2.gz NGIVEFUECKRXSB-HNNXBMFYSA-N 0 0 375.494 3.382 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282499590 1435849341 /nfs/dbraw/zinc/84/93/41/1435849341.db2.gz RTTQQJJIWSVZQJ-RHSMWYFYSA-N 0 0 383.448 3.136 20 10 GGCDRN CCCCN(Cc1nnc2n1c1ccsc1c(=O)n2C)Cc1ccccc1O ZINC000282546053 1435851009 /nfs/dbraw/zinc/85/10/09/1435851009.db2.gz WOYIOHYMZSVSCT-UHFFFAOYSA-N 0 0 397.504 3.151 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000282601354 1435853172 /nfs/dbraw/zinc/85/31/72/1435853172.db2.gz XZSLHNCNQHZNGU-UHFFFAOYSA-N 0 0 375.490 3.379 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2Cl)C1 ZINC000282646477 1435855053 /nfs/dbraw/zinc/85/50/53/1435855053.db2.gz LULGVUWPXVIFQS-HOCLYGCPSA-N 0 0 398.956 3.017 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc2Cl)C1 ZINC000282646469 1435855064 /nfs/dbraw/zinc/85/50/64/1435855064.db2.gz LULGVUWPXVIFQS-GDBMZVCRSA-N 0 0 398.956 3.017 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cccnc1OCCOC ZINC000282878291 1435864309 /nfs/dbraw/zinc/86/43/09/1435864309.db2.gz VEYXNUMOYGFRBP-UHFFFAOYSA-N 0 0 387.480 3.324 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000282884949 1435864536 /nfs/dbraw/zinc/86/45/36/1435864536.db2.gz CZWUGMWNJKNCQW-UHFFFAOYSA-N 0 0 398.507 3.136 20 10 GGCDRN CCOCCCn1c(C2CC2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000282982009 1435868826 /nfs/dbraw/zinc/86/88/26/1435868826.db2.gz KISXFPIXTITBEC-UHFFFAOYSA-N 0 0 399.539 3.055 20 10 GGCDRN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000283120553 1435875522 /nfs/dbraw/zinc/87/55/22/1435875522.db2.gz YRUUIBXFFGKFBO-UHFFFAOYSA-N 0 0 398.532 3.060 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nc2ccccc2s1 ZINC000283269229 1435882180 /nfs/dbraw/zinc/88/21/80/1435882180.db2.gz CFNMRUMKCALWKZ-UHFFFAOYSA-N 0 0 396.516 3.027 20 10 GGCDRN CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000283361151 1435886064 /nfs/dbraw/zinc/88/60/64/1435886064.db2.gz FFTSPTFRZGKHLZ-INIZCTEOSA-N 0 0 383.492 3.033 20 10 GGCDRN Cc1csc(CCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000283459566 1435890831 /nfs/dbraw/zinc/89/08/31/1435890831.db2.gz OJGUUVRVFBSJCU-UHFFFAOYSA-N 0 0 391.512 3.191 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1S[C@@H](C)C(N)=O ZINC000283487292 1435892092 /nfs/dbraw/zinc/89/20/92/1435892092.db2.gz ZPEFNPALZSWBDR-HNNXBMFYSA-N 0 0 385.533 3.381 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1S[C@H](C)C(N)=O ZINC000283487294 1435892143 /nfs/dbraw/zinc/89/21/43/1435892143.db2.gz ZPEFNPALZSWBDR-OAHLLOKOSA-N 0 0 385.533 3.381 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1OC(C)C ZINC000283541119 1435894597 /nfs/dbraw/zinc/89/45/97/1435894597.db2.gz HNQDKHKVRXAVGQ-UHFFFAOYSA-N 0 0 385.464 3.342 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000283560724 1435895538 /nfs/dbraw/zinc/89/55/38/1435895538.db2.gz PTRIIPIHYOQVRT-KRWDZBQOSA-N 0 0 381.467 3.490 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)nc1Cl ZINC000283598926 1435897262 /nfs/dbraw/zinc/89/72/62/1435897262.db2.gz LXSQWFIDWZXKGG-UHFFFAOYSA-N 0 0 391.855 3.217 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCCC(F)(F)C1 ZINC000283632696 1435898689 /nfs/dbraw/zinc/89/86/89/1435898689.db2.gz VWLLTXKMEMWRNA-OAHLLOKOSA-N 0 0 399.457 3.412 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ncn(C)n1 ZINC000283647564 1435899311 /nfs/dbraw/zinc/89/93/11/1435899311.db2.gz WQMQWELTRDLXKD-ZIAGYGMSSA-N 0 0 390.919 3.265 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000283680983 1435903048 /nfs/dbraw/zinc/90/30/48/1435903048.db2.gz NDPIOYJUXCJSTB-UHFFFAOYSA-N 0 0 379.464 3.485 20 10 GGCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283726106 1435911565 /nfs/dbraw/zinc/91/15/65/1435911565.db2.gz BSXGNADGCCBTTN-INIZCTEOSA-N 0 0 383.467 3.262 20 10 GGCDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283726110 1435911717 /nfs/dbraw/zinc/91/17/17/1435911717.db2.gz BSXGNADGCCBTTN-MRXNPFEDSA-N 0 0 383.467 3.262 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1OC(F)F ZINC000283830973 1435932818 /nfs/dbraw/zinc/93/28/18/1435932818.db2.gz FWXJGWFPXNBNJN-UHFFFAOYSA-N 0 0 392.402 3.049 20 10 GGCDRN CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000283895009 1435946637 /nfs/dbraw/zinc/94/66/37/1435946637.db2.gz GBZLFTWPWQFSIX-FQEVSTJZSA-N 0 0 382.508 3.154 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000284046114 1435980667 /nfs/dbraw/zinc/98/06/67/1435980667.db2.gz PFKXUDWRHNXEKG-SFHVURJKSA-N 0 0 382.435 3.039 20 10 GGCDRN COCc1ncsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000284079669 1435986942 /nfs/dbraw/zinc/98/69/42/1435986942.db2.gz WPECMMXFRBBTST-QGZVFWFLSA-N 0 0 389.521 3.177 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000284104404 1435990919 /nfs/dbraw/zinc/99/09/19/1435990919.db2.gz BJWKHAIKRHSLSX-LJQANCHMSA-N 0 0 386.517 3.062 20 10 GGCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1 ZINC000284240633 1436006470 /nfs/dbraw/zinc/00/64/70/1436006470.db2.gz QSYKEIVHUWEZGN-OAQYLSRUSA-N 0 0 395.503 3.179 20 10 GGCDRN CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000284263115 1436008309 /nfs/dbraw/zinc/00/83/09/1436008309.db2.gz GNNPCNSTEFQMGT-KBPBESRZSA-N 0 0 391.489 3.384 20 10 GGCDRN CN(Cc1cc2ccccc2o1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284280161 1436009555 /nfs/dbraw/zinc/00/95/55/1436009555.db2.gz SZPGKNBXUKBUFK-UHFFFAOYSA-N 0 0 391.471 3.308 20 10 GGCDRN C[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000284421614 1436020571 /nfs/dbraw/zinc/02/05/71/1436020571.db2.gz RHMLXHRQTYXVEI-QGZVFWFLSA-N 0 0 394.519 3.407 20 10 GGCDRN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000284726263 1436043636 /nfs/dbraw/zinc/04/36/36/1436043636.db2.gz CWKSIQHUZJZYIF-MNRXQERYSA-N 0 0 397.306 3.445 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820410384 1441869623 /nfs/dbraw/zinc/86/96/23/1441869623.db2.gz FBPPQDRMWYVTNX-CVEARBPZSA-N 0 0 378.480 3.115 20 10 GGCDRN O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)ccc1N1CCCCC1 ZINC000738358244 1443397717 /nfs/dbraw/zinc/39/77/17/1443397717.db2.gz CRURZWZFUIKVJE-UHFFFAOYSA-N 0 0 393.451 3.055 20 10 GGCDRN COc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000821831500 1443897855 /nfs/dbraw/zinc/89/78/55/1443897855.db2.gz BDZDQZDUEAGDIR-HNNXBMFYSA-N 0 0 378.480 3.195 20 10 GGCDRN COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737099625 1443945301 /nfs/dbraw/zinc/94/53/01/1443945301.db2.gz ODYJGCNIQMHSQW-INIZCTEOSA-N 0 0 378.480 3.149 20 10 GGCDRN Cc1cc(Br)cc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1O ZINC000826256497 1446532192 /nfs/dbraw/zinc/53/21/92/1446532192.db2.gz MFYVHTMALWYONK-UHFFFAOYSA-N 0 0 388.269 3.275 20 10 GGCDRN COc1cc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(O)cc1C ZINC000826179543 1447247450 /nfs/dbraw/zinc/24/74/50/1447247450.db2.gz SNWUHVZGNIQDLW-UHFFFAOYSA-N 0 0 377.448 3.179 20 10 GGCDRN Oc1ccc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nn[n-]n1 ZINC000738401215 1449657543 /nfs/dbraw/zinc/65/75/43/1449657543.db2.gz QCIJSAGFMAMXCT-UHFFFAOYSA-N 0 0 375.885 3.249 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccncc1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000848640045 955774919 /nfs/dbraw/zinc/77/49/19/955774919.db2.gz MPUTWOAQNLBOTQ-JOCHJYFZSA-N 0 0 387.483 3.430 20 10 GGCDRN O=C([O-])/C=C/c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000013272667 957006840 /nfs/dbraw/zinc/00/68/40/957006840.db2.gz AGPLOZLIUWCAPY-CSKARUKUSA-N 0 0 381.432 3.405 20 10 GGCDRN Cc1ccc(C[N@@H+]2CCC[C@@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001594360150 958439869 /nfs/dbraw/zinc/43/98/69/958439869.db2.gz KRVIOGDTWVOQKV-MRXNPFEDSA-N 0 0 392.496 3.234 20 10 GGCDRN Cc1ccc(C[N@@H+]2CCC[C@H](CN(CC(=O)[O-])C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001594360149 958440219 /nfs/dbraw/zinc/44/02/19/958440219.db2.gz KRVIOGDTWVOQKV-INIZCTEOSA-N 0 0 392.496 3.234 20 10 GGCDRN C[C@@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC001592604852 978547572 /nfs/dbraw/zinc/54/75/72/978547572.db2.gz OWKAJCBDGUADMK-KRWDZBQOSA-N 0 0 386.467 3.385 20 10 GGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000756346074 978698654 /nfs/dbraw/zinc/69/86/54/978698654.db2.gz AUYIEPNLKGPIGZ-GOSISDBHSA-N 0 0 394.393 3.458 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819162409 978924537 /nfs/dbraw/zinc/92/45/37/978924537.db2.gz ASDCPPIJBPJWSL-NRFANRHFSA-N 0 0 378.476 3.362 20 10 GGCDRN O=C([O-])c1cccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000842578816 979319568 /nfs/dbraw/zinc/31/95/68/979319568.db2.gz IPSNEINEGVJJSF-UHFFFAOYSA-N 0 0 379.460 3.169 20 10 GGCDRN O=C([O-])c1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000842578642 979319703 /nfs/dbraw/zinc/31/97/03/979319703.db2.gz CZYFNRWBZAVACN-UHFFFAOYSA-N 0 0 379.460 3.169 20 10 GGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001595278241 980309734 /nfs/dbraw/zinc/30/97/34/980309734.db2.gz CAULUIWTKHEJNW-QGCDCVKKSA-N 0 0 398.503 3.421 20 10 GGCDRN O=C([O-])CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000901680788 980444397 /nfs/dbraw/zinc/44/43/97/980444397.db2.gz GHCPWSSEDGIBCS-KRWDZBQOSA-N 0 0 391.468 3.041 20 10 GGCDRN O=C([O-])C[C@]1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCOC1 ZINC000901837376 980556399 /nfs/dbraw/zinc/55/63/99/980556399.db2.gz XCLCBPGKVYLOLV-GOSISDBHSA-N 0 0 397.313 3.163 20 10 GGCDRN CC[C@@](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)(C(=O)[O-])c1ccccc1 ZINC000901896925 980608541 /nfs/dbraw/zinc/60/85/41/980608541.db2.gz IEGYQKWOENIGRU-QHCPKHFHSA-N 0 0 393.487 3.462 20 10 GGCDRN O=C([O-])C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C1CCOCC1 ZINC000901984502 980665289 /nfs/dbraw/zinc/66/52/89/980665289.db2.gz SMZRTPGQWWEFAY-UHFFFAOYSA-N 0 0 380.488 3.315 20 10 GGCDRN O=C([O-])[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904031736 981082722 /nfs/dbraw/zinc/08/27/22/981082722.db2.gz QRQYAAYYXIUGSI-SFTDATJTSA-N 0 0 380.488 3.361 20 10 GGCDRN Cc1nc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)ccc1C(=O)[O-] ZINC000910300083 981857047 /nfs/dbraw/zinc/85/70/47/981857047.db2.gz VNPPDCPGJDJLIV-UHFFFAOYSA-N 0 0 380.492 3.232 20 10 GGCDRN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000910344019 981881277 /nfs/dbraw/zinc/88/12/77/981881277.db2.gz NLWIZQXOHGIBJZ-IQBZNYMQSA-N 0 0 381.432 3.403 20 10 GGCDRN Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000911262302 982319882 /nfs/dbraw/zinc/31/98/82/982319882.db2.gz PMEQFEBKZYPAEJ-UHFFFAOYSA-N 0 0 393.487 3.478 20 10 GGCDRN C[N@H+](CCC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)C1CCCCC1 ZINC000911359989 982377673 /nfs/dbraw/zinc/37/76/73/982377673.db2.gz JNAQCHQBMHROME-UHFFFAOYSA-N 0 0 382.888 3.113 20 10 GGCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3ccccc3CCC(=O)[O-])c2)CC1 ZINC000911552079 982493218 /nfs/dbraw/zinc/49/32/18/982493218.db2.gz AWLXZVWHUFKGGV-UHFFFAOYSA-N 0 0 381.476 3.098 20 10 GGCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)c2)CC1 ZINC000911553335 982495597 /nfs/dbraw/zinc/49/55/97/982495597.db2.gz VNQCSJWPWSKSNH-UHFFFAOYSA-N 0 0 387.867 3.432 20 10 GGCDRN Cc1[nH]c(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1C(=O)[O-] ZINC001599962709 985821652 /nfs/dbraw/zinc/82/16/52/985821652.db2.gz CPFCXAWXJOWXRM-STQMWFEESA-N 0 0 375.444 3.064 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cc(C(=O)[O-])ccc1O ZINC001594542168 986179885 /nfs/dbraw/zinc/17/98/85/986179885.db2.gz FEIACNDFYXCONR-HZPDHXFCSA-N 0 0 384.476 3.162 20 10 GGCDRN C[C@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001594578295 986431546 /nfs/dbraw/zinc/43/15/46/986431546.db2.gz YPTUNMZXNBWBPT-VVRDOHNDSA-N 0 0 378.488 3.418 20 10 GGCDRN CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)c(O)c1 ZINC001597101532 986718413 /nfs/dbraw/zinc/71/84/13/986718413.db2.gz XOJVRSVMPZRLOH-MRXNPFEDSA-N 0 0 380.238 3.469 20 10 GGCDRN CCc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001597458151 987880648 /nfs/dbraw/zinc/88/06/48/987880648.db2.gz DXWHXDOLRIMKNH-UHFFFAOYSA-N 0 0 396.491 3.021 20 10 GGCDRN CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001597458810 987882184 /nfs/dbraw/zinc/88/21/84/987882184.db2.gz VHDPOAHSBKGTLH-FQEVSTJZSA-N 0 0 398.507 3.438 20 10 GGCDRN CSCC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795072 988083228 /nfs/dbraw/zinc/08/32/28/988083228.db2.gz XGBVSPOUBTUAKQ-WFASDCNBSA-N 0 0 386.477 3.278 20 10 GGCDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001590292436 989712002 /nfs/dbraw/zinc/71/20/02/989712002.db2.gz ZYQNBJIBCBMXLU-JNSHFYNHSA-N 0 0 398.887 3.236 20 10 GGCDRN CC(C)(C[C@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1)C(N)=O ZINC001590654548 990347133 /nfs/dbraw/zinc/34/71/33/990347133.db2.gz PAPFDCUVMMIZMA-CQSZACIVSA-N 0 0 384.476 3.357 20 10 GGCDRN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)[NH+](C)C)cc1 ZINC001598313358 991288546 /nfs/dbraw/zinc/28/85/46/991288546.db2.gz JZSNVWWJJVHIHR-GOSISDBHSA-N 0 0 388.443 3.014 20 10 GGCDRN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(C(=O)[O-])cc2F)[NH+](C)C)cc1 ZINC001598313360 991288826 /nfs/dbraw/zinc/28/88/26/991288826.db2.gz JZSNVWWJJVHIHR-SFHVURJKSA-N 0 0 388.443 3.014 20 10 GGCDRN COc1ccc(N(C)CC[N@H+](C)Cc2oc(Br)cc2C(=O)[O-])cc1 ZINC001599584489 993594330 /nfs/dbraw/zinc/59/43/30/993594330.db2.gz UONRJZFFKSZMFO-UHFFFAOYSA-N 0 0 397.269 3.317 20 10 GGCDRN COc1ccc(N2CC[C@@H]([NH2+]Cc3ccnc4c(C(=O)[O-])cccc34)C2)cc1 ZINC001599585597 993609102 /nfs/dbraw/zinc/60/91/02/993609102.db2.gz GCZXNGGKHMHJTM-MRXNPFEDSA-N 0 0 377.444 3.310 20 10 GGCDRN COc1ccc(N2CC[NH+](Cc3ccnc4c(C(=O)[O-])cccc34)CC2)cc1F ZINC001599586299 993618306 /nfs/dbraw/zinc/61/83/06/993618306.db2.gz OUGVJSIQBIISDW-UHFFFAOYSA-N 0 0 395.434 3.403 20 10 GGCDRN COc1ccc(O)c(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])c1 ZINC001599598667 993783577 /nfs/dbraw/zinc/78/35/77/993783577.db2.gz PJPDSFVSZUXTLL-MRXNPFEDSA-N 0 0 392.249 3.175 20 10 GGCDRN COc1ccc(O)c(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])c1 ZINC001599598666 993783974 /nfs/dbraw/zinc/78/39/74/993783974.db2.gz PJPDSFVSZUXTLL-INIZCTEOSA-N 0 0 392.249 3.175 20 10 GGCDRN CN1CCN(c2ccc(C[N@H+](CCC(=O)[O-])Cc3ccccc3)cc2F)CC1 ZINC001598622594 994029160 /nfs/dbraw/zinc/02/91/60/994029160.db2.gz RWXDJCWRCGAHGB-UHFFFAOYSA-N 0 0 385.483 3.054 20 10 GGCDRN C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cc(C(=O)[O-])ccc1O ZINC001593217600 994274691 /nfs/dbraw/zinc/27/46/91/994274691.db2.gz ARIFZPQEDZWOHC-INIZCTEOSA-N 0 0 396.487 3.365 20 10 GGCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593218371 994285090 /nfs/dbraw/zinc/28/50/90/994285090.db2.gz HWEDESWVHQLALD-XEZPLFJOSA-N 0 0 378.469 3.387 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593245684 994438158 /nfs/dbraw/zinc/43/81/58/994438158.db2.gz AMBYDZPRHMIZDY-BXUZGUMPSA-N 0 0 399.365 3.200 20 10 GGCDRN C[C@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593245685 994438410 /nfs/dbraw/zinc/43/84/10/994438410.db2.gz AMBYDZPRHMIZDY-FZMZJTMJSA-N 0 0 399.365 3.200 20 10 GGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593246427 994451741 /nfs/dbraw/zinc/45/17/41/994451741.db2.gz LGNMTOASAOFHHX-MGPLVRAMSA-N 0 0 380.238 3.237 20 10 GGCDRN C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593246426 994451842 /nfs/dbraw/zinc/45/18/42/994451842.db2.gz LGNMTOASAOFHHX-HWPZZCPQSA-N 0 0 380.238 3.237 20 10 GGCDRN C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593257438 994528102 /nfs/dbraw/zinc/52/81/02/994528102.db2.gz NQLWSZLBJCLDEQ-ZIAGYGMSSA-N 0 0 378.469 3.388 20 10 GGCDRN C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593257435 994528876 /nfs/dbraw/zinc/52/88/76/994528876.db2.gz NQLWSZLBJCLDEQ-KBPBESRZSA-N 0 0 378.469 3.388 20 10 GGCDRN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC001599656361 994587191 /nfs/dbraw/zinc/58/71/91/994587191.db2.gz VJJGUZABTFGQJI-FQEVSTJZSA-N 0 0 375.396 3.222 20 10 GGCDRN C[C@@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593269102 994598204 /nfs/dbraw/zinc/59/82/04/994598204.db2.gz ZCPRVKHHFKHWSV-GFCCVEGCSA-N 0 0 397.880 3.258 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593297858 994706638 /nfs/dbraw/zinc/70/66/38/994706638.db2.gz AZGARDSWTQKKEM-QFBILLFUSA-N 0 0 386.467 3.084 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593305155 994760425 /nfs/dbraw/zinc/76/04/25/994760425.db2.gz XKCDGIXJISVBST-BFUOFWGJSA-N 0 0 384.432 3.059 20 10 GGCDRN C[C@H](Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1cc(C(=O)[O-])ccc1O ZINC001593366058 995046417 /nfs/dbraw/zinc/04/64/17/995046417.db2.gz PXHLFBAUDANSPX-AWEZNQCLSA-N 0 0 384.476 3.393 20 10 GGCDRN COc1cc(C)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1OC ZINC001599390984 997035704 /nfs/dbraw/zinc/03/57/04/997035704.db2.gz FQLIMRFYLPRAIG-UHFFFAOYSA-N 0 0 379.840 3.458 20 10 GGCDRN COc1cc(C)cc(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])c1O ZINC001599392892 997070844 /nfs/dbraw/zinc/07/08/44/997070844.db2.gz VMYQOADJQLUZFD-OAHLLOKOSA-N 0 0 394.265 3.257 20 10 GGCDRN COc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c(O)cc1C ZINC001599408503 997377537 /nfs/dbraw/zinc/37/75/37/997377537.db2.gz ZMKKYWVRPMMNOU-JKSUJKDBSA-N 0 0 377.387 3.288 20 10 GGCDRN COc1cc(C[NH2+][C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c(O)c(C(C)(C)C)c1 ZINC001599414708 997485389 /nfs/dbraw/zinc/48/53/89/997485389.db2.gz NLFXKSIELUTGQU-SFHVURJKSA-N 0 0 389.448 3.328 20 10 GGCDRN COc1ccc([C@H]([NH2+]Cc2cc(Br)ccc2O)C(=O)[O-])c(OC)c1 ZINC001599527818 997593900 /nfs/dbraw/zinc/59/39/00/997593900.db2.gz RELLNTRWTTYXSG-INIZCTEOSA-N 0 0 396.237 3.087 20 10 GGCDRN COC1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])[C@H]3CCC[C@@H](OC)C3)cc2)CC1 ZINC001599126689 997864622 /nfs/dbraw/zinc/86/46/22/997864622.db2.gz MDLYDMRWXKCKTJ-WMQCIHAUSA-N 0 0 390.524 3.050 20 10 GGCDRN COc1c(O)c(CN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)ccc1[N+](=O)[O-] ZINC001599344079 997970427 /nfs/dbraw/zinc/97/04/27/997970427.db2.gz AYFDZPOMJGATIQ-GFCCVEGCSA-N 0 0 393.421 3.109 20 10 GGCDRN COc1cc(O)c(C[NH2+][C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1OC ZINC001599446445 998017136 /nfs/dbraw/zinc/01/71/36/998017136.db2.gz UZQBURNYTQAWKV-CRAIPNDOSA-N 0 0 385.460 3.462 20 10 GGCDRN COc1ccc(C[NH+]2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c(O)c1OC ZINC001599562582 998226855 /nfs/dbraw/zinc/22/68/55/998226855.db2.gz GWTATVJZIVQFED-UHFFFAOYSA-N 0 0 392.477 3.019 20 10 GGCDRN C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001594179787 998696796 /nfs/dbraw/zinc/69/67/96/998696796.db2.gz QGYMWIHDKGQCGM-BODMPHMZSA-N 0 0 380.916 3.489 20 10 GGCDRN C[C@@H]1[C@H](CC(=O)[O-])CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001594179790 998697058 /nfs/dbraw/zinc/69/70/58/998697058.db2.gz QGYMWIHDKGQCGM-NONVJHHQSA-N 0 0 380.916 3.489 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1F ZINC000756353367 1126107378 /nfs/dbraw/zinc/10/73/78/1126107378.db2.gz ACJCMGHOWYEEQP-SFHVURJKSA-N 0 0 389.427 3.366 20 10 GGCDRN O=C([O-])[C@H](Cc1ccc2ccccc2c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000819162813 1126111134 /nfs/dbraw/zinc/11/11/34/1126111134.db2.gz FDLWICBYNNAXMG-QHCPKHFHSA-N 0 0 390.483 3.462 20 10 GGCDRN O=C([O-])[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841794047 1126111599 /nfs/dbraw/zinc/11/15/99/1126111599.db2.gz SFXSSNOFNCLAJY-SFHVURJKSA-N 0 0 399.447 3.076 20 10 GGCDRN Cc1ccc(C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])cc1C ZINC000841822144 1126112143 /nfs/dbraw/zinc/11/21/43/1126112143.db2.gz MFJHZVNFFQAHIC-HXUWFJFHSA-N 0 0 386.467 3.065 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2ncccn2)C(=O)[O-])cc1 ZINC000844293869 1126112375 /nfs/dbraw/zinc/11/23/75/1126112375.db2.gz RITAMAINHYGOEX-OAQYLSRUSA-N 0 0 390.487 3.289 20 10 GGCDRN COc1ccc(C[NH2+][C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])cc1Cn1cccn1 ZINC000871874430 1126117155 /nfs/dbraw/zinc/11/71/55/1126117155.db2.gz NUVMVHLEBIGPKS-NRFANRHFSA-N 0 0 393.487 3.342 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000904052902 1126132321 /nfs/dbraw/zinc/13/23/21/1126132321.db2.gz RXSGBDGYYKFNES-OAQYLSRUSA-N 0 0 378.476 3.222 20 10 GGCDRN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccc2c(c1)OCCO2 ZINC000002634510 209372951 /nfs/dbraw/zinc/37/29/51/209372951.db2.gz CYIGIVBXYKORPI-UHFFFAOYSA-N 0 0 396.468 3.474 20 10 GGCDRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000359885269 209199731 /nfs/dbraw/zinc/19/97/31/209199731.db2.gz ZFZQFNKOWALZML-FQEVSTJZSA-N 0 0 379.460 3.394 20 10 GGCDRN CC[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000229567901 209186919 /nfs/dbraw/zinc/18/69/19/209186919.db2.gz KIKIDTHQCTZXNI-CTNGQTDRSA-N 0 0 379.504 3.198 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000069208387 211035468 /nfs/dbraw/zinc/03/54/68/211035468.db2.gz NKDONKIKAZZSLK-AWEZNQCLSA-N 0 0 375.419 3.338 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000027157678 210512028 /nfs/dbraw/zinc/51/20/28/210512028.db2.gz IJTMIGWYTMVRMV-OAQYLSRUSA-N 0 0 378.472 3.417 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Cn3cnc4cc(C)c(C)cc43)CC2)cc1 ZINC000021585645 210385431 /nfs/dbraw/zinc/38/54/31/210385431.db2.gz BELMKAXIRDXBIM-UHFFFAOYSA-N 0 0 378.476 3.011 20 10 GGCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000048374278 132433588 /nfs/dbraw/zinc/43/35/88/132433588.db2.gz KHCJSSAYGMAUAX-LOXVZWDBSA-N 0 0 395.547 3.221 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(-c2ccc(O)cc2)n1 ZINC000058305131 136155293 /nfs/dbraw/zinc/15/52/93/136155293.db2.gz YZKILYAVWFZIGW-UHFFFAOYSA-N 0 0 395.484 3.282 20 10 GGCDRN CCc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000065066660 136159053 /nfs/dbraw/zinc/15/90/53/136159053.db2.gz VIKVKJLDKOVDHT-STQMWFEESA-N 0 0 377.485 3.388 20 10 GGCDRN CCc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000068426828 136165127 /nfs/dbraw/zinc/16/51/27/136165127.db2.gz VIKVKJLDKOVDHT-BETUJISGSA-N 0 0 377.485 3.388 20 10 GGCDRN CN1CCCc2cc(CNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)ccc21 ZINC000058218210 536396434 /nfs/dbraw/zinc/39/64/34/536396434.db2.gz BEECRWYRSXUMJU-OAQYLSRUSA-N 0 0 393.487 3.117 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000039561437 536700176 /nfs/dbraw/zinc/70/01/76/536700176.db2.gz KOKJZKMQYCQEHE-SFHVURJKSA-N 0 0 379.504 3.185 20 10 GGCDRN CCSc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000008505957 564249956 /nfs/dbraw/zinc/24/99/56/564249956.db2.gz AQDORHZUABRAMU-UHFFFAOYSA-N 0 0 382.580 3.467 20 10 GGCDRN O=S(=O)(Nc1ccc(Br)cc1F)c1cccc2nsnc21 ZINC000014255216 564280584 /nfs/dbraw/zinc/28/05/84/564280584.db2.gz OLOMADMOJOGOBE-UHFFFAOYSA-N 0 0 388.243 3.394 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccnc1Br ZINC000120177940 564308081 /nfs/dbraw/zinc/30/80/81/564308081.db2.gz AMHITIJLEIYNRJ-UHFFFAOYSA-N 0 0 391.269 3.002 20 10 GGCDRN COCCN(C(C)=O)c1nc(CN(C)c2ccc(OC)c(Cl)c2)cs1 ZINC000121857472 564389657 /nfs/dbraw/zinc/38/96/57/564389657.db2.gz BMJHBCBNDRXDRJ-UHFFFAOYSA-N 0 0 383.901 3.441 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000124398948 564481338 /nfs/dbraw/zinc/48/13/38/564481338.db2.gz LISHJENMCYIVII-UHFFFAOYSA-N 0 0 384.860 3.274 20 10 GGCDRN O=C(CSc1nccs1)Nc1ccc(I)cc1 ZINC000047239650 564516017 /nfs/dbraw/zinc/51/60/17/564516017.db2.gz KWYONBRQTHGXFD-UHFFFAOYSA-N 0 0 376.244 3.479 20 10 GGCDRN CC(C)Oc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000048331677 564536404 /nfs/dbraw/zinc/53/64/04/564536404.db2.gz NORJLAFSHQWBHT-UHFFFAOYSA-N 0 0 380.539 3.142 20 10 GGCDRN COC(=O)c1sc(N2CCCN(c3ccc(OC)cc3)CC2)nc1Cl ZINC000053575375 564591012 /nfs/dbraw/zinc/59/10/12/564591012.db2.gz LAVLRGXRGYAAHA-UHFFFAOYSA-N 0 0 381.885 3.308 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1Br ZINC000054284904 564602307 /nfs/dbraw/zinc/60/23/07/564602307.db2.gz NQPKGOOJZGBCJT-UHFFFAOYSA-N 0 0 393.256 3.355 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C ZINC000055668426 564628503 /nfs/dbraw/zinc/62/85/03/564628503.db2.gz WFJMXMKNZVASBK-UHFFFAOYSA-N 0 0 386.470 3.005 20 10 GGCDRN Cn1cc(C(=O)N2CCc3cc(Br)ccc32)c(-c2cccnc2)n1 ZINC000065899138 564751974 /nfs/dbraw/zinc/75/19/74/564751974.db2.gz ONAVWBWMSHMBBC-UHFFFAOYSA-N 0 0 383.249 3.448 20 10 GGCDRN OCC1CCN(c2ccc(CNc3ncc(Br)cn3)cc2)CC1 ZINC000067368624 564790297 /nfs/dbraw/zinc/79/02/97/564790297.db2.gz OSOVEDRNCNHMJC-UHFFFAOYSA-N 0 0 377.286 3.060 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(Cl)c(Cl)[nH]1 ZINC000136212517 564847024 /nfs/dbraw/zinc/84/70/24/564847024.db2.gz RNVSOOFNTOZVOF-UHFFFAOYSA-N 0 0 382.291 3.460 20 10 GGCDRN CCOc1cccc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136967622 564857535 /nfs/dbraw/zinc/85/75/35/564857535.db2.gz VQWVJSHBNXQFMO-MRXNPFEDSA-N 0 0 393.281 3.212 20 10 GGCDRN Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000072306697 564863027 /nfs/dbraw/zinc/86/30/27/564863027.db2.gz NQODYERALCOUBC-LLVKDONJSA-N 0 0 388.269 3.466 20 10 GGCDRN COc1cc(NC(=O)NCCCSc2nccs2)ccc1NC(C)=O ZINC000079059429 564865790 /nfs/dbraw/zinc/86/57/90/564865790.db2.gz VNHPSOVYQNZPFO-UHFFFAOYSA-N 0 0 380.495 3.414 20 10 GGCDRN CS(=O)(=O)CCCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000102972124 564940284 /nfs/dbraw/zinc/94/02/84/564940284.db2.gz FBZJAHSHSDENKA-MRXNPFEDSA-N 0 0 380.535 3.256 20 10 GGCDRN CS(=O)(=O)CCCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000102972123 564940353 /nfs/dbraw/zinc/94/03/53/564940353.db2.gz FBZJAHSHSDENKA-INIZCTEOSA-N 0 0 380.535 3.256 20 10 GGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CSc2nncs2)cc1 ZINC000103413557 564947414 /nfs/dbraw/zinc/94/74/14/564947414.db2.gz JCLBQEOUSTUJET-UHFFFAOYSA-N 0 0 390.456 3.287 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCn1ccnc1C ZINC000266702128 565089021 /nfs/dbraw/zinc/08/90/21/565089021.db2.gz GVSOILRGBZQJFN-UHFFFAOYSA-N 0 0 395.301 3.281 20 10 GGCDRN CCCc1nc(C)c(CNC(=O)NCc2cccc(Br)c2O)o1 ZINC000292000107 565091242 /nfs/dbraw/zinc/09/12/42/565091242.db2.gz ARJWSMKSGUTZCV-UHFFFAOYSA-N 0 0 382.258 3.403 20 10 GGCDRN Cc1cnc(Br)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000292112918 565098534 /nfs/dbraw/zinc/09/85/34/565098534.db2.gz SWNQQQQZBYGJOS-JTQLQIEISA-N 0 0 380.242 3.316 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2ccc(Br)cc2)CC1 ZINC000156655416 565099524 /nfs/dbraw/zinc/09/95/24/565099524.db2.gz RUUWGZIEKJBQFS-UHFFFAOYSA-N 0 0 376.250 3.251 20 10 GGCDRN Cn1cc(Br)c(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000292990723 565144567 /nfs/dbraw/zinc/14/45/67/565144567.db2.gz RWUVKLUJMDWONG-CQSZACIVSA-N 0 0 380.286 3.069 20 10 GGCDRN COC(=O)Cc1csc(NC(=O)CSc2ncc(C(C)(C)C)s2)n1 ZINC000268312057 565148264 /nfs/dbraw/zinc/14/82/64/565148264.db2.gz KJGOEYSJCNIRRG-UHFFFAOYSA-N 0 0 385.536 3.343 20 10 GGCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000268363872 565149268 /nfs/dbraw/zinc/14/92/68/565149268.db2.gz XHQRMBXLITVJAU-SNVBAGLBSA-N 0 0 399.563 3.207 20 10 GGCDRN Cn1cnc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)c1Cl ZINC000158144684 565159119 /nfs/dbraw/zinc/15/91/19/565159119.db2.gz PTUNRXAZCAXUPA-UHFFFAOYSA-N 0 0 383.901 3.303 20 10 GGCDRN Cc1cc(Cl)cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000268609853 565159854 /nfs/dbraw/zinc/15/98/54/565159854.db2.gz LUVLFLSFVKSZDC-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCCc1c[nH]nn1 ZINC000158197207 565160303 /nfs/dbraw/zinc/16/03/03/565160303.db2.gz UGPRFNPKLZFVEX-UHFFFAOYSA-N 0 0 381.274 3.034 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccncc1 ZINC000268662756 565162186 /nfs/dbraw/zinc/16/21/86/565162186.db2.gz SLMSVZRMSBVSJW-UHFFFAOYSA-N 0 0 378.270 3.324 20 10 GGCDRN CC[C@H](O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000268712979 565163466 /nfs/dbraw/zinc/16/34/66/565163466.db2.gz VWMMHOIYRWTANH-PBBNAPBQSA-N 0 0 398.575 3.007 20 10 GGCDRN CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000184896004 565163909 /nfs/dbraw/zinc/16/39/09/565163909.db2.gz GJZKPCDGJJXRAJ-QMMMGPOBSA-N 0 0 394.107 3.092 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000269023254 565174858 /nfs/dbraw/zinc/17/48/58/565174858.db2.gz JDMQXZWKGGGAOC-CQSZACIVSA-N 0 0 393.285 3.487 20 10 GGCDRN C[C@]1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOC1 ZINC000270155577 565210406 /nfs/dbraw/zinc/21/04/06/565210406.db2.gz RYWHEXRREFCDKU-QFSNBGPKSA-N 0 0 396.559 3.025 20 10 GGCDRN CC(=O)C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000270917870 565232320 /nfs/dbraw/zinc/23/23/20/565232320.db2.gz DVAUSLHKIOWINY-UXEDPAHQSA-N 0 0 396.559 3.213 20 10 GGCDRN CC(=O)C[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000270917868 565232873 /nfs/dbraw/zinc/23/28/73/565232873.db2.gz DVAUSLHKIOWINY-HKLRHMNMSA-N 0 0 396.559 3.213 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000294875158 565233279 /nfs/dbraw/zinc/23/32/79/565233279.db2.gz FBTPQGDWZWLKFR-MRVPVSSYSA-N 0 0 386.681 3.158 20 10 GGCDRN C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082574 565237991 /nfs/dbraw/zinc/23/79/91/565237991.db2.gz OARXYDFCKJUCDY-MFKMUULPSA-N 0 0 383.279 3.279 20 10 GGCDRN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000186540353 565267182 /nfs/dbraw/zinc/26/71/82/565267182.db2.gz ZEAAZMPOZJBPNQ-MPSDLYAZSA-N 0 0 399.148 3.335 20 10 GGCDRN CC(C)OCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000273252272 565314245 /nfs/dbraw/zinc/31/42/45/565314245.db2.gz DJXHCNFQCSQFIN-KAMYIIQDSA-N 0 0 398.575 3.271 20 10 GGCDRN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444090 565320867 /nfs/dbraw/zinc/32/08/67/565320867.db2.gz ZKFZAIGJZYKXEO-SFYZADRCSA-N 0 0 394.107 3.092 20 10 GGCDRN COCCCn1cc(C)c(NC(=O)NCc2cccc(Br)c2O)n1 ZINC000296703843 565331266 /nfs/dbraw/zinc/33/12/66/565331266.db2.gz BAVITZKLWXHNEZ-UHFFFAOYSA-N 0 0 397.273 3.018 20 10 GGCDRN Cc1csc([C@H](NC(=O)NCCc2ccc(O)c(O)c2)C(F)(F)F)n1 ZINC000296896113 565344376 /nfs/dbraw/zinc/34/43/76/565344376.db2.gz HGCCUURJMDZVIY-LBPRGKRZSA-N 0 0 375.372 3.008 20 10 GGCDRN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1F ZINC000187606142 565345775 /nfs/dbraw/zinc/34/57/75/565345775.db2.gz GLLGKFMSVKUGCS-UHFFFAOYSA-N 0 0 384.860 3.014 20 10 GGCDRN CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000374788471 565354438 /nfs/dbraw/zinc/35/44/38/565354438.db2.gz OTSJQZAJZZEXJD-LBPRGKRZSA-N 0 0 393.285 3.216 20 10 GGCDRN Nc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000297237584 565362955 /nfs/dbraw/zinc/36/29/55/565362955.db2.gz PKVJJKBIZKMZMD-UHFFFAOYSA-N 0 0 389.293 3.396 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Br)nc1 ZINC000166740460 565376643 /nfs/dbraw/zinc/37/66/43/565376643.db2.gz QNZZDIFVMSZSPA-UHFFFAOYSA-N 0 0 391.269 3.002 20 10 GGCDRN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000274749744 565379669 /nfs/dbraw/zinc/37/96/69/565379669.db2.gz GJMYYYPLOYLARK-SJCJKPOMSA-N 0 0 376.298 3.392 20 10 GGCDRN Cc1cc(Br)cc([C@H](C)Nc2cnn(CC(=O)NC3CC3)c2)c1O ZINC000275309362 565402486 /nfs/dbraw/zinc/40/24/86/565402486.db2.gz JFDXZPWTTACEQB-NSHDSACASA-N 0 0 393.285 3.111 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000188520625 565406589 /nfs/dbraw/zinc/40/65/89/565406589.db2.gz JWXVRDCFULOANZ-SWLSCSKDSA-N 0 0 385.302 3.237 20 10 GGCDRN CSc1nnc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000275704259 565424154 /nfs/dbraw/zinc/42/41/54/565424154.db2.gz MAXIYCVOZDBHHQ-UHFFFAOYSA-N 0 0 379.555 3.446 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000189013139 565437740 /nfs/dbraw/zinc/43/77/40/565437740.db2.gz ZDWBHTNEXVNXDK-SFYZADRCSA-N 0 0 394.107 3.045 20 10 GGCDRN COc1ccc(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)cc1 ZINC000301115353 565464489 /nfs/dbraw/zinc/46/44/89/565464489.db2.gz VDQOTBQHCYRQLA-UHFFFAOYSA-N 0 0 393.241 3.088 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2c1c(Br)nn2C ZINC000301310066 565477709 /nfs/dbraw/zinc/47/77/09/565477709.db2.gz YRKDQJVFJDYPFM-UHFFFAOYSA-N 0 0 375.274 3.112 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277169635 565479742 /nfs/dbraw/zinc/47/97/42/565479742.db2.gz RTVDGPCLSSWKIR-JTQLQIEISA-N 0 0 384.841 3.208 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000277245259 565484621 /nfs/dbraw/zinc/48/46/21/565484621.db2.gz JMQXKVFUXRGKCF-QGZVFWFLSA-N 0 0 377.282 3.301 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000277245250 565485020 /nfs/dbraw/zinc/48/50/20/565485020.db2.gz JMQXKVFUXRGKCF-KRWDZBQOSA-N 0 0 377.282 3.301 20 10 GGCDRN Cc1noc(C)c1C[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000277272484 565485691 /nfs/dbraw/zinc/48/56/91/565485691.db2.gz AFBRLJXGAHZWLZ-SECBINFHSA-N 0 0 382.258 3.190 20 10 GGCDRN Cc1noc(C)c1C[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000277272489 565485926 /nfs/dbraw/zinc/48/59/26/565485926.db2.gz AFBRLJXGAHZWLZ-VIFPVBQESA-N 0 0 382.258 3.190 20 10 GGCDRN Cc1noc(C)c1[C@H](C)CNC(=O)NCc1cccc(Br)c1O ZINC000277298120 565488096 /nfs/dbraw/zinc/48/80/96/565488096.db2.gz BWRJKXJWRPDLLH-SECBINFHSA-N 0 0 382.258 3.362 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)c1cc2c([nH]c1=O)CCCC2 ZINC000277406380 565494542 /nfs/dbraw/zinc/49/45/42/565494542.db2.gz BRPRMRJMNUATLP-UHFFFAOYSA-N 0 0 377.238 3.064 20 10 GGCDRN CCCc1noc(CCCC(=O)NCc2cccc(Br)c2O)n1 ZINC000277432171 565497153 /nfs/dbraw/zinc/49/71/53/565497153.db2.gz DTFAZEVRLLROCW-UHFFFAOYSA-N 0 0 382.258 3.129 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)c1csc([C@@H]2CCCO2)n1 ZINC000277453812 565497715 /nfs/dbraw/zinc/49/77/15/565497715.db2.gz GKDYAUFEVHWIPT-LBPRGKRZSA-N 0 0 383.267 3.393 20 10 GGCDRN CNS(=O)(=O)c1ccc(Sc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000301616510 565499918 /nfs/dbraw/zinc/49/99/18/565499918.db2.gz CCDBMXBLBPUICP-UHFFFAOYSA-N 0 0 387.508 3.408 20 10 GGCDRN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1cccc(Br)c1O ZINC000277561373 565506498 /nfs/dbraw/zinc/50/64/98/565506498.db2.gz PMLJCULIWRJLNX-UHFFFAOYSA-N 0 0 388.212 3.222 20 10 GGCDRN O=C(CCCNC(=O)c1ccsc1)NCc1cccc(Br)c1O ZINC000277582229 565507552 /nfs/dbraw/zinc/50/75/52/565507552.db2.gz RNMFYKIZNMGODM-UHFFFAOYSA-N 0 0 397.294 3.043 20 10 GGCDRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277582104 565507920 /nfs/dbraw/zinc/50/79/20/565507920.db2.gz RMJDLCIIMJZACV-GXTWGEPZSA-N 0 0 397.313 3.056 20 10 GGCDRN O=C(Nc1nncs1)c1ccc(NCCCSc2nccs2)nc1 ZINC000301791028 565510571 /nfs/dbraw/zinc/51/05/71/565510571.db2.gz QQVZUPJOVMZHJE-UHFFFAOYSA-N 0 0 378.508 3.236 20 10 GGCDRN COc1ccc(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)cc1 ZINC000301859842 565514373 /nfs/dbraw/zinc/51/43/73/565514373.db2.gz DHXVGZOTXAUUEN-UHFFFAOYSA-N 0 0 393.241 3.088 20 10 GGCDRN Cc1cnc([C@@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000277746497 565517229 /nfs/dbraw/zinc/51/72/29/565517229.db2.gz UZMJQKBAKIEOCK-JTQLQIEISA-N 0 0 379.869 3.378 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)c2nc(C3CC3)ncc2Br)cc1 ZINC000277781767 565520152 /nfs/dbraw/zinc/52/01/52/565520152.db2.gz MMEOYEMSNGUURM-UHFFFAOYSA-N 0 0 389.297 3.455 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC)cn1 ZINC000278395482 565555662 /nfs/dbraw/zinc/55/56/62/565555662.db2.gz NHBSJCIXKFFOKI-UHFFFAOYSA-N 0 0 394.269 3.290 20 10 GGCDRN CN(Cc1ccccc1O)c1ncc(Cn2cc(Br)cn2)s1 ZINC000302836857 565560433 /nfs/dbraw/zinc/56/04/33/565560433.db2.gz WZQSRSNJUHACKJ-UHFFFAOYSA-N 0 0 379.283 3.492 20 10 GGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000279187743 565600388 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375.881 3.418 20 10 GGCDRN O=C(c1ncccc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000193649783 565768637 /nfs/dbraw/zinc/76/86/37/565768637.db2.gz WEBXKWRDADPJQC-AWEZNQCLSA-N 0 0 391.265 3.371 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCOC3)cc2Cl)C1 ZINC000282460385 565780173 /nfs/dbraw/zinc/78/01/73/565780173.db2.gz WBFVESVDJNUABQ-GDBMZVCRSA-N 0 0 386.945 3.032 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000282563954 565786134 /nfs/dbraw/zinc/78/61/34/565786134.db2.gz RNEHDFOMKHTHKN-INIZCTEOSA-N 0 0 380.897 3.007 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc([C@H](C)O)s1 ZINC000283598971 565823660 /nfs/dbraw/zinc/82/36/60/565823660.db2.gz YEXDACJDXAGTAJ-VIFPVBQESA-N 0 0 385.283 3.327 20 10 GGCDRN CCOC(=O)N1CCC(NC(=O)CSc2ncc(C(C)(C)C)s2)CC1 ZINC000284359586 565850379 /nfs/dbraw/zinc/85/03/79/565850379.db2.gz WPTVHBPSVUFGFN-UHFFFAOYSA-N 0 0 385.555 3.270 20 10 GGCDRN O=C1/C(=C/c2sccc2Cl)SC(=S)N1CCCN1CCOCC1 ZINC000195220382 565867548 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[O-]c1c(Br)cc(Br)cc1C[NH2+]CC12CC(C1)CO2 ZINC000529661887 567537853 /nfs/dbraw/zinc/53/78/53/567537853.db2.gz INSPYNVRFXVGFT-UHFFFAOYSA-N 0 0 377.076 3.186 20 10 GGCDRN COCCn1c(C)c(C)c2cc(C(=O)N=c3[nH][nH]cc3Br)ccc21 ZINC000552287347 567572805 /nfs/dbraw/zinc/57/28/05/567572805.db2.gz PAWCFUQHEGNLRX-UHFFFAOYSA-N 0 0 391.269 3.064 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000115056723 570274170 /nfs/dbraw/zinc/27/41/70/570274170.db2.gz AURKSZXIDKYDRX-QFIPXVFZSA-N 0 0 380.488 3.484 20 10 GGCDRN CCCn1c2ccccc2n(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1=O ZINC000021931007 570299591 /nfs/dbraw/zinc/29/95/91/570299591.db2.gz DYNHAHNXRQSMIF-UHFFFAOYSA-N 0 0 394.519 3.328 20 10 GGCDRN Nc1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120040235 570309910 /nfs/dbraw/zinc/30/99/10/570309910.db2.gz FRPUFTDUQJKQOA-UHFFFAOYSA-N 0 0 379.382 3.054 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000022427331 570316597 /nfs/dbraw/zinc/31/65/97/570316597.db2.gz 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ZINC000170595863 570853251 /nfs/dbraw/zinc/85/32/51/570853251.db2.gz AJCORRKGOQBGKC-UHFFFAOYSA-N 0 0 391.471 3.352 20 10 GGCDRN CN(C)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 ZINC000012564849 570869821 /nfs/dbraw/zinc/86/98/21/570869821.db2.gz KHOJANYLIIXBAZ-UHFFFAOYSA-N 0 0 378.451 3.496 20 10 GGCDRN CCOc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC ZINC000012607190 570889049 /nfs/dbraw/zinc/88/90/49/570889049.db2.gz PHVJTEQVSFZVSK-UHFFFAOYSA-N 0 0 384.476 3.203 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)Nc1ccccn1 ZINC000047065416 570939040 /nfs/dbraw/zinc/93/90/40/570939040.db2.gz SDJPVXQYIOZIGR-UHFFFAOYSA-N 0 0 380.370 3.259 20 10 GGCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)c1 ZINC000737106614 599055142 /nfs/dbraw/zinc/05/51/42/599055142.db2.gz WBMJPWSNNLFNJD-MRVPVSSYSA-N 0 0 380.330 3.168 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2C)cc1 ZINC000821197219 607286258 /nfs/dbraw/zinc/28/62/58/607286258.db2.gz HRNJLSXIXFTGNX-UHFFFAOYSA-N 0 0 379.468 3.343 20 10 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CC(C)Oc1ccc([C@@H](O)CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000116539697 1412874111 /nfs/dbraw/zinc/87/41/11/1412874111.db2.gz LEUBOIFIIWOWEG-FQEVSTJZSA-N 0 0 389.471 3.212 20 10 GGCDRN COCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cs1 ZINC000116581810 1412882163 /nfs/dbraw/zinc/88/21/63/1412882163.db2.gz MQZATKMFCMGRFB-KRWDZBQOSA-N 0 0 389.521 3.177 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3cccc(-n4cccn4)c3)CC2)cc1 ZINC000116638574 1412890124 /nfs/dbraw/zinc/89/01/24/1412890124.db2.gz WZXDGZBMLBANJX-UHFFFAOYSA-N 0 0 376.460 3.280 20 10 GGCDRN Cc1ccc([C@@H]2COCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)o1 ZINC000116700148 1412898709 /nfs/dbraw/zinc/89/87/09/1412898709.db2.gz SBJXAHDFFALTTR-MRSBXDGLSA-N 0 0 382.460 3.038 20 10 GGCDRN Cc1ccc(OC2CCN(CC(=O)NCc3ccc(N(C)C)cc3)CC2)cc1 ZINC000116882619 1412948541 /nfs/dbraw/zinc/94/85/41/1412948541.db2.gz WLQPUNXYNMRLIH-UHFFFAOYSA-N 0 0 381.520 3.221 20 10 GGCDRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)C[C@@H](C)O1 ZINC000116908690 1412954557 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COC(=O)NCc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000117464698 1413038656 /nfs/dbraw/zinc/03/86/56/1413038656.db2.gz BBIVAYGEFKCOHS-UHFFFAOYSA-N 0 0 382.464 3.247 20 10 GGCDRN CS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000117510990 1413045271 /nfs/dbraw/zinc/04/52/71/1413045271.db2.gz WCDINUYFURQEQI-IEBWSBKVSA-N 0 0 377.554 3.339 20 10 GGCDRN CS[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000117510989 1413045321 /nfs/dbraw/zinc/04/53/21/1413045321.db2.gz WCDINUYFURQEQI-HKUYNNGSSA-N 0 0 377.554 3.339 20 10 GGCDRN C[C@H](Oc1cccnc1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000117774309 1413077835 /nfs/dbraw/zinc/07/78/35/1413077835.db2.gz VPUCDYIMBBZBFM-UWJYYQICSA-N 0 0 383.492 3.123 20 10 GGCDRN O=S(=O)(Cc1cccc2cccnc21)NCCCSc1nccs1 ZINC000117922977 1413088993 /nfs/dbraw/zinc/08/89/93/1413088993.db2.gz VTWCRJRUOSACLM-UHFFFAOYSA-N 0 0 379.532 3.293 20 10 GGCDRN Cc1cccc(-n2cc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)nn2)c1 ZINC000117975395 1413093904 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C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000123130525 1414649326 /nfs/dbraw/zinc/64/93/26/1414649326.db2.gz VFQCYJQMJVPMNY-MRXNPFEDSA-N 0 0 393.491 3.302 20 10 GGCDRN CCCN(CC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000123143518 1414652529 /nfs/dbraw/zinc/65/25/29/1414652529.db2.gz SHTXZQUKDTVBTQ-LJQANCHMSA-N 0 0 388.533 3.176 20 10 GGCDRN CCCN(CC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000123143721 1414652958 /nfs/dbraw/zinc/65/29/58/1414652958.db2.gz SHTXZQUKDTVBTQ-IBGZPJMESA-N 0 0 388.533 3.176 20 10 GGCDRN Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1O ZINC000177662086 1428825976 /nfs/dbraw/zinc/82/59/76/1428825976.db2.gz QJLGNASMDYKXOC-UHFFFAOYSA-N 0 0 394.393 3.383 20 10 GGCDRN C[C@@H](NS(=O)(=O)c1cccc2cnccc21)c1ccc(N2CCOCC2)cc1 ZINC000123210237 1414669155 /nfs/dbraw/zinc/66/91/55/1414669155.db2.gz PXOLJMRHXJJTAF-MRXNPFEDSA-N 0 0 397.500 3.111 20 10 GGCDRN Cn1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cn1 ZINC000123351275 1414704081 /nfs/dbraw/zinc/70/40/81/1414704081.db2.gz KSRFPDWTAIZZCH-KRWDZBQOSA-N 0 0 382.489 3.438 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000123468951 1414742602 /nfs/dbraw/zinc/74/26/02/1414742602.db2.gz YKGFJFJUQHELMV-UHFFFAOYSA-N 0 0 387.867 3.026 20 10 GGCDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000123471543 1414743572 /nfs/dbraw/zinc/74/35/72/1414743572.db2.gz HNPUNYHKRSDAIH-SFHVURJKSA-N 0 0 399.447 3.229 20 10 GGCDRN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccnc2)no1 ZINC000123648453 1414803482 /nfs/dbraw/zinc/80/34/82/1414803482.db2.gz GOOIJGASLWQYSK-HOTGVXAUSA-N 0 0 379.464 3.380 20 10 GGCDRN COc1cc(Br)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000123667718 1414806359 /nfs/dbraw/zinc/80/63/59/1414806359.db2.gz QRKSRWVTJOZAQA-GWCFXTLKSA-N 0 0 384.192 3.051 20 10 GGCDRN COc1cc(Br)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000123667499 1414806379 /nfs/dbraw/zinc/80/63/79/1414806379.db2.gz QRKSRWVTJOZAQA-MFKMUULPSA-N 0 0 384.192 3.051 20 10 GGCDRN COCCC(=O)N1CCC(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000123849215 1414834189 /nfs/dbraw/zinc/83/41/89/1414834189.db2.gz BOJPBBUKRYPQTD-UHFFFAOYSA-N 0 0 397.519 3.160 20 10 GGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)cc1 ZINC000123860971 1414837274 /nfs/dbraw/zinc/83/72/74/1414837274.db2.gz JDIOTDKRTVDNMV-MRXNPFEDSA-N 0 0 375.266 3.308 20 10 GGCDRN CCCCc1nnc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000123883131 1414842465 /nfs/dbraw/zinc/84/24/65/1414842465.db2.gz BSFVEGHQGNKHTA-UHFFFAOYSA-N 0 0 389.525 3.381 20 10 GGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000123895617 1414845081 /nfs/dbraw/zinc/84/50/81/1414845081.db2.gz HGDYCXBXOQXHCF-UHFFFAOYSA-N 0 0 376.478 3.327 20 10 GGCDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cc(Cl)ccc1O ZINC000124000317 1414866306 /nfs/dbraw/zinc/86/63/06/1414866306.db2.gz MPADATXSFFFYIW-UHFFFAOYSA-N 0 0 389.883 3.054 20 10 GGCDRN CCc1ncsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000124187941 1414903980 /nfs/dbraw/zinc/90/39/80/1414903980.db2.gz VLEDSVKPIGIXRK-CQSZACIVSA-N 0 0 379.913 3.459 20 10 GGCDRN CCOC(=O)CC[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000124208307 1414908698 /nfs/dbraw/zinc/90/86/98/1414908698.db2.gz SLJNAWJQWOSKJV-KRWDZBQOSA-N 0 0 387.524 3.334 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(OC)c3)CC2)cc1F ZINC000124261482 1414923750 /nfs/dbraw/zinc/92/37/50/1414923750.db2.gz LBBYHAMDLAVYBN-UHFFFAOYSA-N 0 0 378.831 3.459 20 10 GGCDRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)nc3)CC2)cc1F ZINC000124265507 1414924380 /nfs/dbraw/zinc/92/43/80/1414924380.db2.gz DGZVLCLUADVGBC-XVNBXDOJSA-N 0 0 375.831 3.245 20 10 GGCDRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000124307243 1414934859 /nfs/dbraw/zinc/93/48/59/1414934859.db2.gz YFUZGEPSJJXGAV-QGZVFWFLSA-N 0 0 399.340 3.497 20 10 GGCDRN NC(=O)c1ccc(OCCC(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000124364181 1414950270 /nfs/dbraw/zinc/95/02/70/1414950270.db2.gz ASCCSEBIHKRDSC-UHFFFAOYSA-N 0 0 394.427 3.082 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(-c2ncccn2)s1 ZINC000124368723 1414950740 /nfs/dbraw/zinc/95/07/40/1414950740.db2.gz KFIQKQLPZZOEDH-UHFFFAOYSA-N 0 0 397.529 3.083 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000124387047 1414955125 /nfs/dbraw/zinc/95/51/25/1414955125.db2.gz ITAOSOTYOBGGKL-UHFFFAOYSA-N 0 0 383.448 3.275 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(F)(F)C1(O)CCC1 ZINC000124452733 1414972111 /nfs/dbraw/zinc/97/21/11/1414972111.db2.gz WPPAPJXVVQHNFI-UHFFFAOYSA-N 0 0 378.213 3.054 20 10 GGCDRN CC(C)N(C)c1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000177760756 1428852128 /nfs/dbraw/zinc/85/21/28/1428852128.db2.gz QPWKTYKKHOIRMM-UHFFFAOYSA-N 0 0 392.550 3.225 20 10 GGCDRN Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c2cccnc12 ZINC000177763709 1428852767 /nfs/dbraw/zinc/85/27/67/1428852767.db2.gz JTYVUPUNNOXQJG-UHFFFAOYSA-N 0 0 386.502 3.237 20 10 GGCDRN CN(C)c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1Cl ZINC000177763996 1428852809 /nfs/dbraw/zinc/85/28/09/1428852809.db2.gz YHKMSGILDJLNND-UHFFFAOYSA-N 0 0 398.941 3.100 20 10 GGCDRN Cc1nnc(-c2ccccc2C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000124611487 1415005745 /nfs/dbraw/zinc/00/57/45/1415005745.db2.gz RCUIOSRVRMAVSZ-UHFFFAOYSA-N 0 0 392.459 3.154 20 10 GGCDRN O=C([C@H](O)c1ccccc1Cl)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000124634419 1415009756 /nfs/dbraw/zinc/00/97/56/1415009756.db2.gz GUHMTTWNTSPVHT-DNVCBOLYSA-N 0 0 375.852 3.287 20 10 GGCDRN Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124658681 1415015424 /nfs/dbraw/zinc/01/54/24/1415015424.db2.gz JLDMUDRNDRQLPH-LSDHHAIUSA-N 0 0 386.496 3.119 20 10 GGCDRN CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124735814 1415032202 /nfs/dbraw/zinc/03/22/02/1415032202.db2.gz DPVDMJBXGFYKAR-CHAGWJKLSA-N 0 0 386.517 3.142 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3ccnc(OC4CCC4)c3)CC2)cc1 ZINC000124754857 1415036837 /nfs/dbraw/zinc/03/68/37/1415036837.db2.gz KSPJHOVMKPTILQ-UHFFFAOYSA-N 0 0 381.476 3.420 20 10 GGCDRN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCOCC4)c(F)c3)cc2o1 ZINC000124860531 1415061247 /nfs/dbraw/zinc/06/12/47/1415061247.db2.gz HIYGLNDXBVPYEZ-UHFFFAOYSA-N 0 0 384.411 3.434 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc3[nH]ccc32)cc1F ZINC000124958023 1415081486 /nfs/dbraw/zinc/08/14/86/1415081486.db2.gz QGHWAKXHIYRIGH-UHFFFAOYSA-N 0 0 382.439 3.408 20 10 GGCDRN CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000124995413 1415088509 /nfs/dbraw/zinc/08/85/09/1415088509.db2.gz DRAWUWFPPXHQOX-UHFFFAOYSA-N 0 0 389.883 3.450 20 10 GGCDRN Cc1nn(C)c2ncc(NC(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc12 ZINC000125040183 1415097511 /nfs/dbraw/zinc/09/75/11/1415097511.db2.gz OWMPZTNGZXHZTM-KRWDZBQOSA-N 0 0 395.463 3.195 20 10 GGCDRN Cc1cc(C(=O)N(C)Cc2nc[nH]n2)c(C)n1-c1ccc(Br)cc1 ZINC000177828947 1428866521 /nfs/dbraw/zinc/86/65/21/1428866521.db2.gz DBVJXGIHUCJOPB-UHFFFAOYSA-N 0 0 388.269 3.247 20 10 GGCDRN O=C([C@H]1Cc2ccccc2C(=O)O1)N(Cc1ccco1)Cc1ccccc1O ZINC000125326342 1415165896 /nfs/dbraw/zinc/16/58/96/1415165896.db2.gz DNAUDSSOWBMYHU-HXUWFJFHSA-N 0 0 377.396 3.296 20 10 GGCDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000125345314 1415170335 /nfs/dbraw/zinc/17/03/35/1415170335.db2.gz CGZNXAZBVVUKSH-UHFFFAOYSA-N 0 0 386.471 3.289 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H](Cc1ccccc1)C1CC1 ZINC000125383351 1415182616 /nfs/dbraw/zinc/18/26/16/1415182616.db2.gz SDHSWHLFYWCBBO-OAQYLSRUSA-N 0 0 397.494 3.483 20 10 GGCDRN O=C(NC[C@H]1CCCS1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000125524360 1415220143 /nfs/dbraw/zinc/22/01/43/1415220143.db2.gz SVQQGLMJEVSDSZ-MRXNPFEDSA-N 0 0 385.480 3.452 20 10 GGCDRN Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C)c(C)n1-c1ccccn1 ZINC000125559620 1415226251 /nfs/dbraw/zinc/22/62/51/1415226251.db2.gz VHNKMVVUOCCUII-OAQYLSRUSA-N 0 0 388.471 3.111 20 10 GGCDRN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000125561088 1415226810 /nfs/dbraw/zinc/22/68/10/1415226810.db2.gz MBWSUNBETWIFMT-UHFFFAOYSA-N 0 0 392.459 3.313 20 10 GGCDRN O=C(Nc1ccsc1)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000125604273 1415236394 /nfs/dbraw/zinc/23/63/94/1415236394.db2.gz UDYNBADZKPVHHF-LBPRGKRZSA-N 0 0 395.431 3.073 20 10 GGCDRN O=C(Nc1ccsc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000125604444 1415236462 /nfs/dbraw/zinc/23/64/62/1415236462.db2.gz UDYNBADZKPVHHF-GFCCVEGCSA-N 0 0 395.431 3.073 20 10 GGCDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NCc2cccc(OC)c2O)c1 ZINC000125620395 1415239369 /nfs/dbraw/zinc/23/93/69/1415239369.db2.gz VQAQQIWMDVVVTQ-AWEZNQCLSA-N 0 0 378.494 3.231 20 10 GGCDRN CCc1noc(CC)c1CNC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000125680502 1415253063 /nfs/dbraw/zinc/25/30/63/1415253063.db2.gz DATPYKNMXJRHQU-UHFFFAOYSA-N 0 0 386.496 3.276 20 10 GGCDRN Cc1ccc2cccc(C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)c2n1 ZINC000125710967 1415259318 /nfs/dbraw/zinc/25/93/18/1415259318.db2.gz VYKASOGQZUIZPN-UHFFFAOYSA-N 0 0 395.484 3.030 20 10 GGCDRN CCc1nc([C@@H](C)NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cs1 ZINC000125763729 1415273593 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Cc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1C(=O)N(C)C ZINC000177958558 1428900490 /nfs/dbraw/zinc/90/04/90/1428900490.db2.gz ZMXVSMRVYZJGDR-UHFFFAOYSA-N 0 0 378.476 3.395 20 10 GGCDRN C[C@](O)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccsc1 ZINC000125969968 1415325711 /nfs/dbraw/zinc/32/57/11/1415325711.db2.gz GORZMLWASSPZGK-IBGZPJMESA-N 0 0 391.562 3.008 20 10 GGCDRN CCc1nc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)ccc2o1 ZINC000125976519 1415327120 /nfs/dbraw/zinc/32/71/20/1415327120.db2.gz NSOSPRDDZMXAOC-UHFFFAOYSA-N 0 0 380.448 3.020 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000126157252 1415372406 /nfs/dbraw/zinc/37/24/06/1415372406.db2.gz UZZSOQITHHXOJG-UHFFFAOYSA-N 0 0 391.450 3.387 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000177973304 1428909467 /nfs/dbraw/zinc/90/94/67/1428909467.db2.gz DAGRZZOOBSDKIS-IBGZPJMESA-N 0 0 383.540 3.431 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3cncc(Br)c3)CC2)cc1 ZINC000126346454 1415422918 /nfs/dbraw/zinc/42/29/18/1415422918.db2.gz RDVHDIJSJPEIKV-UHFFFAOYSA-N 0 0 391.269 3.207 20 10 GGCDRN Cc1cc(C(=O)N2CCC[C@H](O)C2)c(C)n1-c1cccc(Br)c1 ZINC000126413598 1415444240 /nfs/dbraw/zinc/44/42/40/1415444240.db2.gz QQCOEFQBWVNQPZ-INIZCTEOSA-N 0 0 377.282 3.454 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000126441437 1415454304 /nfs/dbraw/zinc/45/43/04/1415454304.db2.gz WPCLYILHPVTVGR-CYBMUJFWSA-N 0 0 376.815 3.196 20 10 GGCDRN Cc1cc(C(=O)N2CCC(O)CC2)c(C)n1-c1ccccc1Br ZINC000126461739 1415459206 /nfs/dbraw/zinc/45/92/06/1415459206.db2.gz OKWAZTRZOCFOSV-UHFFFAOYSA-N 0 0 377.282 3.454 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCc3nc(C4CC4)cs3)CC2)cc1 ZINC000178012656 1428934651 /nfs/dbraw/zinc/93/46/51/1428934651.db2.gz KCYFDJOXIHWJGU-UHFFFAOYSA-N 0 0 386.521 3.451 20 10 GGCDRN COC1(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000126484923 1415467143 /nfs/dbraw/zinc/46/71/43/1415467143.db2.gz LJWMGXDGJBZBTA-UHFFFAOYSA-N 0 0 375.513 3.014 20 10 GGCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126500005 1415470705 /nfs/dbraw/zinc/47/07/05/1415470705.db2.gz DKXSWWCYXAKFBM-DLBZAZTESA-N 0 0 395.544 3.478 20 10 GGCDRN CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126500493 1415471619 /nfs/dbraw/zinc/47/16/19/1415471619.db2.gz DKXSWWCYXAKFBM-IAGOWNOFSA-N 0 0 395.544 3.478 20 10 GGCDRN CC[C@H](SC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000126544118 1415485791 /nfs/dbraw/zinc/48/57/91/1415485791.db2.gz MHBRYPIUTRVGDJ-HNNXBMFYSA-N 0 0 376.444 3.300 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178001074 1428926764 /nfs/dbraw/zinc/92/67/64/1428926764.db2.gz IQPWWWOPRGZTOJ-UHFFFAOYSA-N 0 0 396.491 3.284 20 10 GGCDRN CC[C@H](O)CN(Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000126674992 1415523833 /nfs/dbraw/zinc/52/38/33/1415523833.db2.gz ADSPBYGVLDTRTH-QFIPXVFZSA-N 0 0 397.519 3.006 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000178030470 1428945126 /nfs/dbraw/zinc/94/51/26/1428945126.db2.gz ZJGRQMIUOPNYEK-LJQANCHMSA-N 0 0 386.540 3.123 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000126824806 1415572766 /nfs/dbraw/zinc/57/27/66/1415572766.db2.gz XNFKJSMNPRYAGU-GOSISDBHSA-N 0 0 398.457 3.419 20 10 GGCDRN COc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000126848421 1415583896 /nfs/dbraw/zinc/58/38/96/1415583896.db2.gz CPUBZQIXCBIMAZ-UHFFFAOYSA-N 0 0 397.519 3.212 20 10 GGCDRN O=C(c1cccc(OCC(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000126979644 1415623367 /nfs/dbraw/zinc/62/33/67/1415623367.db2.gz LAHZUKZZVZKHIR-OAHLLOKOSA-N 0 0 392.402 3.253 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(-c2ccccc2)on1 ZINC000127072565 1415654890 /nfs/dbraw/zinc/65/48/90/1415654890.db2.gz KSCPKCONRQBZHU-UHFFFAOYSA-N 0 0 378.432 3.500 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](C1CCCC1)C(F)(F)F ZINC000127190167 1415682412 /nfs/dbraw/zinc/68/24/12/1415682412.db2.gz AAZRUEVOVVWWDR-KRWDZBQOSA-N 0 0 385.430 3.444 20 10 GGCDRN CN(C)c1ccc(CNC(=O)CSc2ncccc2Br)cc1 ZINC000127443554 1415780981 /nfs/dbraw/zinc/78/09/81/1415780981.db2.gz IOFOEGTWFZQGSV-UHFFFAOYSA-N 0 0 380.311 3.319 20 10 GGCDRN Cn1cc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c2ccccc21 ZINC000127541136 1415807332 /nfs/dbraw/zinc/80/73/32/1415807332.db2.gz HIQZERJITFCUHU-UHFFFAOYSA-N 0 0 391.515 3.246 20 10 GGCDRN COc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000127548733 1415808149 /nfs/dbraw/zinc/80/81/49/1415808149.db2.gz HKPJHKVCNGWEAH-UHFFFAOYSA-N 0 0 388.895 3.487 20 10 GGCDRN CCCn1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000127555020 1415809006 /nfs/dbraw/zinc/80/90/06/1415809006.db2.gz HNCDNPJQGUJFNM-MRXNPFEDSA-N 0 0 382.508 3.498 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nc(C(F)(F)F)cs2)c1 ZINC000127578960 1415813199 /nfs/dbraw/zinc/81/31/99/1415813199.db2.gz WHPDKKONPPNTIS-QMMMGPOBSA-N 0 0 375.372 3.437 20 10 GGCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)Cc1ccc(Cl)c(F)c1)cc2=O ZINC000127653757 1415826960 /nfs/dbraw/zinc/82/69/60/1415826960.db2.gz RJHRFYZXZYWACI-UHFFFAOYSA-N 0 0 392.818 3.036 20 10 GGCDRN Cc1cc(C(=O)NCc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccn1 ZINC000127698458 1415835382 /nfs/dbraw/zinc/83/53/82/1415835382.db2.gz BLIKJTKEBXSQFO-UHFFFAOYSA-N 0 0 376.460 3.121 20 10 GGCDRN COc1ccc2c(c1)C=C(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CO2 ZINC000127781141 1415849552 /nfs/dbraw/zinc/84/95/52/1415849552.db2.gz MVYAAAAVFKMYOZ-MRXNPFEDSA-N 0 0 394.471 3.185 20 10 GGCDRN C[C@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1F ZINC000127993593 1415889892 /nfs/dbraw/zinc/88/98/92/1415889892.db2.gz KDPUFNCDQWRHFM-NRFANRHFSA-N 0 0 387.430 3.048 20 10 GGCDRN O=C(CNC(=O)NCc1ccc(N2CC=CC2)cc1)Nc1ccc(Cl)cc1 ZINC000127998724 1415890535 /nfs/dbraw/zinc/89/05/35/1415890535.db2.gz UYVBBESHZNGDIW-UHFFFAOYSA-N 0 0 384.867 3.154 20 10 GGCDRN O=C(COc1ccc(N2CCCC2)cc1)Nc1cccc(N2CCCC2=O)c1 ZINC000178194163 1429015312 /nfs/dbraw/zinc/01/53/12/1429015312.db2.gz VKUDVJPPIMHTNE-UHFFFAOYSA-N 0 0 379.460 3.431 20 10 GGCDRN O=C(COc1ccc(N2CCCC2)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000178194388 1429015440 /nfs/dbraw/zinc/01/54/40/1429015440.db2.gz JDVMMNCQNDGUFK-NRFANRHFSA-N 0 0 384.451 3.405 20 10 GGCDRN COc1cc2c(cc1OC)CN(C(=O)COc1ccc(N3CCCC3)cc1)CC2 ZINC000178195868 1429015577 /nfs/dbraw/zinc/01/55/77/1429015577.db2.gz IEMRGSBXSPMDGE-UHFFFAOYSA-N 0 0 396.487 3.268 20 10 GGCDRN COc1ccccc1N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000128024354 1415895618 /nfs/dbraw/zinc/89/56/18/1415895618.db2.gz UCGGZLKUPKYRSJ-UHFFFAOYSA-N 0 0 392.503 3.103 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3c(C)noc3C)CC2)cc1 ZINC000128096224 1415911393 /nfs/dbraw/zinc/91/13/93/1415911393.db2.gz REBURCXKINZAFK-CQSZACIVSA-N 0 0 386.496 3.199 20 10 GGCDRN CCc1ccccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000128228170 1415944179 /nfs/dbraw/zinc/94/41/79/1415944179.db2.gz FWOVCEAPDNZAAT-UHFFFAOYSA-N 0 0 381.520 3.457 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000128307548 1415959336 /nfs/dbraw/zinc/95/93/36/1415959336.db2.gz IJRAJLQCXLCOGI-UHFFFAOYSA-N 0 0 394.519 3.340 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1 ZINC000128307765 1415959574 /nfs/dbraw/zinc/95/95/74/1415959574.db2.gz BJQWCUOEWJLOJF-UHFFFAOYSA-N 0 0 395.381 3.248 20 10 GGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)N(C)Cc2c(F)cccc2Cl)cc1 ZINC000128442334 1415987978 /nfs/dbraw/zinc/98/79/78/1415987978.db2.gz QELHWHPSDFAOLU-UHFFFAOYSA-N 0 0 399.919 3.354 20 10 GGCDRN CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000128492362 1415999278 /nfs/dbraw/zinc/99/92/78/1415999278.db2.gz PBOPPRZOYITCJN-UHFFFAOYSA-N 0 0 379.460 3.107 20 10 GGCDRN Cc1cccc(NC(=O)CN2CCN(Cc3ccc(N(C)C)cc3)CC2)c1C ZINC000128498880 1416000212 /nfs/dbraw/zinc/00/02/12/1416000212.db2.gz MLDPNQOTKBCWQD-UHFFFAOYSA-N 0 0 380.536 3.126 20 10 GGCDRN CCC[C@H]1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCO1 ZINC000128558526 1416012994 /nfs/dbraw/zinc/01/29/94/1416012994.db2.gz RHOCXDLWJOKOEV-SFHVURJKSA-N 0 0 397.466 3.467 20 10 GGCDRN CN(C)c1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000128568325 1416015731 /nfs/dbraw/zinc/01/57/31/1416015731.db2.gz QZUOJROHLRMKKZ-UHFFFAOYSA-N 0 0 394.519 3.340 20 10 GGCDRN CC(C)c1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000128574405 1416017146 /nfs/dbraw/zinc/01/71/46/1416017146.db2.gz RHUDSZRWOVQSMU-UHFFFAOYSA-N 0 0 395.503 3.244 20 10 GGCDRN CCCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000128652813 1416034541 /nfs/dbraw/zinc/03/45/41/1416034541.db2.gz BEJUUCQPMCSWPP-UHFFFAOYSA-N 0 0 399.466 3.252 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000128676084 1416039725 /nfs/dbraw/zinc/03/97/25/1416039725.db2.gz PEGJIEJYGIONGV-UHFFFAOYSA-N 0 0 380.366 3.484 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cccc(F)c1F ZINC000128725442 1416052134 /nfs/dbraw/zinc/05/21/34/1416052134.db2.gz SKBCNVQRZQQDSX-UHFFFAOYSA-N 0 0 379.382 3.387 20 10 GGCDRN Cc1cc(C)cc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000128759303 1416061128 /nfs/dbraw/zinc/06/11/28/1416061128.db2.gz JDRTWZRYKQUIBT-UHFFFAOYSA-N 0 0 399.510 3.446 20 10 GGCDRN CCN(C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1)CC(F)(F)F ZINC000178346229 1429057107 /nfs/dbraw/zinc/05/71/07/1429057107.db2.gz KUCYHNQSGOEWAC-INIZCTEOSA-N 0 0 386.462 3.168 20 10 GGCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)Cc3ccc(O)cc3)CC2)cc1F ZINC000128875618 1416090723 /nfs/dbraw/zinc/09/07/23/1416090723.db2.gz JAFJOTPSJYWSHZ-HNNXBMFYSA-N 0 0 387.455 3.003 20 10 GGCDRN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000128913443 1416100252 /nfs/dbraw/zinc/10/02/52/1416100252.db2.gz CBJMDUSTZXOWEF-CQSZACIVSA-N 0 0 390.439 3.049 20 10 GGCDRN CC(C)(C)C[C@@H](CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000128929469 1416105634 /nfs/dbraw/zinc/10/56/34/1416105634.db2.gz VOGAHUICSIHQFH-HNNXBMFYSA-N 0 0 399.482 3.353 20 10 GGCDRN CN(C)C(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000128933473 1416106704 /nfs/dbraw/zinc/10/67/04/1416106704.db2.gz WPZSVVDTCGYRAO-UHFFFAOYSA-N 0 0 398.418 3.416 20 10 GGCDRN COc1ccc(O)c(CNC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)c1 ZINC000128947590 1416110577 /nfs/dbraw/zinc/11/05/77/1416110577.db2.gz KCIXNXANNKPPSG-UHFFFAOYSA-N 0 0 376.412 3.328 20 10 GGCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(-n2cccn2)n1 ZINC000128949379 1416111468 /nfs/dbraw/zinc/11/14/68/1416111468.db2.gz MLBPAFBFMGJTLN-UHFFFAOYSA-N 0 0 394.390 3.295 20 10 GGCDRN Cc1noc(C)c1COc1ccc(CC(=O)NCCc2ccc(N)cc2)cc1 ZINC000178409122 1429072446 /nfs/dbraw/zinc/07/24/46/1429072446.db2.gz VRTZBUHSNPSLMS-UHFFFAOYSA-N 0 0 379.460 3.354 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)OCC3CCS(=O)(=O)CC3)c2C)cc1 ZINC000129276322 1416184032 /nfs/dbraw/zinc/18/40/32/1416184032.db2.gz KGRKTNFCEVIHOY-UHFFFAOYSA-N 0 0 391.489 3.084 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cn(C)nc2-c2ccccc2OC)c1 ZINC000129381791 1416200117 /nfs/dbraw/zinc/20/01/17/1416200117.db2.gz YKUKTTYBYKKLGP-CYBMUJFWSA-N 0 0 381.432 3.301 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000178436677 1429077267 /nfs/dbraw/zinc/07/72/67/1429077267.db2.gz AGSKBZMBFYKDFF-PXNSSMCTSA-N 0 0 375.538 3.141 20 10 GGCDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000129495911 1416218561 /nfs/dbraw/zinc/21/85/61/1416218561.db2.gz WNSYXCQXTXKBAC-JTSKRJEESA-N 0 0 393.531 3.368 20 10 GGCDRN Cc1cc(/C=C/C(=O)NC2(c3ncon3)CCOCC2)c(C)n1-c1ccccc1 ZINC000129540087 1416224754 /nfs/dbraw/zinc/22/47/54/1416224754.db2.gz OTBRUDYNKYGPEJ-CMDGGOBGSA-N 0 0 392.459 3.312 20 10 GGCDRN CC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1c(C)noc1C ZINC000129542485 1416225509 /nfs/dbraw/zinc/22/55/09/1416225509.db2.gz KNDKXYJRXQMTFB-LJQANCHMSA-N 0 0 386.496 3.421 20 10 GGCDRN CCc1ncsc1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000129565958 1416229327 /nfs/dbraw/zinc/22/93/27/1416229327.db2.gz WUKBVZCVYBZWOE-UHFFFAOYSA-N 0 0 385.445 3.172 20 10 GGCDRN Cc1ccc2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccc2n1 ZINC000129626130 1416239708 /nfs/dbraw/zinc/23/97/08/1416239708.db2.gz NFRNFRWLPDSZJC-UHFFFAOYSA-N 0 0 379.435 3.449 20 10 GGCDRN Oc1cc2c(cc1CN1CCO[C@H](c3cccc(Br)c3)C1)OCO2 ZINC000129769900 1416261015 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CCc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1CC ZINC000180072723 1429724844 /nfs/dbraw/zinc/72/48/44/1429724844.db2.gz FYSBXQZMGMZYJG-UHFFFAOYSA-N 0 0 377.488 3.443 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000180072698 1429724964 /nfs/dbraw/zinc/72/49/64/1429724964.db2.gz PMVGXIKEGYHYHF-UHFFFAOYSA-N 0 0 391.805 3.249 20 10 GGCDRN C[C@@H](O)C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000159136981 1424425799 /nfs/dbraw/zinc/42/57/99/1424425799.db2.gz NGFVYTOFGSTFPZ-KVWHRHGTSA-N 0 0 394.515 3.207 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc3nc[nH]c32)cc1 ZINC000159247181 1424459332 /nfs/dbraw/zinc/45/93/32/1424459332.db2.gz JXGAEJJZUNVKRF-GOSISDBHSA-N 0 0 378.476 3.450 20 10 GGCDRN Cc1onc(-c2ccccn2)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000159434392 1424501852 /nfs/dbraw/zinc/50/18/52/1424501852.db2.gz SYQHZSPUEIKGDO-UHFFFAOYSA-N 0 0 392.459 3.154 20 10 GGCDRN CCc1ccccc1NC(=O)CN1CCN(Cc2cc(OC)c(C)cc2O)CC1 ZINC000159498055 1424508021 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GGCDRN C[C@@H](NC(=O)c1ccnc(OCC(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000160456834 1424605164 /nfs/dbraw/zinc/60/51/64/1424605164.db2.gz GNJUORWUQFIMAB-CQSZACIVSA-N 0 0 391.418 3.053 20 10 GGCDRN COc1cccc2c1OCC(C(=O)NCc1ccc(N3CCSCC3)cc1)=C2 ZINC000160539859 1424612482 /nfs/dbraw/zinc/61/24/82/1424612482.db2.gz MGBKPKSQGVUSJY-UHFFFAOYSA-N 0 0 396.512 3.341 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000160668592 1424624235 /nfs/dbraw/zinc/62/42/35/1424624235.db2.gz IAMSDWCJHNVWPY-INIZCTEOSA-N 0 0 375.513 3.324 20 10 GGCDRN Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cccc(N3CCCCC3)c2)c1C ZINC000160740189 1424631759 /nfs/dbraw/zinc/63/17/59/1424631759.db2.gz VDAANEQZWGWPEK-UHFFFAOYSA-N 0 0 387.505 3.193 20 10 GGCDRN CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1CC(C)C ZINC000160761498 1424633635 /nfs/dbraw/zinc/63/36/35/1424633635.db2.gz XEXNSLFNMLQHOD-UHFFFAOYSA-N 0 0 384.524 3.210 20 10 GGCDRN O=S(=O)(Cc1c(F)cccc1F)NCc1ccc(N2CCSCC2)cc1 ZINC000160845871 1424638930 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COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2sccc2Br)c1 ZINC000161157399 1424663287 /nfs/dbraw/zinc/66/32/87/1424663287.db2.gz OZLJMWBTINTDRK-MRVPVSSYSA-N 0 0 392.296 3.264 20 10 GGCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000161161846 1424663869 /nfs/dbraw/zinc/66/38/69/1424663869.db2.gz SCWQOUIJQOFWAU-JTQLQIEISA-N 0 0 386.267 3.203 20 10 GGCDRN CCOC(=O)c1c(C)oc2nc(CN(C)c3ccc(OCC)cc3)nc(N)c21 ZINC000161208899 1424666406 /nfs/dbraw/zinc/66/64/06/1424666406.db2.gz ROZTYLGNZFZEGM-UHFFFAOYSA-N 0 0 384.436 3.325 20 10 GGCDRN O=C(CNc1ccc(Cl)c(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161265685 1424671791 /nfs/dbraw/zinc/67/17/91/1424671791.db2.gz SSRVXWJUYOLBOE-UHFFFAOYSA-N 0 0 395.837 3.183 20 10 GGCDRN Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000161511600 1424696596 /nfs/dbraw/zinc/69/65/96/1424696596.db2.gz TVQAWBRWYVNDRE-UHFFFAOYSA-N 0 0 388.471 3.219 20 10 GGCDRN Cc1c(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000161513970 1424697994 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CN(c1ccc(CNC(=O)CS(=O)(=O)C(C)(C)C)cc1)C1CCCCC1 ZINC000163155397 1424950955 /nfs/dbraw/zinc/95/09/55/1424950955.db2.gz RUWOFVKTLMVLNX-UHFFFAOYSA-N 0 0 380.554 3.285 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163193092 1424956784 /nfs/dbraw/zinc/95/67/84/1424956784.db2.gz ISYWFJPXIDOLPU-SFHVURJKSA-N 0 0 392.507 3.148 20 10 GGCDRN CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435385 1424969871 /nfs/dbraw/zinc/96/98/71/1424969871.db2.gz WOCUZFMTPWYTBQ-KRWDZBQOSA-N 0 0 392.507 3.286 20 10 GGCDRN CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000163711775 1425037448 /nfs/dbraw/zinc/03/74/48/1425037448.db2.gz KGXAQYMLORYQRP-AWEZNQCLSA-N 0 0 378.423 3.464 20 10 GGCDRN Cc1cccc([C@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000164007061 1425067627 /nfs/dbraw/zinc/06/76/27/1425067627.db2.gz GTFQDEBBCNEGLA-OAQYLSRUSA-N 0 0 380.492 3.273 20 10 GGCDRN CC(C)(C)c1cnc(SCC(=O)NCCCN2CCCCCC2=O)s1 ZINC000164251567 1425092254 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CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000170732025 1425321970 /nfs/dbraw/zinc/32/19/70/1425321970.db2.gz MCOLHTYJEUORJP-UHFFFAOYSA-N 0 0 376.478 3.125 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)CSC[C@@H]3CCCCO3)CC2)cc1 ZINC000170763411 1425331500 /nfs/dbraw/zinc/33/15/00/1425331500.db2.gz QSZWCPKTOOROIN-IBGZPJMESA-N 0 0 378.538 3.083 20 10 GGCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc2ccccc2s1 ZINC000170968946 1425420521 /nfs/dbraw/zinc/42/05/21/1425420521.db2.gz XDWOFAFWZDXWLE-LLVKDONJSA-N 0 0 390.486 3.469 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3CCC(NC(=O)C4CC4)CC3)cc2)CC1 ZINC000170994462 1425427119 /nfs/dbraw/zinc/42/71/19/1425427119.db2.gz IKVYOJIVCNXGDA-UHFFFAOYSA-N 0 0 398.551 3.123 20 10 GGCDRN CCc1nc2ccccc2n1CC(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000171018165 1425439410 /nfs/dbraw/zinc/43/94/10/1425439410.db2.gz OKIQEOZCZVTWPH-UHFFFAOYSA-N 0 0 392.503 3.393 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000171071157 1425467591 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394.349 3.350 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1COC2(CCCCCC2)O1 ZINC000180701402 1429985920 /nfs/dbraw/zinc/98/59/20/1429985920.db2.gz HLBJFJFDKZAJFL-FQEVSTJZSA-N 0 0 385.508 3.328 20 10 GGCDRN Oc1ccc(Br)cc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180711070 1429992729 /nfs/dbraw/zinc/99/27/29/1429992729.db2.gz MYNHVKHGPOIZEC-MJGOQNOKSA-N 0 0 392.293 3.479 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000180712202 1429993736 /nfs/dbraw/zinc/99/37/36/1429993736.db2.gz SOEHZWJZLPWFDN-UXBLZVDNSA-N 0 0 378.384 3.273 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000180754181 1430020288 /nfs/dbraw/zinc/02/02/88/1430020288.db2.gz OCGDICIURCEYKV-GORDUTHDSA-N 0 0 386.301 3.424 20 10 GGCDRN O=C1/C(=C/c2ccc([N+](=O)[O-])s2)SC(=S)N1CCc1ccccn1 ZINC000180765736 1430027092 /nfs/dbraw/zinc/02/70/92/1430027092.db2.gz IXHZGWWHVWGZJK-XFXZXTDPSA-N 0 0 377.472 3.495 20 10 GGCDRN CCCc1cnc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000180839008 1430064983 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3.025 20 10 GGCDRN CCCn1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000181113743 1430214763 /nfs/dbraw/zinc/21/47/63/1430214763.db2.gz XUHWAXBSFTWKTD-HNNXBMFYSA-N 0 0 378.423 3.293 20 10 GGCDRN Cc1c(NC(=O)[C@@H](C)N2CCOc3cc(N(C)C)ccc32)cccc1[N+](=O)[O-] ZINC000181129127 1430219767 /nfs/dbraw/zinc/21/97/67/1430219767.db2.gz XPZSMBZESGENDM-CQSZACIVSA-N 0 0 384.436 3.195 20 10 GGCDRN Cc1nscc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000181151452 1430228417 /nfs/dbraw/zinc/22/84/17/1430228417.db2.gz VJBYXQOHGWYPTA-UHFFFAOYSA-N 0 0 385.411 3.237 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccnn1Cc1ccccn1 ZINC000181160579 1430232149 /nfs/dbraw/zinc/23/21/49/1430232149.db2.gz RCSJXSMPSUSDBT-UHFFFAOYSA-N 0 0 376.464 3.248 20 10 GGCDRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000181207243 1430247737 /nfs/dbraw/zinc/24/77/37/1430247737.db2.gz IGYWVPKLOQKORS-OAHLLOKOSA-N 0 0 385.895 3.488 20 10 GGCDRN Cc1cccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1F ZINC000181225831 1430251525 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3.268 20 10 GGCDRN Cc1cccc(C2=CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)c1 ZINC000181262462 1430258361 /nfs/dbraw/zinc/25/83/61/1430258361.db2.gz NPCDSZFOZWEAQK-UHFFFAOYSA-N 0 0 386.473 3.002 20 10 GGCDRN C[C@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 ZINC000181382552 1430285609 /nfs/dbraw/zinc/28/56/09/1430285609.db2.gz XJPJAIFYGNNGCN-AWEZNQCLSA-N 0 0 385.423 3.146 20 10 GGCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc(=O)[nH]1 ZINC000181398356 1430288841 /nfs/dbraw/zinc/28/88/41/1430288841.db2.gz ZQRYIPMXXLHRHA-UHFFFAOYSA-N 0 0 383.492 3.049 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000181425066 1430295558 /nfs/dbraw/zinc/29/55/58/1430295558.db2.gz OXPINESJYAAQBR-SFHVURJKSA-N 0 0 384.476 3.054 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000181483603 1430308273 /nfs/dbraw/zinc/30/82/73/1430308273.db2.gz HWIWKVLXWVCLAU-SFHVURJKSA-N 0 0 394.523 3.372 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000181483619 1430308330 /nfs/dbraw/zinc/30/83/30/1430308330.db2.gz HWIWKVLXWVCLAU-GOSISDBHSA-N 0 0 394.523 3.372 20 10 GGCDRN COC(=O)CC(C)(C)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000181489707 1430309355 /nfs/dbraw/zinc/30/93/55/1430309355.db2.gz OBIPJFHVYXQGMT-AWEZNQCLSA-N 0 0 398.450 3.352 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000181578910 1430322908 /nfs/dbraw/zinc/32/29/08/1430322908.db2.gz GBLZWNKGIUQOQH-SJORKVTESA-N 0 0 387.501 3.307 20 10 GGCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCS(C)(=O)=O ZINC000181582390 1430323060 /nfs/dbraw/zinc/32/30/60/1430323060.db2.gz VPJWRWACNYUUEE-INIZCTEOSA-N 0 0 375.490 3.307 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCCS(C)(=O)=O ZINC000181582405 1430323116 /nfs/dbraw/zinc/32/31/16/1430323116.db2.gz VPJWRWACNYUUEE-MRXNPFEDSA-N 0 0 375.490 3.307 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCC(=O)N1CCOCC1 ZINC000181580571 1430323198 /nfs/dbraw/zinc/32/31/98/1430323198.db2.gz CQJNIOMQCLESOG-GOSISDBHSA-N 0 0 396.487 3.121 20 10 GGCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)cn1 ZINC000181583087 1430323445 /nfs/dbraw/zinc/32/34/45/1430323445.db2.gz ZGRJQQRTMLQMGX-HNNXBMFYSA-N 0 0 375.428 3.290 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCN1C(=O)CCC1=O ZINC000181584378 1430323580 /nfs/dbraw/zinc/32/35/80/1430323580.db2.gz RQTHLBXABKCEAB-MRXNPFEDSA-N 0 0 380.444 3.021 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)cn1 ZINC000181583102 1430323585 /nfs/dbraw/zinc/32/35/85/1430323585.db2.gz ZGRJQQRTMLQMGX-OAHLLOKOSA-N 0 0 375.428 3.290 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCc1csc(C)n1 ZINC000181590242 1430324466 /nfs/dbraw/zinc/32/44/66/1430324466.db2.gz FINDZNQOVHIVJB-UHFFFAOYSA-N 0 0 396.896 3.335 20 10 GGCDRN COc1ccc(S(=O)(=O)NCCCSc2nccs2)c(C)c1F ZINC000181679992 1430340518 /nfs/dbraw/zinc/34/05/18/1430340518.db2.gz OBWZBSSPXLSZOQ-UHFFFAOYSA-N 0 0 376.500 3.060 20 10 GGCDRN O=C(NCCCSc1nccs1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181696524 1430343194 /nfs/dbraw/zinc/34/31/94/1430343194.db2.gz JHAPKDGOUJZCFL-MRXNPFEDSA-N 0 0 377.535 3.278 20 10 GGCDRN c1ccc2c(c1)C[C@H](c1nnc(NCc3ccc(N4CCOCC4)cc3)o1)O2 ZINC000181753975 1430352598 /nfs/dbraw/zinc/35/25/98/1430352598.db2.gz DKFKAOFFRZEECJ-LJQANCHMSA-N 0 0 378.432 3.195 20 10 GGCDRN CCOc1cc(/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1O ZINC000181771371 1430356396 /nfs/dbraw/zinc/35/63/96/1430356396.db2.gz SILBIYXQDSZJIB-VZUCSPMQSA-N 0 0 382.460 3.162 20 10 GGCDRN CCOc1cc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000181819766 1430366759 /nfs/dbraw/zinc/36/67/59/1430366759.db2.gz GSWPDKKEFTWHMA-YRNVUSSQSA-N 0 0 396.487 3.299 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000181867672 1430374470 /nfs/dbraw/zinc/37/44/70/1430374470.db2.gz QEABQJXEALCOMQ-SFHVURJKSA-N 0 0 375.513 3.011 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000181871189 1430375087 /nfs/dbraw/zinc/37/50/87/1430375087.db2.gz KTANCUPZLHPSRV-UHFFFAOYSA-N 0 0 396.491 3.489 20 10 GGCDRN CN(c1ccc(CNC(=O)CC(=O)NCC(F)(F)F)cc1)C1CCCCC1 ZINC000181933848 1430385635 /nfs/dbraw/zinc/38/56/35/1430385635.db2.gz AILCXMPYUNJHQM-UHFFFAOYSA-N 0 0 385.430 3.140 20 10 GGCDRN COCc1nnc(-c2cccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)o1 ZINC000182008804 1430395291 /nfs/dbraw/zinc/39/52/91/1430395291.db2.gz WECRWFOHUKSXCT-UHFFFAOYSA-N 0 0 380.448 3.221 20 10 GGCDRN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC000182015841 1430396574 /nfs/dbraw/zinc/39/65/74/1430396574.db2.gz RXDXXJIESQYOGD-MRXNPFEDSA-N 0 0 385.508 3.247 20 10 GGCDRN COCc1nnc(-c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2)o1 ZINC000182015468 1430396662 /nfs/dbraw/zinc/39/66/62/1430396662.db2.gz PMIWKMFIUQQPTQ-UHFFFAOYSA-N 0 0 392.459 3.413 20 10 GGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)n1 ZINC000182033673 1430399591 /nfs/dbraw/zinc/39/95/91/1430399591.db2.gz DLAVCRWZEURIBT-UHFFFAOYSA-N 0 0 387.911 3.491 20 10 GGCDRN COc1cc(O)c(CN2CCc3c(ncn3CCc3ccccc3)C2)cc1OC ZINC000182142891 1430419354 /nfs/dbraw/zinc/41/93/54/1430419354.db2.gz CSXIAFUOBDDLAX-UHFFFAOYSA-N 0 0 393.487 3.407 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)COc3cccc4cccnc43)CC2)cc1 ZINC000182152793 1430420909 /nfs/dbraw/zinc/42/09/09/1430420909.db2.gz AOSVGPKKACDFIC-UHFFFAOYSA-N 0 0 391.471 3.361 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000182361658 1430453512 /nfs/dbraw/zinc/45/35/12/1430453512.db2.gz OHUHQURBOUOQIN-UHFFFAOYSA-N 0 0 397.454 3.374 20 10 GGCDRN O=C(c1cc(OCC(F)F)ccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182368775 1430454409 /nfs/dbraw/zinc/45/44/09/1430454409.db2.gz FJZLJUGGGNIKMK-INIZCTEOSA-N 0 0 392.402 3.253 20 10 GGCDRN CCc1nc(CN2CCC(CNC(=O)c3ccc(C)c(O)c3O)CC2)cs1 ZINC000182424723 1430465382 /nfs/dbraw/zinc/46/53/82/1430465382.db2.gz OUJIVABDLIHENU-UHFFFAOYSA-N 0 0 389.521 3.067 20 10 GGCDRN COc1ccc(O)c([C@H](C)NCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000182463164 1430471955 /nfs/dbraw/zinc/47/19/55/1430471955.db2.gz DKKGASDHEPFQFD-NSHDSACASA-N 0 0 393.369 3.246 20 10 GGCDRN Cc1noc(C)c1COc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182542395 1430487437 /nfs/dbraw/zinc/48/74/37/1430487437.db2.gz XDDXBNCANBBBEM-UHFFFAOYSA-N 0 0 382.416 3.141 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NCCCCNC(=O)OC(C)(C)C)ccc21 ZINC000182570181 1430494770 /nfs/dbraw/zinc/49/47/70/1430494770.db2.gz FOBXRGDWPPZPGG-UHFFFAOYSA-N 0 0 390.528 3.173 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](c2ccccc2F)CC1=O ZINC000182647656 1430509527 /nfs/dbraw/zinc/50/95/27/1430509527.db2.gz CWUDWFHINFKGKY-LJQANCHMSA-N 0 0 397.494 3.068 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nnc(C(=O)Nc2ccccc2)s1 ZINC000182667966 1430513505 /nfs/dbraw/zinc/51/35/05/1430513505.db2.gz TZJIKFCSJAOKAQ-UHFFFAOYSA-N 0 0 395.488 3.255 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3cc(OCC(F)F)ccn3)CC2)cc1 ZINC000182698867 1430520967 /nfs/dbraw/zinc/52/09/67/1430520967.db2.gz QLZCBWKTZALDNE-UHFFFAOYSA-N 0 0 391.418 3.133 20 10 GGCDRN C[C@H](Nc1ccc(N2CCOCC2)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182887995 1430562761 /nfs/dbraw/zinc/56/27/61/1430562761.db2.gz RAJMDSUHASHXHC-INIZCTEOSA-N 0 0 386.471 3.067 20 10 GGCDRN O=S1(=O)CC[C@@H](N(Cc2ccc(OCc3ccccc3)cc2O)C2CC2)C1 ZINC000182994772 1430588214 /nfs/dbraw/zinc/58/82/14/1430588214.db2.gz CTVIFSNWVPVWDI-LJQANCHMSA-N 0 0 387.501 3.123 20 10 GGCDRN CC(C)NC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000183013734 1430592854 /nfs/dbraw/zinc/59/28/54/1430592854.db2.gz UNAAJECAIZJCSL-UHFFFAOYSA-N 0 0 382.464 3.322 20 10 GGCDRN CNC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1Cl ZINC000183019362 1430594071 /nfs/dbraw/zinc/59/40/71/1430594071.db2.gz LNYCBABAHNQCGE-UHFFFAOYSA-N 0 0 388.855 3.197 20 10 GGCDRN C[C@H](CS(C)(=O)=O)N(Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000183072825 1430606361 /nfs/dbraw/zinc/60/63/61/1430606361.db2.gz KGTOVQIYJHVXRX-MRXNPFEDSA-N 0 0 389.517 3.369 20 10 GGCDRN C[C@H]([C@H](C)N(C)Cc1ccc(OCc2ccccc2)cc1O)S(C)(=O)=O ZINC000183075757 1430606887 /nfs/dbraw/zinc/60/68/87/1430606887.db2.gz VJAACRQDIXARRL-JKSUJKDBSA-N 0 0 377.506 3.225 20 10 GGCDRN Cc1nsc(N2CCN(Cc3ccc(OCc4ccccc4)cc3O)CC2)n1 ZINC000183097983 1430611802 /nfs/dbraw/zinc/61/18/02/1430611802.db2.gz BVCKEYPXAWWASY-UHFFFAOYSA-N 0 0 396.516 3.453 20 10 GGCDRN CC(C)N(CCS(C)(=O)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000183102941 1430613866 /nfs/dbraw/zinc/61/38/66/1430613866.db2.gz UGPYIEOGOQUKCN-UHFFFAOYSA-N 0 0 377.506 3.226 20 10 GGCDRN Cc1cnc([C@@H](C)CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000183123726 1430620544 /nfs/dbraw/zinc/62/05/44/1430620544.db2.gz IARPVYFNKKSNGC-ZDUSSCGKSA-N 0 0 392.500 3.030 20 10 GGCDRN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000183122868 1430620676 /nfs/dbraw/zinc/62/06/76/1430620676.db2.gz UHIRXGJPWHBILS-IERDGZPVSA-N 0 0 398.482 3.350 20 10 GGCDRN Cc1csc([C@H](C)CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000183123640 1430621002 /nfs/dbraw/zinc/62/10/02/1430621002.db2.gz HXOGDMAJUYKYES-CYBMUJFWSA-N 0 0 392.500 3.030 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000183147864 1430629397 /nfs/dbraw/zinc/62/93/97/1430629397.db2.gz IXYUFZKLLBMLHA-UHFFFAOYSA-N 0 0 377.448 3.428 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000183424944 1430708066 /nfs/dbraw/zinc/70/80/66/1430708066.db2.gz QGZXJMYGILCAMN-AWEZNQCLSA-N 0 0 399.447 3.357 20 10 GGCDRN Cc1cc(-c2noc(CCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)n2)ccc1F ZINC000183433586 1430710901 /nfs/dbraw/zinc/71/09/01/1430710901.db2.gz VGGKZNBQXUUETQ-ZDUSSCGKSA-N 0 0 399.422 3.275 20 10 GGCDRN Cc1ccc(-c2noc(CCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)n2)cc1F ZINC000183438801 1430712115 /nfs/dbraw/zinc/71/21/15/1430712115.db2.gz CFNVXMMIROGYIY-CYBMUJFWSA-N 0 0 399.422 3.275 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)/C=C/c3ccc(OC)c(O)c3)CC2)cc1 ZINC000183450446 1430714675 /nfs/dbraw/zinc/71/46/75/1430714675.db2.gz DBBYHFULYYHBHK-VZUCSPMQSA-N 0 0 382.460 3.162 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)CSc3nnc4ccccn43)cc2)CC1 ZINC000183453751 1430715682 /nfs/dbraw/zinc/71/56/82/1430715682.db2.gz MFMRAWJZEVZPJE-UHFFFAOYSA-N 0 0 395.532 3.374 20 10 GGCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1Cc1ccccn1 ZINC000183457467 1430716377 /nfs/dbraw/zinc/71/63/77/1430716377.db2.gz JMIANXWJHOAYDO-CQSZACIVSA-N 0 0 379.460 3.320 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000183472463 1430720119 /nfs/dbraw/zinc/72/01/19/1430720119.db2.gz QLBMPTAOOWYUPU-ZDUSSCGKSA-N 0 0 390.867 3.009 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000183476111 1430721619 /nfs/dbraw/zinc/72/16/19/1430721619.db2.gz DJQFKDGVVPQHIP-ZDUSSCGKSA-N 0 0 395.434 3.272 20 10 GGCDRN CC1(C)C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C(C)(C)O1 ZINC000183586343 1430748052 /nfs/dbraw/zinc/74/80/52/1430748052.db2.gz GNLRHLLLVLCHSM-WMZOPIPTSA-N 0 0 376.497 3.429 20 10 GGCDRN CC1(C)C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C(C)(C)O1 ZINC000183586374 1430748131 /nfs/dbraw/zinc/74/81/31/1430748131.db2.gz GNLRHLLLVLCHSM-AEFFLSMTSA-N 0 0 376.497 3.429 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C2N=NC(=S)O2)cc1 ZINC000183593313 1430749874 /nfs/dbraw/zinc/74/98/74/1430749874.db2.gz WCPSTYFJJATQKS-UHFFFAOYSA-N 0 0 382.445 3.131 20 10 GGCDRN COc1ccccc1C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000183639799 1430760511 /nfs/dbraw/zinc/76/05/11/1430760511.db2.gz XDYSJTSVQGZROW-IBGZPJMESA-N 0 0 396.487 3.152 20 10 GGCDRN COc1ccccc1C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000183639816 1430760523 /nfs/dbraw/zinc/76/05/23/1430760523.db2.gz XDYSJTSVQGZROW-LJQANCHMSA-N 0 0 396.487 3.152 20 10 GGCDRN COc1cc(N2CCN(CCOc3ccccc3F)CC2)cc(OC)c1OC ZINC000183697472 1430775324 /nfs/dbraw/zinc/77/53/24/1430775324.db2.gz BUVKBONVWJXTAM-UHFFFAOYSA-N 0 0 390.455 3.053 20 10 GGCDRN COc1cc(N2CCN(Cc3cccc(F)c3F)CC2)cc(OC)c1OC ZINC000183699043 1430776177 /nfs/dbraw/zinc/77/61/77/1430776177.db2.gz LCDGCYIVZOMWHL-UHFFFAOYSA-N 0 0 378.419 3.313 20 10 GGCDRN COc1cc(N2CCN(Cc3csc(C4CC4)n3)CC2)cc(OC)c1OC ZINC000183706145 1430777768 /nfs/dbraw/zinc/77/77/68/1430777768.db2.gz NBDXCCMEONMHCC-UHFFFAOYSA-N 0 0 389.521 3.369 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2nc(-c3ccc(F)c(C)c3)no2)cc1 ZINC000183791488 1430794771 /nfs/dbraw/zinc/79/47/71/1430794771.db2.gz FJLCNONDGCWIEY-UHFFFAOYSA-N 0 0 385.395 3.372 20 10 GGCDRN COC(=O)COc1ccc(N(C)CCCc2nc(-c3ccccc3)no2)cc1 ZINC000183791980 1430795054 /nfs/dbraw/zinc/79/50/54/1430795054.db2.gz UJWPMBHBFCOJHY-UHFFFAOYSA-N 0 0 381.432 3.357 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2nc(Cc3ccccc3C)no2)cc1 ZINC000183799459 1430796706 /nfs/dbraw/zinc/79/67/06/1430796706.db2.gz FPWRYIHIWXGDGA-UHFFFAOYSA-N 0 0 381.432 3.157 20 10 GGCDRN COC(=O)C1(CNC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CCOCC1 ZINC000183805386 1430798318 /nfs/dbraw/zinc/79/83/18/1430798318.db2.gz XFAOXXVLMXOLHY-UHFFFAOYSA-N 0 0 384.476 3.102 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000183812771 1430799649 /nfs/dbraw/zinc/79/96/49/1430799649.db2.gz LPZYYKWDLBIKDN-UHFFFAOYSA-N 0 0 389.358 3.203 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000183942395 1430816147 /nfs/dbraw/zinc/81/61/47/1430816147.db2.gz FOESRCUUODIEST-UHFFFAOYSA-N 0 0 398.484 3.112 20 10 GGCDRN Cc1cc(C(=O)NC2(c3ncon3)CCOCC2)c(C)n1-c1cccc(C)c1 ZINC000184059450 1430835856 /nfs/dbraw/zinc/83/58/56/1430835856.db2.gz LQWFSUXTFZXBOH-UHFFFAOYSA-N 0 0 380.448 3.221 20 10 GGCDRN COCCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000184064847 1430836606 /nfs/dbraw/zinc/83/66/06/1430836606.db2.gz XIYVXNSGWPTIEM-UHFFFAOYSA-N 0 0 388.430 3.221 20 10 GGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000184082138 1430838800 /nfs/dbraw/zinc/83/88/00/1430838800.db2.gz STOSRTKTUMMYND-IFMALSPDSA-N 0 0 388.552 3.497 20 10 GGCDRN Cc1c2nnc(C(F)(F)F)n2nc(N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000184148313 1430847339 /nfs/dbraw/zinc/84/73/39/1430847339.db2.gz FFOBMGRCHOSLMM-MRVPVSSYSA-N 0 0 381.358 3.214 20 10 GGCDRN CSc1c(F)cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1F ZINC000184162703 1430849326 /nfs/dbraw/zinc/84/93/26/1430849326.db2.gz WJYTUVNABLSMLD-UHFFFAOYSA-N 0 0 379.432 3.008 20 10 GGCDRN CSc1c(F)cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000184255881 1430863282 /nfs/dbraw/zinc/86/32/82/1430863282.db2.gz HZQHMCSKHPQQCO-UHFFFAOYSA-N 0 0 393.459 3.350 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)Cc3ccc4c(c3)NC(=O)C4)cc2)CC1 ZINC000184277742 1430866724 /nfs/dbraw/zinc/86/67/24/1430866724.db2.gz LWVBVNSFVXWHNW-UHFFFAOYSA-N 0 0 377.488 3.276 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000184339388 1430874992 /nfs/dbraw/zinc/87/49/92/1430874992.db2.gz RAASOQFOAKQIGM-ONNFQVAWSA-N 0 0 383.379 3.049 20 10 GGCDRN C[C@@H](c1nccs1)N1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000184443174 1430888483 /nfs/dbraw/zinc/88/84/83/1430888483.db2.gz WMCPZVNIMBSJTR-KRWDZBQOSA-N 0 0 399.564 3.332 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NC[C@H](C)c3ncc(C)s3)CC2)cc1F ZINC000184465406 1430890859 /nfs/dbraw/zinc/89/08/59/1430890859.db2.gz JYOHDZSQPYTHDU-ZDUSSCGKSA-N 0 0 392.500 3.235 20 10 GGCDRN Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000184504402 1430896075 /nfs/dbraw/zinc/89/60/75/1430896075.db2.gz OJNRILKYBZGUGW-UHFFFAOYSA-N 0 0 394.519 3.225 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3ncoc3-c3ccc(F)cc3)CC2)cc1 ZINC000184696963 1430945211 /nfs/dbraw/zinc/94/52/11/1430945211.db2.gz IUKRMZLJILPSOH-UHFFFAOYSA-N 0 0 381.407 3.452 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@@H]3CCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000184793396 1430979431 /nfs/dbraw/zinc/97/94/31/1430979431.db2.gz ADQGGTZSKYDGHN-HOTGVXAUSA-N 0 0 376.497 3.187 20 10 GGCDRN O=C(CCc1cccc2c1OCO2)NCc1ccc(N2CCSCC2)cc1 ZINC000184805319 1430983213 /nfs/dbraw/zinc/98/32/13/1430983213.db2.gz VYVOSGWEJBVQSC-UHFFFAOYSA-N 0 0 384.501 3.218 20 10 GGCDRN CC1(CO)CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000184825131 1430992338 /nfs/dbraw/zinc/99/23/38/1430992338.db2.gz PHDMPQRVDHPXAF-HNNXBMFYSA-N 0 0 397.466 3.061 20 10 GGCDRN Cc1cccc(F)c1S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000184841593 1431000033 /nfs/dbraw/zinc/00/00/33/1431000033.db2.gz JIXUQGLPHVRQJP-INIZCTEOSA-N 0 0 379.453 3.210 20 10 GGCDRN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000184881685 1431011408 /nfs/dbraw/zinc/01/14/08/1431011408.db2.gz XRVILHAGAJBYAP-MRXNPFEDSA-N 0 0 378.476 3.375 20 10 GGCDRN CC(=O)N1CCN(c2ccc(OC[C@@H](O)c3ccc(F)cc3Cl)cc2)CC1 ZINC000185043548 1431047830 /nfs/dbraw/zinc/04/78/30/1431047830.db2.gz HGQXRPAXWARFKH-HXUWFJFHSA-N 0 0 392.858 3.260 20 10 GGCDRN C[C@@H](c1nccs1)N1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000185071887 1431054099 /nfs/dbraw/zinc/05/40/99/1431054099.db2.gz UZMSTUBOXNOBAF-ZDUSSCGKSA-N 0 0 397.595 3.170 20 10 GGCDRN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185133489 1431069241 /nfs/dbraw/zinc/06/92/41/1431069241.db2.gz QYLOVBLRYMLNJT-AWEZNQCLSA-N 0 0 380.485 3.411 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1[O-] ZINC000185178735 1431078339 /nfs/dbraw/zinc/07/83/39/1431078339.db2.gz YZTBPJHXKYUQRM-AWEZNQCLSA-N 0 0 378.469 3.167 20 10 GGCDRN COc1cc(CN2CCS(=O)(=O)c3ccccc3C2)c(O)c(C(C)(C)C)c1 ZINC000185198415 1431082851 /nfs/dbraw/zinc/08/28/51/1431082851.db2.gz PKQRQENACAYZNO-UHFFFAOYSA-N 0 0 389.517 3.488 20 10 GGCDRN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C2CCCCC2)no1 ZINC000185253848 1431094261 /nfs/dbraw/zinc/09/42/61/1431094261.db2.gz IGHBYFAKNQMYGJ-OAHLLOKOSA-N 0 0 385.512 3.150 20 10 GGCDRN Cc1cc(C(=O)NCCCCCS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000185283572 1431099404 /nfs/dbraw/zinc/09/94/04/1431099404.db2.gz VLMCWSSVLWJOGM-UHFFFAOYSA-N 0 0 380.485 3.178 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NC3CCC(O)(c4cccnc4)CC3)ccc21 ZINC000185292780 1431101902 /nfs/dbraw/zinc/10/19/02/1431101902.db2.gz MHSRPLBXGVHBHG-UHFFFAOYSA-N 0 0 394.519 3.094 20 10 GGCDRN COc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000185412315 1431138968 /nfs/dbraw/zinc/13/89/68/1431138968.db2.gz LNSGXDXDAQGAHO-UHFFFAOYSA-N 0 0 399.516 3.378 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cc(C)c(C)s3)CC2)cc(OC)c1OC ZINC000185477547 1431153716 /nfs/dbraw/zinc/15/37/16/1431153716.db2.gz SCXNQQVROXKZIS-UHFFFAOYSA-N 0 0 390.505 3.353 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cscc3C)CC2)cc(OC)c1OC ZINC000185478031 1431153953 /nfs/dbraw/zinc/15/39/53/1431153953.db2.gz SNPMHTOWDLEMEX-UHFFFAOYSA-N 0 0 376.478 3.045 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3coc4ccccc34)CC2)cc(OC)c1OC ZINC000185479990 1431154183 /nfs/dbraw/zinc/15/41/83/1431154183.db2.gz NHTCFQJRROFVRF-UHFFFAOYSA-N 0 0 396.443 3.421 20 10 GGCDRN COc1cc(N2CCN(C(=O)CC3CCCCC3)CC2)cc(OC)c1OC ZINC000185478413 1431154296 /nfs/dbraw/zinc/15/42/96/1431154296.db2.gz BSZJLGQVAKAAFG-UHFFFAOYSA-N 0 0 376.497 3.331 20 10 GGCDRN O=C(NCC1(CO)CCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000185480114 1431154327 /nfs/dbraw/zinc/15/43/27/1431154327.db2.gz NLJLRCZUPUHEKA-OAHLLOKOSA-N 0 0 397.466 3.109 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000185480218 1431154763 /nfs/dbraw/zinc/15/47/63/1431154763.db2.gz OZLQOZMTCVPQDA-UHFFFAOYSA-N 0 0 390.867 3.328 20 10 GGCDRN COc1cc(N2CCN(C(=O)/C=C/c3cccs3)CC2)cc(OC)c1OC ZINC000185482676 1431155043 /nfs/dbraw/zinc/15/50/43/1431155043.db2.gz 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COc1cccc(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000195049904 1433285608 /nfs/dbraw/zinc/28/56/08/1433285608.db2.gz MPXNGZXTEHSUBB-UHFFFAOYSA-N 0 0 387.455 3.426 20 10 GGCDRN O=C(c1ccc(NCc2cccc(Br)c2O)cc1)N1CCOCC1 ZINC000195094525 1433291406 /nfs/dbraw/zinc/29/14/06/1433291406.db2.gz LTLZNZUDQFRBSF-UHFFFAOYSA-N 0 0 391.265 3.239 20 10 GGCDRN Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)nnn1Cc1ccc(F)cc1 ZINC000195345982 1433321443 /nfs/dbraw/zinc/32/14/43/1433321443.db2.gz HJADBLLTYCGYBQ-UHFFFAOYSA-N 0 0 381.455 3.112 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)C(F)(F)c3ncccc3C)CC2)cc1 ZINC000195444370 1433330406 /nfs/dbraw/zinc/33/04/06/1433330406.db2.gz FWBFXUMEHXJWPB-UHFFFAOYSA-N 0 0 375.419 3.276 20 10 GGCDRN O=[N+]([O-])c1cnc(Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)s1 ZINC000195506366 1433337693 /nfs/dbraw/zinc/33/76/93/1433337693.db2.gz MSEZSFBNIOXJTE-UHFFFAOYSA-N 0 0 390.328 3.077 20 10 GGCDRN COCCn1c(=O)c2ccc(Cl)cc2nc1Sc1ncc([N+](=O)[O-])s1 ZINC000195505431 1433337719 /nfs/dbraw/zinc/33/77/19/1433337719.db2.gz 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GGCDRN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)NCc1ccccc1O ZINC000268204103 1434501601 /nfs/dbraw/zinc/50/16/01/1434501601.db2.gz FMDYJTLJLLJZKW-MRXNPFEDSA-N 0 0 381.476 3.334 20 10 GGCDRN COc1cc(F)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1OC ZINC000268426293 1434521905 /nfs/dbraw/zinc/52/19/05/1434521905.db2.gz QOLIUKSRDYZSRD-OAHLLOKOSA-N 0 0 389.423 3.370 20 10 GGCDRN COc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)n1 ZINC000268499229 1434528036 /nfs/dbraw/zinc/52/80/36/1434528036.db2.gz SIHVMTSITCMBMR-UHFFFAOYSA-N 0 0 390.871 3.244 20 10 GGCDRN CCC(=O)N1CC[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000268507455 1434528424 /nfs/dbraw/zinc/52/84/24/1434528424.db2.gz CPVVKTSKCYKETK-SFHVURJKSA-N 0 0 398.507 3.068 20 10 GGCDRN CC1CCN(C(=O)c2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cc2)CC1 ZINC000268556708 1434533454 /nfs/dbraw/zinc/53/34/54/1434533454.db2.gz JHDQCRFUNHADTG-UHFFFAOYSA-N 0 0 397.475 3.334 20 10 GGCDRN COCCCOc1cccc(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000268734431 1434551185 /nfs/dbraw/zinc/55/11/85/1434551185.db2.gz NBIPGZHNAGISHW-WJDWOHSUSA-N 0 0 390.486 3.491 20 10 GGCDRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000268748409 1434552896 /nfs/dbraw/zinc/55/28/96/1434552896.db2.gz VYMFVWZPMVDCFR-AWEZNQCLSA-N 0 0 391.493 3.133 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1nnc(CC(F)(F)F)s1 ZINC000268908871 1434569912 /nfs/dbraw/zinc/56/99/12/1434569912.db2.gz ATLPWMFFMRKHID-ZZXKWVIFSA-N 0 0 398.410 3.131 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)C2CC2)cc1 ZINC000269091117 1434590773 /nfs/dbraw/zinc/59/07/73/1434590773.db2.gz HESVFQXOKSEGKY-DYESRHJHSA-N 0 0 389.565 3.481 20 10 GGCDRN CN(C)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000269094688 1434591177 /nfs/dbraw/zinc/59/11/77/1434591177.db2.gz RIRPXYMPOFSOME-IUBFCHALSA-N 0 0 393.447 3.120 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000269161049 1434599411 /nfs/dbraw/zinc/59/94/11/1434599411.db2.gz ULVJJMXKJWQALO-UHFFFAOYSA-N 0 0 377.466 3.398 20 10 GGCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1NC(=O)CN1CCCCC1 ZINC000269255676 1434614257 /nfs/dbraw/zinc/61/42/57/1434614257.db2.gz DGKPESDSRHXYDG-UHFFFAOYSA-N 0 0 397.475 3.466 20 10 GGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N(C)[C@@H]2CCN(C)C2=O)cc1 ZINC000269376581 1434633641 /nfs/dbraw/zinc/63/36/41/1434633641.db2.gz BMGSMLFQZZOIRI-VCGVYRDQSA-N 0 0 379.464 3.471 20 10 GGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)NCCCS(C)(=O)=O)cc1 ZINC000269439840 1434646280 /nfs/dbraw/zinc/64/62/80/1434646280.db2.gz JBIXACDWTQNZBY-QURGRASLSA-N 0 0 388.493 3.333 20 10 GGCDRN Cc1noc(C)c1CSc1ncccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000269484994 1434652578 /nfs/dbraw/zinc/65/25/78/1434652578.db2.gz RMBWRSMDARGHSB-UHFFFAOYSA-N 0 0 399.472 3.362 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000270234664 1434715327 /nfs/dbraw/zinc/71/53/27/1434715327.db2.gz OGKXLYDHPFPLAZ-CHAGWJKLSA-N 0 0 383.517 3.361 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000270315735 1434722536 /nfs/dbraw/zinc/72/25/36/1434722536.db2.gz JOGGDGMZOXGUDL-ZBSNKRKSSA-N 0 0 377.485 3.190 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC=C(C(F)(F)F)CC1 ZINC000270444057 1434733733 /nfs/dbraw/zinc/73/37/33/1434733733.db2.gz JYRHKKQSADIXKQ-UHFFFAOYSA-N 0 0 387.377 3.066 20 10 GGCDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000270457715 1434735072 /nfs/dbraw/zinc/73/50/72/1434735072.db2.gz FZUINGJDYYNEOZ-LJQANCHMSA-N 0 0 399.447 3.234 20 10 GGCDRN CC(C)(C)OC(=O)NCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000270566973 1434745632 /nfs/dbraw/zinc/74/56/32/1434745632.db2.gz XMZOUVVDIKGGJO-UHFFFAOYSA-N 0 0 380.485 3.232 20 10 GGCDRN COc1cccc(CNC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000270648482 1434756080 /nfs/dbraw/zinc/75/60/80/1434756080.db2.gz LOTZVZBGRPUASK-CQSZACIVSA-N 0 0 388.464 3.096 20 10 GGCDRN CC(C)(C)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000270682732 1434761417 /nfs/dbraw/zinc/76/14/17/1434761417.db2.gz YXQVQDXQIZPXQW-VQIMIIECSA-N 0 0 393.503 3.055 20 10 GGCDRN CC(C)(C)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000270682723 1434761444 /nfs/dbraw/zinc/76/14/44/1434761444.db2.gz YXQVQDXQIZPXQW-LPHOPBHVSA-N 0 0 393.503 3.055 20 10 GGCDRN COc1ccc(F)cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000271183708 1434806778 /nfs/dbraw/zinc/80/67/78/1434806778.db2.gz YPWBKJHNCOSYMJ-UHFFFAOYSA-N 0 0 385.439 3.030 20 10 GGCDRN COc1cc(N(C)Cc2nc([C@@H](C)OCC(C)C)no2)c([N+](=O)[O-])cc1OC ZINC000271410004 1434822539 /nfs/dbraw/zinc/82/25/39/1434822539.db2.gz SVFXILWYFXNFCE-GFCCVEGCSA-N 0 0 394.428 3.365 20 10 GGCDRN COC1(C)CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000271584326 1434836855 /nfs/dbraw/zinc/83/68/55/1434836855.db2.gz CYNGZBOQIAJUOX-IYBDPMFKSA-N 0 0 393.503 3.150 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(C)c1-c1ccccc1 ZINC000271662258 1434842748 /nfs/dbraw/zinc/84/27/48/1434842748.db2.gz AOOWVDHHKVUXJW-UHFFFAOYSA-N 0 0 390.487 3.196 20 10 GGCDRN C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000271779698 1434849804 /nfs/dbraw/zinc/84/98/04/1434849804.db2.gz VKWHKLLQGXHZIP-NLSVGRBOSA-N 0 0 386.477 3.314 20 10 GGCDRN CC(C)C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000271999179 1434864848 /nfs/dbraw/zinc/86/48/48/1434864848.db2.gz CXGKYUOEGKHNJC-QZTJIDSGSA-N 0 0 393.503 3.055 20 10 GGCDRN C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(N2CCOCC2)c(F)c1 ZINC000272185117 1434876733 /nfs/dbraw/zinc/87/67/33/1434876733.db2.gz RGNLDTWECHIFSH-AWEZNQCLSA-N 0 0 384.455 3.026 20 10 GGCDRN COCC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C)o1 ZINC000272245298 1434881169 /nfs/dbraw/zinc/88/11/69/1434881169.db2.gz XDHOOMZMMMMCMC-IBGZPJMESA-N 0 0 387.480 3.002 20 10 GGCDRN CCC(CC)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000272255946 1434882021 /nfs/dbraw/zinc/88/20/21/1434882021.db2.gz ZFVFEXYHBFABRW-PZJWPPBQSA-N 0 0 389.540 3.306 20 10 GGCDRN CCC(CC)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000272255948 1434882178 /nfs/dbraw/zinc/88/21/78/1434882178.db2.gz ZFVFEXYHBFABRW-TZIWHRDSSA-N 0 0 389.540 3.306 20 10 GGCDRN CC(C)(C)OC(=O)NC[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000272278979 1434883814 /nfs/dbraw/zinc/88/38/14/1434883814.db2.gz FMSBFSJIMDUOGV-INIZCTEOSA-N 0 0 386.448 3.023 20 10 GGCDRN COCC[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccc(C)o1 ZINC000272355965 1434889947 /nfs/dbraw/zinc/88/99/47/1434889947.db2.gz VQXLMEGDSKCRGH-FXVWLTTGSA-N 0 0 384.476 3.332 20 10 GGCDRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272495559 1434900610 /nfs/dbraw/zinc/90/06/10/1434900610.db2.gz SFVMVHYOEOZEEU-TUPIDYKKSA-N 0 0 376.453 3.017 20 10 GGCDRN COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)c(OC)c1OC ZINC000272558498 1434907681 /nfs/dbraw/zinc/90/76/81/1434907681.db2.gz SUVKIZKKCFMDGV-UHFFFAOYSA-N 0 0 377.437 3.375 20 10 GGCDRN COCC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000272561585 1434908154 /nfs/dbraw/zinc/90/81/54/1434908154.db2.gz ONCLKOLXNQQGTI-IBGZPJMESA-N 0 0 387.480 3.035 20 10 GGCDRN COCC[C@@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)c1ccco1 ZINC000272629352 1434917276 /nfs/dbraw/zinc/91/72/76/1434917276.db2.gz YLWDFNBGNLNGIR-QGZVFWFLSA-N 0 0 391.443 3.037 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)NCCCCNC(=O)OC(C)(C)C)cc1 ZINC000272763373 1434929032 /nfs/dbraw/zinc/92/90/32/1434929032.db2.gz GEOUEVFIMYOEHE-UHFFFAOYSA-N 0 0 378.517 3.199 20 10 GGCDRN COc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc(OC)c1OC ZINC000272778367 1434930496 /nfs/dbraw/zinc/93/04/96/1434930496.db2.gz DKAYHJXCDXQTBV-UHFFFAOYSA-N 0 0 387.436 3.209 20 10 GGCDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000272832013 1434934445 /nfs/dbraw/zinc/93/44/45/1434934445.db2.gz NBUFVFIKMJBBFD-AWEZNQCLSA-N 0 0 398.463 3.157 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000272837605 1434935145 /nfs/dbraw/zinc/93/51/45/1434935145.db2.gz LHAMPTTUIVLJDX-UHFFFAOYSA-N 0 0 383.448 3.471 20 10 GGCDRN COCC[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1 ZINC000272856253 1434936185 /nfs/dbraw/zinc/93/61/85/1434936185.db2.gz UDPZHXMJVCHXFA-ZWKOTPCHSA-N 0 0 388.464 3.454 20 10 GGCDRN COc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1NC(C)=O ZINC000272883181 1434938409 /nfs/dbraw/zinc/93/84/09/1434938409.db2.gz XGRPGDQTZMYJPV-UHFFFAOYSA-N 0 0 384.436 3.151 20 10 GGCDRN COc1ccc(C[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000272947297 1434943261 /nfs/dbraw/zinc/94/32/61/1434943261.db2.gz UDVXTZGQHGPNHV-QGZVFWFLSA-N 0 0 398.503 3.035 20 10 GGCDRN COc1ccc(C[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000272947294 1434943333 /nfs/dbraw/zinc/94/33/33/1434943333.db2.gz UDVXTZGQHGPNHV-KRWDZBQOSA-N 0 0 398.503 3.035 20 10 GGCDRN CCC[C@H]1C[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000272992984 1434948019 /nfs/dbraw/zinc/94/80/19/1434948019.db2.gz NHPGVWMZIXROLE-BBRMVZONSA-N 0 0 383.872 3.143 20 10 GGCDRN Cn1cc([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2ccccc2)cn1 ZINC000273080213 1434958678 /nfs/dbraw/zinc/95/86/78/1434958678.db2.gz IWTJVOMHARKJPE-QFIPXVFZSA-N 0 0 380.467 3.275 20 10 GGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1F ZINC000273191186 1434970958 /nfs/dbraw/zinc/97/09/58/1434970958.db2.gz MXOWSIDGAGKWGK-UZLBHIALSA-N 0 0 378.488 3.324 20 10 GGCDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000273205646 1434972452 /nfs/dbraw/zinc/97/24/52/1434972452.db2.gz SDFJHPZPLMMXNV-QWHCGFSZSA-N 0 0 389.473 3.112 20 10 GGCDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1SC ZINC000273230588 1434974112 /nfs/dbraw/zinc/97/41/12/1434974112.db2.gz WXCKTOYAMCWSOZ-SNVBAGLBSA-N 0 0 392.433 3.098 20 10 GGCDRN C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298363 1434979083 /nfs/dbraw/zinc/97/90/83/1434979083.db2.gz AQGYUPMTINPEAI-CZUORRHYSA-N 0 0 377.466 3.086 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC000273303099 1434979459 /nfs/dbraw/zinc/97/94/59/1434979459.db2.gz CBSSRJFRBNKKTR-LLVKDONJSA-N 0 0 384.354 3.366 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)C2CC2)cc1 ZINC000273321574 1434980569 /nfs/dbraw/zinc/98/05/69/1434980569.db2.gz PJXWURJZNNTZJX-FQEVSTJZSA-N 0 0 381.476 3.120 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)C2CC2)cc1 ZINC000273321578 1434980638 /nfs/dbraw/zinc/98/06/38/1434980638.db2.gz PJXWURJZNNTZJX-HXUWFJFHSA-N 0 0 381.476 3.120 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000273359541 1434983135 /nfs/dbraw/zinc/98/31/35/1434983135.db2.gz DKCRJGIAFCRZIB-OAHLLOKOSA-N 0 0 382.460 3.152 20 10 GGCDRN C[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273377057 1434984398 /nfs/dbraw/zinc/98/43/98/1434984398.db2.gz HMJOJAFMHCNHTG-SECBINFHSA-N 0 0 381.314 3.213 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000273387964 1434985538 /nfs/dbraw/zinc/98/55/38/1434985538.db2.gz KAPIYBYOELKWRP-HNNXBMFYSA-N 0 0 382.460 3.152 20 10 GGCDRN CSCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273393006 1434985961 /nfs/dbraw/zinc/98/59/61/1434985961.db2.gz LCKMSJPIAPIJOB-WFASDCNBSA-N 0 0 387.465 3.488 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273404538 1434986705 /nfs/dbraw/zinc/98/67/05/1434986705.db2.gz OENHYGCCKAHARV-HNNXBMFYSA-N 0 0 385.464 3.360 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000273411862 1434987074 /nfs/dbraw/zinc/98/70/74/1434987074.db2.gz PVSYMGSHLWVORK-VLIAUNLRSA-N 0 0 398.459 3.147 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000273411857 1434987114 /nfs/dbraw/zinc/98/71/14/1434987114.db2.gz PVSYMGSHLWVORK-VBKZILBWSA-N 0 0 398.459 3.147 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273421888 1434987810 /nfs/dbraw/zinc/98/78/10/1434987810.db2.gz SFHAKJXHKSFIMI-JTQLQIEISA-N 0 0 394.353 3.091 20 10 GGCDRN CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273432236 1434988449 /nfs/dbraw/zinc/98/84/49/1434988449.db2.gz WAZPWLNZTZUVPS-AWEZNQCLSA-N 0 0 376.497 3.257 20 10 GGCDRN COc1cc(N2CCN(c3ncnc4sccc43)CC2)cc(OC)c1OC ZINC000273438060 1434988841 /nfs/dbraw/zinc/98/88/41/1434988841.db2.gz AVQXLKSGEZHDEN-UHFFFAOYSA-N 0 0 386.477 3.044 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)c1 ZINC000273442939 1434989025 /nfs/dbraw/zinc/98/90/25/1434989025.db2.gz ZCZXCTCBUZTZPR-LBPRGKRZSA-N 0 0 375.421 3.055 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(OC)c(OC)c2OC)c1 ZINC000273443745 1434989062 /nfs/dbraw/zinc/98/90/62/1434989062.db2.gz ZGAHRGASBOELMR-LBPRGKRZSA-N 0 0 375.421 3.055 20 10 GGCDRN CCNC(=O)N1CCc2ccc(N[C@@H](C)c3cc(C(=O)OC)ccc3O)cc21 ZINC000273448064 1434989479 /nfs/dbraw/zinc/98/94/79/1434989479.db2.gz OFALVTHDODEJJP-ZDUSSCGKSA-N 0 0 383.448 3.444 20 10 GGCDRN COC(=O)c1coc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000273483066 1434991649 /nfs/dbraw/zinc/99/16/49/1434991649.db2.gz VCEUNNLFQXMEQU-UHFFFAOYSA-N 0 0 398.381 3.211 20 10 GGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(-n3nnnc3C3CC3)c2)c1 ZINC000273503290 1434992901 /nfs/dbraw/zinc/99/29/01/1434992901.db2.gz ZESMHQYUPSDXHA-LBPRGKRZSA-N 0 0 381.436 3.436 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000273533246 1434994954 /nfs/dbraw/zinc/99/49/54/1434994954.db2.gz WUWYMGUCVFJAIQ-CVEARBPZSA-N 0 0 383.492 3.450 20 10 GGCDRN COc1cc(N2CCN(c3ccc(OC(F)F)cn3)CC2)cc(OC)c1OC ZINC000273537705 1434995450 /nfs/dbraw/zinc/99/54/50/1434995450.db2.gz VWSSZKDQNMDBOB-UHFFFAOYSA-N 0 0 395.406 3.035 20 10 GGCDRN COc1cc(N2CCN(Cc3ncc(C(C)(C)C)o3)CC2)cc(OC)c1OC ZINC000273550652 1434996176 /nfs/dbraw/zinc/99/61/76/1434996176.db2.gz BVRRNBAODXDAPB-UHFFFAOYSA-N 0 0 389.496 3.320 20 10 GGCDRN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CC2)oc1C ZINC000273604551 1434999534 /nfs/dbraw/zinc/99/95/34/1434999534.db2.gz SUKXLTJMVPOIMW-CQSZACIVSA-N 0 0 388.468 3.468 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc(C(C)C)nc3)CC2)cc(OC)c1OC ZINC000273798451 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000276887365 1435240340 /nfs/dbraw/zinc/24/03/40/1435240340.db2.gz NOHRRQXEQIWXPH-OAGGEKHMSA-N 0 0 399.491 3.464 20 10 GGCDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276926313 1435243662 /nfs/dbraw/zinc/24/36/62/1435243662.db2.gz UJKHIBAQXPLQII-UONOGXRCSA-N 0 0 385.464 3.379 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000276986681 1435249905 /nfs/dbraw/zinc/24/99/05/1435249905.db2.gz AZRZLMUEEFOREW-UHFFFAOYSA-N 0 0 396.539 3.132 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNCc3cn(C(C)(C)C)nn3)cc2F)C[C@H](C)O1 ZINC000276993024 1435250481 /nfs/dbraw/zinc/25/04/81/1435250481.db2.gz WRCVTDPPSBZDEP-GASCZTMLSA-N 0 0 375.492 3.076 20 10 GGCDRN C[C@H]1CN(c2ccc(CNCc3cn(C(C)(C)C)nn3)cc2F)C[C@H](C)O1 ZINC000276993026 1435250517 /nfs/dbraw/zinc/25/05/17/1435250517.db2.gz WRCVTDPPSBZDEP-GJZGRUSLSA-N 0 0 375.492 3.076 20 10 GGCDRN Cc1noc(C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)c2ccccc2)n1 ZINC000277068262 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395.868 3.174 20 10 GGCDRN CCO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000277808166 1435332381 /nfs/dbraw/zinc/33/23/81/1435332381.db2.gz XCKBRETUDXOKTC-NRFANRHFSA-N 0 0 383.492 3.100 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cc(C(F)(F)F)ccn1 ZINC000278056628 1435354713 /nfs/dbraw/zinc/35/47/13/1435354713.db2.gz NJHUGTATEIRLCZ-UHFFFAOYSA-N 0 0 380.370 3.259 20 10 GGCDRN O=C(Nc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1)C1CC1 ZINC000278141777 1435363634 /nfs/dbraw/zinc/36/36/34/1435363634.db2.gz RZKPGWXCZCPXHU-UHFFFAOYSA-N 0 0 399.834 3.363 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227666 1435371614 /nfs/dbraw/zinc/37/16/14/1435371614.db2.gz MKUPBDXEBGWYOH-JSGCOSHPSA-N 0 0 395.456 3.044 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227675 1435371643 /nfs/dbraw/zinc/37/16/43/1435371643.db2.gz MKUPBDXEBGWYOH-TZMCWYRMSA-N 0 0 395.456 3.044 20 10 GGCDRN COc1c([O-])c(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278277100 1435375624 /nfs/dbraw/zinc/37/56/24/1435375624.db2.gz SKVLOSIFLUAANN-UHFFFAOYSA-N 0 0 395.456 3.046 20 10 GGCDRN CCOc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1OC ZINC000278285776 1435376410 /nfs/dbraw/zinc/37/64/10/1435376410.db2.gz VWPMQLYDWPLMHE-UHFFFAOYSA-N 0 0 390.823 3.422 20 10 GGCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000278327176 1435380333 /nfs/dbraw/zinc/38/03/33/1435380333.db2.gz UPNXQMAYUAYENJ-HOCLYGCPSA-N 0 0 377.485 3.322 20 10 GGCDRN CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1O ZINC000278348487 1435382621 /nfs/dbraw/zinc/38/26/21/1435382621.db2.gz WVQAWMMSEMTHNB-GOSISDBHSA-N 0 0 399.447 3.189 20 10 GGCDRN CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c(O)c1 ZINC000278374195 1435384978 /nfs/dbraw/zinc/38/49/78/1435384978.db2.gz ZWULIYOASWDEAA-GOSISDBHSA-N 0 0 399.447 3.189 20 10 GGCDRN CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c(O)c1 ZINC000278374200 1435385100 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XRCVHLWWODZMIV-UHFFFAOYSA-N 0 0 390.436 3.022 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278556125 1435399759 /nfs/dbraw/zinc/39/97/59/1435399759.db2.gz ASCGBGIZLBMCPT-ZDUSSCGKSA-N 0 0 395.456 3.046 20 10 GGCDRN CC[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(N(C)C)cc1 ZINC000278560953 1435400027 /nfs/dbraw/zinc/40/00/27/1435400027.db2.gz WPPGGLAUNGOJTO-IBGZPJMESA-N 0 0 379.512 3.488 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278571046 1435401087 /nfs/dbraw/zinc/40/10/87/1435401087.db2.gz CBOHPFYSNZFNMQ-UHFFFAOYSA-N 0 0 396.451 3.269 20 10 GGCDRN COc1c(O)c(CNc2ccc(NC(=O)[C@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278570071 1435401345 /nfs/dbraw/zinc/40/13/45/1435401345.db2.gz CPOFIFVSYGWUKS-MRXNPFEDSA-N 0 0 387.392 3.039 20 10 GGCDRN COC(=O)CCC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000278807111 1435425511 /nfs/dbraw/zinc/42/55/11/1435425511.db2.gz YOGCVLQMTZJBNN-QGZVFWFLSA-N 0 0 388.489 3.344 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)CC(=O)N3C)C2CC2)cc1 ZINC000278807526 1435425524 /nfs/dbraw/zinc/42/55/24/1435425524.db2.gz RXONBHVTXWNJSP-UHFFFAOYSA-N 0 0 378.476 3.468 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855049 1435431710 /nfs/dbraw/zinc/43/17/10/1435431710.db2.gz LLCIJYVAWMIKAL-ZFWWWQNUSA-N 0 0 378.450 3.459 20 10 GGCDRN COCCOC(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278857276 1435432030 /nfs/dbraw/zinc/43/20/30/1435432030.db2.gz LQSZKRAYHKYHHG-UHFFFAOYSA-N 0 0 391.380 3.116 20 10 GGCDRN Cc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000278865515 1435432729 /nfs/dbraw/zinc/43/27/29/1435432729.db2.gz FXKAGKSITTXDCW-UHFFFAOYSA-N 0 0 391.397 3.362 20 10 GGCDRN COc1c(O)c(CNc2ccc(N3CCSCC3)cc2)ccc1[N+](=O)[O-] ZINC000278876391 1435434476 /nfs/dbraw/zinc/43/44/76/1435434476.db2.gz NMPNIONGZWSFLX-UHFFFAOYSA-N 0 0 375.450 3.474 20 10 GGCDRN COc1c(O)c(CNc2ccc(N3CCCC3=O)c(F)c2)ccc1[N+](=O)[O-] ZINC000278886285 1435435515 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0 385.552 3.406 20 10 GGCDRN CCn1nccc1C1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000279206302 1435471507 /nfs/dbraw/zinc/47/15/07/1435471507.db2.gz JWOCLTICDSSADG-VMPITWQZSA-N 0 0 394.519 3.159 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000279321755 1435486437 /nfs/dbraw/zinc/48/64/37/1435486437.db2.gz ZZQHCYWORRABMD-HXSXWYSASA-N 0 0 399.409 3.437 20 10 GGCDRN C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000279388061 1435493695 /nfs/dbraw/zinc/49/36/95/1435493695.db2.gz AKFPQXMPTVCRRA-FOIQADDNSA-N 0 0 397.466 3.203 20 10 GGCDRN CC(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000279397589 1435494957 /nfs/dbraw/zinc/49/49/57/1435494957.db2.gz GUWNUKMQSVZDGD-UHFFFAOYSA-N 0 0 395.507 3.276 20 10 GGCDRN Cc1cc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c(C)n1-c1ccccn1 ZINC000279419502 1435497377 /nfs/dbraw/zinc/49/73/77/1435497377.db2.gz SXOYNLVCCZHJOC-INIZCTEOSA-N 0 0 379.464 3.369 20 10 GGCDRN C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CCO2 ZINC000279469936 1435502822 /nfs/dbraw/zinc/50/28/22/1435502822.db2.gz HIEDHZFFZVEJAH-AVRDEDQJSA-N 0 0 387.524 3.012 20 10 GGCDRN CCn1nccc1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000279524677 1435509535 /nfs/dbraw/zinc/50/95/35/1435509535.db2.gz PUQQKVGMGXNGBP-UHFFFAOYSA-N 0 0 379.508 3.368 20 10 GGCDRN COC[C@@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCO1 ZINC000279566148 1435513647 /nfs/dbraw/zinc/51/36/47/1435513647.db2.gz VPFNNRDZTCGAOP-AJMCHMBZSA-N 0 0 396.447 3.351 20 10 GGCDRN CC(=O)N1CCC[C@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000279623354 1435520115 /nfs/dbraw/zinc/52/01/15/1435520115.db2.gz AYVTVKGQZBMMCZ-HXUWFJFHSA-N 0 0 386.540 3.077 20 10 GGCDRN Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)O2 ZINC000279709088 1435533356 /nfs/dbraw/zinc/53/33/56/1435533356.db2.gz AFNKPJIFOXFVEB-QFIPXVFZSA-N 0 0 398.478 3.105 20 10 GGCDRN COC(=O)c1nc([C@H]2CCCN2Cc2cc(OC)c(OC)cc2O)sc1C ZINC000279723675 1435535393 /nfs/dbraw/zinc/53/53/93/1435535393.db2.gz 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CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)nc1 ZINC000283705370 1435908239 /nfs/dbraw/zinc/90/82/39/1435908239.db2.gz VQQWEUIGHOKZJH-UHFFFAOYSA-N 0 0 385.464 3.342 20 10 GGCDRN Cc1ccsc1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000283714405 1435909432 /nfs/dbraw/zinc/90/94/32/1435909432.db2.gz FHTUDAZYWBEVQO-UHFFFAOYSA-N 0 0 385.533 3.322 20 10 GGCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1nc(C)cs1 ZINC000283715809 1435910067 /nfs/dbraw/zinc/91/00/67/1435910067.db2.gz APYBNHYKIHIONC-QGZVFWFLSA-N 0 0 388.537 3.181 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)cc1OC ZINC000283734359 1435912914 /nfs/dbraw/zinc/91/29/14/1435912914.db2.gz ZBOQMEWRJSAMRS-UHFFFAOYSA-N 0 0 386.448 3.177 20 10 GGCDRN CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000283779829 1435922220 /nfs/dbraw/zinc/92/22/20/1435922220.db2.gz QZKWEJOOHPQWQT-UHFFFAOYSA-N 0 0 396.539 3.161 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccccc1F ZINC000283899304 1435948651 /nfs/dbraw/zinc/94/86/51/1435948651.db2.gz HQQXTDOZQDBXQG-UHFFFAOYSA-N 0 0 383.467 3.091 20 10 GGCDRN CCOCCCCNC(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000283941843 1435957487 /nfs/dbraw/zinc/95/74/87/1435957487.db2.gz FPWVHQHBIVYSKZ-UHFFFAOYSA-N 0 0 389.540 3.005 20 10 GGCDRN O=S1(=O)CCC[C@H](CN(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000284035415 1435977658 /nfs/dbraw/zinc/97/76/58/1435977658.db2.gz IQZWSQVKRGWOBW-OAHLLOKOSA-N 0 0 393.530 3.351 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccc3cccnc32)cc1 ZINC000284121386 1435994662 /nfs/dbraw/zinc/99/46/62/1435994662.db2.gz PGURGQISTACBLZ-UHFFFAOYSA-N 0 0 390.487 3.014 20 10 GGCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(OC)cc1 ZINC000284240623 1436006395 /nfs/dbraw/zinc/00/63/95/1436006395.db2.gz QSYKEIVHUWEZGN-NRFANRHFSA-N 0 0 395.503 3.179 20 10 GGCDRN CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCc2ccccc21 ZINC000284258008 1436007573 /nfs/dbraw/zinc/00/75/73/1436007573.db2.gz RRCMQWLFRFQVIH-NRFANRHFSA-N 0 0 377.488 3.049 20 10 GGCDRN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000284263118 1436008354 /nfs/dbraw/zinc/00/83/54/1436008354.db2.gz GNNPCNSTEFQMGT-KGLIPLIRSA-N 0 0 391.489 3.384 20 10 GGCDRN CCc1nc([C@H](C)NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cs1 ZINC000284367437 1436016406 /nfs/dbraw/zinc/01/64/06/1436016406.db2.gz ZSQWKDCHXVYTAB-AWEZNQCLSA-N 0 0 388.537 3.045 20 10 GGCDRN C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000284421611 1436020431 /nfs/dbraw/zinc/02/04/31/1436020431.db2.gz RHMLXHRQTYXVEI-KRWDZBQOSA-N 0 0 394.519 3.407 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284440047 1436021976 /nfs/dbraw/zinc/02/19/76/1436021976.db2.gz UQCFJJLDTGXNCV-LJQANCHMSA-N 0 0 396.462 3.163 20 10 GGCDRN COC1(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)CCOCC1 ZINC000284597447 1436033116 /nfs/dbraw/zinc/03/31/16/1436033116.db2.gz HJOLVXDTIWAAHC-OAHLLOKOSA-N 0 0 380.916 3.388 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@](O)(c3cn(C(C)C)nn3)C2)c(C)n1-c1ccccc1 ZINC000284617030 1436034831 /nfs/dbraw/zinc/03/48/31/1436034831.db2.gz MQDJDGUNFSTWFV-QFIPXVFZSA-N 0 0 393.491 3.000 20 10 GGCDRN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000284726265 1436043742 /nfs/dbraw/zinc/04/37/42/1436043742.db2.gz CWKSIQHUZJZYIF-OMXAPOSASA-N 0 0 397.306 3.445 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(Cl)n1 ZINC000284804250 1436051541 /nfs/dbraw/zinc/05/15/41/1436051541.db2.gz PUBKXJQBCCOOKL-UHFFFAOYSA-N 0 0 386.883 3.322 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+]CCOc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821196652 1441471129 /nfs/dbraw/zinc/47/11/29/1441471129.db2.gz CWBIHGUTIROSDS-UHFFFAOYSA-N 0 0 384.459 3.021 20 10 GGCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821222707 1441557147 /nfs/dbraw/zinc/55/71/47/1441557147.db2.gz XLKIDUYQSMILDJ-LBPRGKRZSA-N 0 0 383.427 3.497 20 10 GGCDRN Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c1-c1nnn[n-]1 ZINC000826312935 1441851854 /nfs/dbraw/zinc/85/18/54/1441851854.db2.gz RRRUXWORIHRWTG-OAHLLOKOSA-N 0 0 399.886 3.006 20 10 GGCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000826210585 1441904780 /nfs/dbraw/zinc/90/47/80/1441904780.db2.gz XEPPLAIKSOHIOF-SNVBAGLBSA-N 0 0 391.378 3.033 20 10 GGCDRN COc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000821831704 1442474649 /nfs/dbraw/zinc/47/46/49/1442474649.db2.gz JZRKWPGOHKMMDL-HNNXBMFYSA-N 0 0 378.480 3.195 20 10 GGCDRN CN(C)c1ccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1F ZINC000736781263 1443342742 /nfs/dbraw/zinc/34/27/42/1443342742.db2.gz XCUMRSNDOMVANJ-UHFFFAOYSA-N 0 0 386.500 3.095 20 10 GGCDRN O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737865307 1443810158 /nfs/dbraw/zinc/81/01/58/1443810158.db2.gz QCJYFCHMXQNQRG-UHFFFAOYSA-N 0 0 398.492 3.017 20 10 GGCDRN COc1ccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC000826202845 1446334198 /nfs/dbraw/zinc/33/41/98/1446334198.db2.gz PRTCKCHXCKAQTH-UHFFFAOYSA-N 0 0 394.479 3.059 20 10 GGCDRN CCOCc1cc(C[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1OC ZINC000825605120 1446864243 /nfs/dbraw/zinc/86/42/43/1446864243.db2.gz QKPKYOQSMKUOSJ-UHFFFAOYSA-N 0 0 379.464 3.191 20 10 GGCDRN CCOc1ccc(O)c(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000825643090 1447135199 /nfs/dbraw/zinc/13/51/99/1447135199.db2.gz IJLFJKYZUUIALT-UHFFFAOYSA-N 0 0 395.463 3.014 20 10 GGCDRN CCOc1cccc(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1O ZINC000825649099 1449087977 /nfs/dbraw/zinc/08/79/77/1449087977.db2.gz LBKZRTUGSZHJRR-UHFFFAOYSA-N 0 0 377.448 3.260 20 10 GGCDRN CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435386 1450097287 /nfs/dbraw/zinc/09/72/87/1450097287.db2.gz WOCUZFMTPWYTBQ-QGZVFWFLSA-N 0 0 392.507 3.286 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNc1c(-c2nn[nH]n2)cnc2c(C)cc(F)cc21 ZINC000822206171 945993813 /nfs/dbraw/zinc/99/38/13/945993813.db2.gz WVMOWGZNDKDUFU-UHFFFAOYSA-N 0 0 391.454 3.271 20 10 GGCDRN Cc1ccnc(N(Cc2ccco2)Cc2ccc(N(C)C)cc2)c1-c1nn[nH]n1 ZINC000826309680 947890822 /nfs/dbraw/zinc/89/08/22/947890822.db2.gz XVXOBYXJCKSSQS-UHFFFAOYSA-N 0 0 389.463 3.436 20 10 GGCDRN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)C[C@H]1c1ccccc1 ZINC001595191232 952283210 /nfs/dbraw/zinc/28/32/10/952283210.db2.gz GRBOZHBSKNSBLS-JKSUJKDBSA-N 0 0 376.250 3.455 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1c(Br)cccc1-c1nn[nH]n1 ZINC001575187511 952441503 /nfs/dbraw/zinc/44/15/03/952441503.db2.gz CLSGNSQTPPIYSD-VIFPVBQESA-N 0 0 390.241 3.084 20 10 GGCDRN CN(C)c1ccc([C@H](CNC(=O)Nc2cccc(CCC(=O)[O-])c2)[NH+](C)C)cc1 ZINC001593708780 954167869 /nfs/dbraw/zinc/16/78/69/954167869.db2.gz AEWCENABVZFQMV-FQEVSTJZSA-N 0 0 398.507 3.194 20 10 GGCDRN Cc1cc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1C(=O)[O-] ZINC001594319509 958111917 /nfs/dbraw/zinc/11/19/17/958111917.db2.gz GHQJEWOPPOVSSU-LJQANCHMSA-N 0 0 384.480 3.184 20 10 GGCDRN CN1CCCc2cc(C[NH2+]Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)ccc21 ZINC001574029093 961989255 /nfs/dbraw/zinc/98/92/55/961989255.db2.gz BAHGFKUKJBDZJR-GOSISDBHSA-N 0 0 383.492 3.253 20 10 GGCDRN COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cn1cccn1 ZINC001574214497 962938440 /nfs/dbraw/zinc/93/84/40/962938440.db2.gz XTYNJCWPNMRQIL-UXHICEINSA-N 0 0 377.444 3.343 20 10 GGCDRN O=C([O-])/C=C\c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796553424 978832943 /nfs/dbraw/zinc/83/29/43/978832943.db2.gz FAOGPGCQHNTNEE-CLFYSBASSA-N 0 0 381.432 3.057 20 10 GGCDRN O=C([O-])/C=C/c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000796553425 978833287 /nfs/dbraw/zinc/83/32/87/978833287.db2.gz FAOGPGCQHNTNEE-VQHVLOKHSA-N 0 0 381.432 3.057 20 10 GGCDRN O=C([O-])/C=C\c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000844213310 979372598 /nfs/dbraw/zinc/37/25/98/979372598.db2.gz WSIPEVWFXOVIHG-HTYVVJRYSA-N 0 0 393.443 3.261 20 10 GGCDRN COc1cc(Br)cc(C[NH2+]C[C@@](C)(C(=O)[O-])c2ccccc2)c1O ZINC000844940710 979403926 /nfs/dbraw/zinc/40/39/26/979403926.db2.gz XXJVCHZAJGFOOB-GOSISDBHSA-N 0 0 394.265 3.295 20 10 GGCDRN C[C@](Cc1ccc(Cl)cc1)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001592841087 979613292 /nfs/dbraw/zinc/61/32/92/979613292.db2.gz YLPGYARRSGJCLS-OAQYLSRUSA-N 0 0 388.895 3.352 20 10 GGCDRN O=C([O-])c1ccc(C[NH2+]Cc2c(O)cccc2Br)nc1C1CC1 ZINC000864514295 979941278 /nfs/dbraw/zinc/94/12/78/979941278.db2.gz RXEJPEAFHRFSLY-UHFFFAOYSA-N 0 0 377.238 3.415 20 10 GGCDRN COC[C@@](C)(CC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000901793513 980523662 /nfs/dbraw/zinc/52/36/62/980523662.db2.gz MZMIPJYVJDHFBZ-GOSISDBHSA-N 0 0 399.329 3.409 20 10 GGCDRN O=C([O-])C[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCOC1 ZINC000901837377 980556088 /nfs/dbraw/zinc/55/60/88/980556088.db2.gz XCLCBPGKVYLOLV-SFHVURJKSA-N 0 0 397.313 3.163 20 10 GGCDRN O=C([O-])c1cnc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)s1 ZINC000901931875 980636622 /nfs/dbraw/zinc/63/66/22/980636622.db2.gz QCNWSRJKDRLAHT-UHFFFAOYSA-N 0 0 387.505 3.058 20 10 GGCDRN CN(C)c1ccc([C@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)[NH+](C)C)cc1 ZINC000908352727 981306698 /nfs/dbraw/zinc/30/66/98/981306698.db2.gz SMLORYVQRQNHKZ-SFHVURJKSA-N 0 0 389.883 3.137 20 10 GGCDRN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910352390 981886261 /nfs/dbraw/zinc/88/62/61/981886261.db2.gz OPPRDKFBJQCOBH-VQHVLOKHSA-N 0 0 387.411 3.400 20 10 GGCDRN CN(C)c1ccc([C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000910395114 981917226 /nfs/dbraw/zinc/91/72/26/981917226.db2.gz NPTOJPSMFHSSDJ-YLZBSDIZSA-N 0 0 398.463 3.473 20 10 GGCDRN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001595756008 982452214 /nfs/dbraw/zinc/45/22/14/982452214.db2.gz OGUDPDLCBJKOKH-MRXNPFEDSA-N 0 0 384.476 3.372 20 10 GGCDRN CCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccccc1O ZINC001595846243 982771880 /nfs/dbraw/zinc/77/18/80/982771880.db2.gz NVSTWPDPYGTURO-UHFFFAOYSA-N 0 0 388.489 3.491 20 10 GGCDRN Cc1[nH]c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1C(=O)[O-] ZINC001599962708 985821441 /nfs/dbraw/zinc/82/14/41/985821441.db2.gz CPFCXAWXJOWXRM-CHWSQXEVSA-N 0 0 375.444 3.064 20 10 GGCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1O ZINC001589267789 985949820 /nfs/dbraw/zinc/94/98/20/985949820.db2.gz IXWRPAIDPGRLDK-ZWKOTPCHSA-N 0 0 389.835 3.254 20 10 GGCDRN CSCC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795071 988083038 /nfs/dbraw/zinc/08/30/38/988083038.db2.gz XGBVSPOUBTUAKQ-SWLSCSKDSA-N 0 0 386.477 3.278 20 10 GGCDRN CSCC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1nnc2ccccn21 ZINC001599795070 988083728 /nfs/dbraw/zinc/08/37/28/988083728.db2.gz XGBVSPOUBTUAKQ-IUODEOHRSA-N 0 0 386.477 3.278 20 10 GGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314416 991297126 /nfs/dbraw/zinc/29/71/26/991297126.db2.gz RQPYKKKUHIZVCO-XQQSMPNESA-N 0 0 379.460 3.007 20 10 GGCDRN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(Br)ccc1O ZINC001598523419 992687540 /nfs/dbraw/zinc/68/75/40/992687540.db2.gz FGJXQBPPVRYVAR-UHFFFAOYSA-N 0 0 380.238 3.250 20 10 GGCDRN CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001591596883 992826161 /nfs/dbraw/zinc/82/61/61/992826161.db2.gz STBRFOCWAZUDOS-UHFFFAOYSA-N 0 0 381.476 3.275 20 10 GGCDRN COc1ccc(N2CC[C@@H]([NH2+]Cc3oc(Br)cc3C(=O)[O-])C2)cc1 ZINC001599585610 993609338 /nfs/dbraw/zinc/60/93/38/993609338.db2.gz GRMCCKRATJWOPZ-LLVKDONJSA-N 0 0 395.253 3.117 20 10 GGCDRN COc1ccc(O)c(C[NH2+][C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC001599598272 993777625 /nfs/dbraw/zinc/77/76/25/993777625.db2.gz JWGJPNZDNXGYKT-QGZVFWFLSA-N 0 0 380.238 3.253 20 10 GGCDRN C[C@H]([NH2+][C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593204373 994200574 /nfs/dbraw/zinc/20/05/74/994200574.db2.gz QMHOTCGFNSMKMF-IRXDYDNUSA-N 0 0 384.476 3.398 20 10 GGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593218368 994284332 /nfs/dbraw/zinc/28/43/32/994284332.db2.gz HWEDESWVHQLALD-HEHGZKQESA-N 0 0 378.469 3.387 20 10 GGCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])ccc1O ZINC001593230027 994356578 /nfs/dbraw/zinc/35/65/78/994356578.db2.gz AUVDYMPHAHSZQR-QLJPJBMISA-N 0 0 392.814 3.339 20 10 GGCDRN C[C@@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593247977 994467421 /nfs/dbraw/zinc/46/74/21/994467421.db2.gz IJAXQXCLLSCWLK-MRXNPFEDSA-N 0 0 376.497 3.024 20 10 GGCDRN C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255919 994518346 /nfs/dbraw/zinc/51/83/46/994518346.db2.gz FKGQRWALDZDBID-APWZRJJASA-N 0 0 384.476 3.032 20 10 GGCDRN C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593265795 994575575 /nfs/dbraw/zinc/57/55/75/994575575.db2.gz XJZHZPJWIDFYMP-ZIAGYGMSSA-N 0 0 378.469 3.388 20 10 GGCDRN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2cc(F)cc(C(C)=O)c2O)c1 ZINC001599656362 994586608 /nfs/dbraw/zinc/58/66/08/994586608.db2.gz VJJGUZABTFGQJI-HXUWFJFHSA-N 0 0 375.396 3.222 20 10 GGCDRN 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MATYISHNAQKQBV-UHFFFAOYSA-N 0 0 377.535 3.124 20 10 GGCDRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1nccs1 ZINC000054943296 564612429 /nfs/dbraw/zinc/61/24/29/564612429.db2.gz GEBSIMOCBXELFB-UHFFFAOYSA-N 0 0 379.507 3.121 20 10 GGCDRN Oc1ccccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000128333499 564615009 /nfs/dbraw/zinc/61/50/09/564615009.db2.gz IOLDFYLQHVIJKQ-UHFFFAOYSA-N 0 0 377.282 3.281 20 10 GGCDRN Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000057192369 564662544 /nfs/dbraw/zinc/66/25/44/564662544.db2.gz IREUURNGXADAFE-MRXNPFEDSA-N 0 0 380.897 3.007 20 10 GGCDRN CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3nsnc32)c(Cl)c1 ZINC000057785377 564674424 /nfs/dbraw/zinc/67/44/24/564674424.db2.gz JOUXRIGFVIOXPB-UHFFFAOYSA-N 0 0 382.854 3.104 20 10 GGCDRN C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037753 564699179 /nfs/dbraw/zinc/69/91/79/564699179.db2.gz AQELRGZKUSFZKO-NTCNTBNZSA-N 0 0 399.148 3.116 20 10 GGCDRN C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037549 564699502 /nfs/dbraw/zinc/69/95/02/564699502.db2.gz AQELRGZKUSFZKO-DCXZOGHSSA-N 0 0 399.148 3.116 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cccc(Br)n3)CC2)cc1 ZINC000136553892 564852949 /nfs/dbraw/zinc/85/29/49/564852949.db2.gz KIZCZPIPHPGFPG-UHFFFAOYSA-N 0 0 390.281 3.205 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1C ZINC000105591166 564969647 /nfs/dbraw/zinc/96/96/47/564969647.db2.gz UEDQWICYDWVHIC-UHFFFAOYSA-N 0 0 386.470 3.005 20 10 GGCDRN Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)c1Cl ZINC000154873832 565055452 /nfs/dbraw/zinc/05/54/52/565055452.db2.gz VVSKLGPRNWLGHZ-UHFFFAOYSA-N 0 0 380.275 3.463 20 10 GGCDRN O=C(c1cccc(Br)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000155140004 565062597 /nfs/dbraw/zinc/06/25/97/565062597.db2.gz BASUBOVATKNOQG-AWEZNQCLSA-N 0 0 391.265 3.371 20 10 GGCDRN CC[C@](C)(O)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000266578530 565085367 /nfs/dbraw/zinc/08/53/67/565085367.db2.gz QGIHFHSVIJKMLP-QFSNBGPKSA-N 0 0 398.575 3.007 20 10 GGCDRN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156723373 565102194 /nfs/dbraw/zinc/10/21/94/565102194.db2.gz ZUKYLFWMYTXFCT-GXFFZTMASA-N 0 0 385.295 3.493 20 10 GGCDRN CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156722955 565102292 /nfs/dbraw/zinc/10/22/92/565102292.db2.gz ZUKYLFWMYTXFCT-MFKMUULPSA-N 0 0 385.295 3.493 20 10 GGCDRN CC1(C)CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CCS1 ZINC000267713603 565128878 /nfs/dbraw/zinc/12/88/78/565128878.db2.gz SYCQBBIHMHLHBF-UHFFFAOYSA-N 0 0 378.563 3.369 20 10 GGCDRN CN(C)c1ccc(CN2CCC(CS(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000292826192 565136524 /nfs/dbraw/zinc/13/65/24/565136524.db2.gz QOLMVEVUZUNLQS-UHFFFAOYSA-N 0 0 378.460 3.028 20 10 GGCDRN COc1cc(Cl)cc(CN2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000184682536 565152781 /nfs/dbraw/zinc/15/27/81/565152781.db2.gz JRGLZCUQCJAHKH-UHFFFAOYSA-N 0 0 380.897 3.464 20 10 GGCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cncc(Br)c1 ZINC000184750680 565155018 /nfs/dbraw/zinc/15/50/18/565155018.db2.gz CQOBOOREDHBXQI-VZUCSPMQSA-N 0 0 399.204 3.407 20 10 GGCDRN CSc1nsc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000268573708 565158501 /nfs/dbraw/zinc/15/85/01/565158501.db2.gz IAKMPBQPOXABHI-LBPRGKRZSA-N 0 0 380.495 3.179 20 10 GGCDRN CSc1nsc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000268573705 565159302 /nfs/dbraw/zinc/15/93/02/565159302.db2.gz IAKMPBQPOXABHI-GFCCVEGCSA-N 0 0 380.495 3.179 20 10 GGCDRN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000184979383 565168797 /nfs/dbraw/zinc/16/87/97/565168797.db2.gz JELPOPFNELAAAL-JTQLQIEISA-N 0 0 381.325 3.164 20 10 GGCDRN C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185256842 565190600 /nfs/dbraw/zinc/19/06/00/565190600.db2.gz DWCZRINDBAAEPD-JTQLQIEISA-N 0 0 381.325 3.021 20 10 GGCDRN C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185256858 565190628 /nfs/dbraw/zinc/19/06/28/565190628.db2.gz DWCZRINDBAAEPD-SNVBAGLBSA-N 0 0 381.325 3.021 20 10 GGCDRN C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000185264506 565191258 /nfs/dbraw/zinc/19/12/58/565191258.db2.gz PWGLZCFFIVYFHO-QMMMGPOBSA-N 0 0 394.107 3.046 20 10 GGCDRN Cc1cc(Br)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000294025136 565194716 /nfs/dbraw/zinc/19/47/16/565194716.db2.gz NUNJHOSQMKUMON-KRWDZBQOSA-N 0 0 384.314 3.120 20 10 GGCDRN O=C(CSC(F)F)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000294324344 565207607 /nfs/dbraw/zinc/20/76/07/565207607.db2.gz FAYDPCHHHUKMIU-UHFFFAOYSA-N 0 0 384.370 3.114 20 10 GGCDRN CS[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000160100957 565230036 /nfs/dbraw/zinc/23/00/36/565230036.db2.gz SAECIALEANZVNV-LBPRGKRZSA-N 0 0 376.444 3.300 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2c(Br)cnn2C)C2CC2)cc1 ZINC000294920723 565235602 /nfs/dbraw/zinc/23/56/02/565235602.db2.gz AUFVNSZACZSWLS-UHFFFAOYSA-N 0 0 377.286 3.053 20 10 GGCDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186100813 565239724 /nfs/dbraw/zinc/23/97/24/565239724.db2.gz FSCRKANXAWMHPA-JTQLQIEISA-N 0 0 393.336 3.306 20 10 GGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000295167459 565249232 /nfs/dbraw/zinc/24/92/32/565249232.db2.gz HVSQVDFKNLCOBK-SECBINFHSA-N 0 0 381.435 3.266 20 10 GGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)s1 ZINC000295283300 565257672 /nfs/dbraw/zinc/25/76/72/565257672.db2.gz KWKFICIDWFUGJG-VIFPVBQESA-N 0 0 382.463 3.066 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295320402 565258763 /nfs/dbraw/zinc/25/87/63/565258763.db2.gz ODCAPPPJPIWLET-UHFFFAOYSA-N 0 0 380.491 3.126 20 10 GGCDRN COC(=O)c1cnc(S[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)s1 ZINC000295333575 565260117 /nfs/dbraw/zinc/26/01/17/565260117.db2.gz PEHIEEOTCPIEPY-JTQLQIEISA-N 0 0 390.408 3.137 20 10 GGCDRN C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])c1cn[nH]c1 ZINC000271773346 565267033 /nfs/dbraw/zinc/26/70/33/565267033.db2.gz CAGHKOZWBNXNCX-ZETCQYMHSA-N 0 0 375.064 3.491 20 10 GGCDRN CCn1cc(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])cn1 ZINC000271775156 565267235 /nfs/dbraw/zinc/26/72/35/565267235.db2.gz CIVNYTSZCUFVHV-UHFFFAOYSA-N 0 0 389.091 3.423 20 10 GGCDRN CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)c3ccccc3C2)c1O ZINC000186535992 565267551 /nfs/dbraw/zinc/26/75/51/565267551.db2.gz JWUQKWDKOINZDP-UHFFFAOYSA-N 0 0 379.865 3.038 20 10 GGCDRN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000186540336 565267730 /nfs/dbraw/zinc/26/77/30/565267730.db2.gz ZEAAZMPOZJBPNQ-KEJSXXJDSA-N 0 0 399.148 3.335 20 10 GGCDRN Cc1cc(Br)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O ZINC000271894289 565271892 /nfs/dbraw/zinc/27/18/92/565271892.db2.gz XTEKQFJYXBZIBR-UHFFFAOYSA-N 0 0 391.191 3.089 20 10 GGCDRN COC1CCN(c2ccc(Cn3cc(I)cn3)cc2)CC1 ZINC000295889407 565291375 /nfs/dbraw/zinc/29/13/75/565291375.db2.gz DMUDQZOYVVIHEI-UHFFFAOYSA-N 0 0 397.260 3.151 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccncc1Br ZINC000272765418 565296560 /nfs/dbraw/zinc/29/65/60/565296560.db2.gz BECXDUJUEFHYBT-UHFFFAOYSA-N 0 0 377.242 3.341 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000187018606 565302617 /nfs/dbraw/zinc/30/26/17/565302617.db2.gz IUDQRCNIRFVLHO-OAHLLOKOSA-N 0 0 378.222 3.074 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)c2cnn(C)c2Br)cc1F ZINC000273286364 565315128 /nfs/dbraw/zinc/31/51/28/565315128.db2.gz XJGPDSORJIAMDN-UHFFFAOYSA-N 0 0 383.265 3.098 20 10 GGCDRN CN(Cc1cnc(Br)s1)Cc1ccc(N2CCOCC2)cc1 ZINC000296602257 565325804 /nfs/dbraw/zinc/32/58/04/565325804.db2.gz SWDIFLGKIOHBFB-UHFFFAOYSA-N 0 0 382.327 3.374 20 10 GGCDRN CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273585184 565326124 /nfs/dbraw/zinc/32/61/24/565326124.db2.gz NPNZIRIELFVCHW-MRVPVSSYSA-N 0 0 394.107 3.094 20 10 GGCDRN C[C@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CCS1(=O)=O ZINC000296637501 565327480 /nfs/dbraw/zinc/32/74/80/565327480.db2.gz CEKJCAHYFSSGOM-INIZCTEOSA-N 0 0 378.563 3.394 20 10 GGCDRN C[C@@H]1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CCS1(=O)=O ZINC000296637502 565327613 /nfs/dbraw/zinc/32/76/13/565327613.db2.gz CEKJCAHYFSSGOM-MRXNPFEDSA-N 0 0 378.563 3.394 20 10 GGCDRN C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296754504 565334229 /nfs/dbraw/zinc/33/42/29/565334229.db2.gz KNPRULHBWURBAS-MRXNPFEDSA-N 0 0 378.563 3.394 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)c3cnn(C)c3Br)cc2)CC1 ZINC000274176780 565359819 /nfs/dbraw/zinc/35/98/19/565359819.db2.gz JBYPKNYFERHHOI-UHFFFAOYSA-N 0 0 391.313 3.349 20 10 GGCDRN Nc1ccc(CC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000165746176 565370801 /nfs/dbraw/zinc/37/08/01/565370801.db2.gz SBEGZZWXVRGGGN-OAHLLOKOSA-N 0 0 388.309 3.217 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nnc(C(C)C)[nH]1 ZINC000297617243 565378962 /nfs/dbraw/zinc/37/89/62/565378962.db2.gz AMMGJALVSIHSCM-UHFFFAOYSA-N 0 0 396.289 3.128 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000188520645 565407028 /nfs/dbraw/zinc/40/70/28/565407028.db2.gz JWXVRDCFULOANZ-WFASDCNBSA-N 0 0 385.302 3.237 20 10 GGCDRN CCOCCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298375731 565411125 /nfs/dbraw/zinc/41/11/25/565411125.db2.gz NOCXWALUZIZUOE-OWBHPGMISA-N 0 0 398.575 3.272 20 10 GGCDRN Cc1cc(Br)oc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298667983 565424810 /nfs/dbraw/zinc/42/48/10/565424810.db2.gz MSOOVIMTUZIOAX-UHFFFAOYSA-N 0 0 393.281 3.459 20 10 GGCDRN COc1ccc(O)c(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)c1 ZINC000301250461 565475389 /nfs/dbraw/zinc/47/53/89/565475389.db2.gz CYJAJCBLMPZBOG-UHFFFAOYSA-N 0 0 379.331 3.446 20 10 GGCDRN Cn1nc(Br)c2c1ncnc2NCc1c(O)ccc2c1CCCC2 ZINC000301472318 565488787 /nfs/dbraw/zinc/48/87/87/565488787.db2.gz ULBNQCDJADCOJF-UHFFFAOYSA-N 0 0 388.269 3.322 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)c1csc([C@H]2CCCO2)n1 ZINC000277453809 565498003 /nfs/dbraw/zinc/49/80/03/565498003.db2.gz GKDYAUFEVHWIPT-GFCCVEGCSA-N 0 0 383.267 3.393 20 10 GGCDRN O=C(CCc1nc(C2CCCC2)no1)NCc1cccc(Br)c1O ZINC000277545168 565505913 /nfs/dbraw/zinc/50/59/13/565505913.db2.gz NPAPGYWSSCDFJH-UHFFFAOYSA-N 0 0 394.269 3.444 20 10 GGCDRN O=[N+]([O-])c1cc(Br)cnc1NCc1ccc(N2CCOCC2)cc1 ZINC000301711453 565507042 /nfs/dbraw/zinc/50/70/42/565507042.db2.gz XXTPNKJAELAJPU-UHFFFAOYSA-N 0 0 393.241 3.201 20 10 GGCDRN O=C(CCSCc1ccccn1)NCc1cccc(Br)c1O ZINC000277602591 565508573 /nfs/dbraw/zinc/50/85/73/565508573.db2.gz UIVFDMFUFHPRKY-UHFFFAOYSA-N 0 0 381.295 3.489 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)c1ncnc2c1c(Br)nn2C ZINC000301781406 565509095 /nfs/dbraw/zinc/50/90/95/565509095.db2.gz SQYDNWBGOZDALJ-UHFFFAOYSA-N 0 0 389.301 3.218 20 10 GGCDRN O=C(C[C@@H]1OCCc2ccccc21)NCc1cccc(Br)c1O ZINC000277608876 565509783 /nfs/dbraw/zinc/50/97/83/565509783.db2.gz UZWXBUUFCKBGQK-INIZCTEOSA-N 0 0 376.250 3.475 20 10 GGCDRN CCc1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC000277738053 565517769 /nfs/dbraw/zinc/51/77/69/565517769.db2.gz IYBWWHJFFPNEBH-UHFFFAOYSA-N 0 0 379.869 3.071 20 10 GGCDRN COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(C)o1 ZINC000277754748 565518469 /nfs/dbraw/zinc/51/84/69/565518469.db2.gz NRUGEEZUYWRFFY-CYBMUJFWSA-N 0 0 383.242 3.243 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)N[C@H](CCCO)c1ccccc1 ZINC000277791647 565520810 /nfs/dbraw/zinc/52/08/10/565520810.db2.gz SGYQSUXWOXGDFV-MRXNPFEDSA-N 0 0 393.281 3.468 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(Br)cc1 ZINC000173184768 565535196 /nfs/dbraw/zinc/53/51/96/565535196.db2.gz UWQOYEYHGUAIFU-UHFFFAOYSA-N 0 0 375.266 3.483 20 10 GGCDRN CS(=O)(=O)Cc1nc(CN2CCCc3cc(OC(F)F)ccc32)cs1 ZINC000173244605 565540869 /nfs/dbraw/zinc/54/08/69/565540869.db2.gz OTLAQLXDKQZGMS-UHFFFAOYSA-N 0 0 388.461 3.242 20 10 GGCDRN C[C@H](Nc1ncnc2c1c(Br)nn2C)c1ccc(N(C)C)cc1 ZINC000302457351 565542012 /nfs/dbraw/zinc/54/20/12/565542012.db2.gz UQJTWDJUJJCHJI-JTQLQIEISA-N 0 0 375.274 3.365 20 10 GGCDRN O=C(Cc1cc[nH]c(=O)c1Br)NCc1ccc(N2CCCC2)cc1 ZINC000278191269 565543893 /nfs/dbraw/zinc/54/38/93/565543893.db2.gz UXXCBTKSAHSARU-UHFFFAOYSA-N 0 0 390.281 3.009 20 10 GGCDRN CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000278206754 565545210 /nfs/dbraw/zinc/54/52/10/565545210.db2.gz HEPXJUHCZIZWJK-SNVBAGLBSA-N 0 0 389.304 3.458 20 10 GGCDRN COc1cc(C[NH2+]Cc2cccc(Br)c2[O-])c([N+](=O)[O-])cc1OC ZINC000278327716 565552201 /nfs/dbraw/zinc/55/22/01/565552201.db2.gz GTWPMWSXKJHMTG-UHFFFAOYSA-N 0 0 397.225 3.370 20 10 GGCDRN COc1c(O)c(CNc2ccc(Cl)c(C[S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278497115 565562486 /nfs/dbraw/zinc/56/24/86/565562486.db2.gz MSZKTKMKVOIGHX-RUZDIDTESA-N 0 0 384.841 3.453 20 10 GGCDRN COC(=O)c1sc(S(=O)(=O)N(C)Cc2ccccc2O)c(C)c1Cl ZINC000278841269 565581006 /nfs/dbraw/zinc/58/10/06/565581006.db2.gz PRIOCNPVHWKVLV-UHFFFAOYSA-N 0 0 389.882 3.023 20 10 GGCDRN C[C@@H](O)CCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000279083901 565594777 /nfs/dbraw/zinc/59/47/77/565594777.db2.gz HOZZUOAKZYJBJG-POKNLVKOSA-N 0 0 398.575 3.007 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccc(=O)[nH]c1 ZINC000279765846 565633121 /nfs/dbraw/zinc/63/31/21/565633121.db2.gz FKWUOSQRDPBVOD-UHFFFAOYSA-N 0 0 379.254 3.237 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)nn1C ZINC000191890073 565640317 /nfs/dbraw/zinc/64/03/17/565640317.db2.gz AIJZWIUYYSLVGN-UHFFFAOYSA-N 0 0 391.313 3.445 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2C)cc1C ZINC000174684516 565652511 /nfs/dbraw/zinc/65/25/11/565652511.db2.gz SSCABBFZBPZFHP-UHFFFAOYSA-N 0 0 386.470 3.005 20 10 GGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(Br)cn2)c1O ZINC000280159291 565655681 /nfs/dbraw/zinc/65/56/81/565655681.db2.gz FFCKGUDKNJQEOQ-JTQLQIEISA-N 0 0 380.242 3.119 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000280201438 565658627 /nfs/dbraw/zinc/65/86/27/565658627.db2.gz VEZZAROUIDYQID-HNNXBMFYSA-N 0 0 392.249 3.252 20 10 GGCDRN CC[C@@H](C)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000175227355 565685973 /nfs/dbraw/zinc/68/59/73/565685973.db2.gz URIDBSMRXCCMMI-GFCCVEGCSA-N 0 0 382.507 3.373 20 10 GGCDRN CC[C@H](C)CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000175227371 565686160 /nfs/dbraw/zinc/68/61/60/565686160.db2.gz URIDBSMRXCCMMI-LBPRGKRZSA-N 0 0 382.507 3.373 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)C[C@H](C)O ZINC000175567078 565709331 /nfs/dbraw/zinc/70/93/31/565709331.db2.gz LLIUKXUPLZAETD-LBPRGKRZSA-N 0 0 387.318 3.483 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3ccncc3Br)cc2)CC1 ZINC000281226495 565718767 /nfs/dbraw/zinc/71/87/67/565718767.db2.gz OTYOOZHAQNBLCI-UHFFFAOYSA-N 0 0 389.297 3.125 20 10 GGCDRN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010704 565724349 /nfs/dbraw/zinc/72/43/49/565724349.db2.gz LVKZIUFXBUJCSL-IINYFYTJSA-N 0 0 383.279 3.197 20 10 GGCDRN CC(C)NC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000193017893 565725544 /nfs/dbraw/zinc/72/55/44/565725544.db2.gz HELWQYMHSFLCQM-GHXNOFRVSA-N 0 0 399.335 3.175 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c(C)n[nH]c1C ZINC000175850042 565727544 /nfs/dbraw/zinc/72/75/44/565727544.db2.gz SMDGHXBNMMAHJE-UHFFFAOYSA-N 0 0 380.286 3.476 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccoc1Br ZINC000193306806 565743781 /nfs/dbraw/zinc/74/37/81/565743781.db2.gz YWFDBUXSGLOARL-UHFFFAOYSA-N 0 0 379.254 3.151 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C(C)=O)cn1C ZINC000176205346 565756865 /nfs/dbraw/zinc/75/68/65/565756865.db2.gz OJKVGEQRDMMTAE-UHFFFAOYSA-N 0 0 379.254 3.358 20 10 GGCDRN O=C(Cc1ccc(Cl)s1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000283123570 565810033 /nfs/dbraw/zinc/81/00/33/565810033.db2.gz HQRDIVKLWSLLSK-UHFFFAOYSA-N 0 0 382.888 3.361 20 10 GGCDRN C[C@H](C[S@@](C)=O)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000283515196 565820550 /nfs/dbraw/zinc/82/05/50/565820550.db2.gz MSNUGRMCIDGQSC-FPIQFJIESA-N 0 0 385.961 3.143 20 10 GGCDRN COC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000206477427 565894906 /nfs/dbraw/zinc/89/49/06/565894906.db2.gz VBHQMKBCROMTBX-VQHVLOKHSA-N 0 0 390.280 3.197 20 10 GGCDRN CN(C)c1ccc(CNCc2ncc(I)s2)cc1F ZINC000285459185 565908854 /nfs/dbraw/zinc/90/88/54/565908854.db2.gz MYPULLSQYDTSCZ-UHFFFAOYSA-N 0 0 391.253 3.243 20 10 GGCDRN COc1ccc(NCc2c(O)cccc2Cl)cc1S(=O)(=O)NC1CC1 ZINC000285641653 565919799 /nfs/dbraw/zinc/91/97/99/565919799.db2.gz RUNDQGHPNDNJAS-UHFFFAOYSA-N 0 0 382.869 3.107 20 10 GGCDRN CC(C)(C)c1nsc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000285902819 565932552 /nfs/dbraw/zinc/93/25/52/565932552.db2.gz CRIREBRIXKVPKO-UHFFFAOYSA-N 0 0 380.857 3.163 20 10 GGCDRN CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(N)cc3)s2)CC1 ZINC000236647374 565941623 /nfs/dbraw/zinc/94/16/23/565941623.db2.gz MVTLSSGPULWQFQ-UHFFFAOYSA-N 0 0 379.507 3.003 20 10 GGCDRN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000237108502 565951626 /nfs/dbraw/zinc/95/16/26/565951626.db2.gz WKWHFRCXFNTHNF-UHFFFAOYSA-N 0 0 389.304 3.239 20 10 GGCDRN O=S(=O)(NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)c1cccs1 ZINC000179647966 565996025 /nfs/dbraw/zinc/99/60/25/565996025.db2.gz RSEXEEAYVNCXAR-UHFFFAOYSA-N 0 0 386.926 3.050 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@H](CO)C2)c(C)n1-c1ccccc1Br ZINC000179713613 566002467 /nfs/dbraw/zinc/00/24/67/566002467.db2.gz IHBZGLJTZOFICJ-CQSZACIVSA-N 0 0 377.282 3.311 20 10 GGCDRN CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287227437 566005971 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Cc1nc(C)c(-c2csc([N-]S(=O)(=O)c3cnn(C(C)C)c3)n2)s1 ZINC000266349101 566249110 /nfs/dbraw/zinc/24/91/10/566249110.db2.gz OVKKBCFWOGGZJC-UHFFFAOYSA-N 0 0 383.524 3.462 20 10 GGCDRN C[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)n1cc(Br)cn1 ZINC000648307905 566262028 /nfs/dbraw/zinc/26/20/28/566262028.db2.gz HRGAZQWFNWNZLE-LBPRGKRZSA-N 0 0 393.285 3.088 20 10 GGCDRN O=S(=O)(Nc1ccc(OC(F)F)cc1F)c1cccc2nsnc21 ZINC000579254139 566593992 /nfs/dbraw/zinc/59/39/92/566593992.db2.gz OKUWRVSPWUIQCM-UHFFFAOYSA-N 0 0 375.353 3.233 20 10 GGCDRN COc1cc(Cl)ccc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000608259109 566710050 /nfs/dbraw/zinc/71/00/50/566710050.db2.gz KTYFDAODBYRIMQ-UHFFFAOYSA-N 0 0 382.869 3.002 20 10 GGCDRN O=S(=O)(c1cccc2nsnc21)N1CCc2c1cccc2C(F)(F)F ZINC000546780069 567157457 /nfs/dbraw/zinc/15/74/57/567157457.db2.gz ZERTUXGDUYMART-UHFFFAOYSA-N 0 0 385.392 3.462 20 10 GGCDRN C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2cc(Cl)ccc2O1 ZINC000525187356 567233911 /nfs/dbraw/zinc/23/39/11/567233911.db2.gz 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CC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000062452373 1408259257 /nfs/dbraw/zinc/25/92/57/1408259257.db2.gz NKGPRZBFTMCDIK-INIZCTEOSA-N 0 0 396.491 3.389 20 10 GGCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1O ZINC000176403760 1428304100 /nfs/dbraw/zinc/30/41/00/1428304100.db2.gz YFSXDHJDUCUKEX-UHFFFAOYSA-N 0 0 396.365 3.151 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccccc1N1CCOCC1 ZINC000062562935 1408278556 /nfs/dbraw/zinc/27/85/56/1408278556.db2.gz PRQFUODXXQMSDL-UHFFFAOYSA-N 0 0 396.535 3.321 20 10 GGCDRN Cc1cc(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c(C)n1-c1ccccn1 ZINC000176407222 1428306201 /nfs/dbraw/zinc/30/62/01/1428306201.db2.gz MAOXBFOVAKJEEQ-LJQANCHMSA-N 0 0 383.492 3.289 20 10 GGCDRN CCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000063208110 1408316780 /nfs/dbraw/zinc/31/67/80/1408316780.db2.gz PSACIHPDWUQJFO-UHFFFAOYSA-N 0 0 396.365 3.407 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000176413335 1428309968 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Cc1cnc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000176548072 1428359651 /nfs/dbraw/zinc/35/96/51/1428359651.db2.gz WOKNZVAIJHNYTI-ZDUSSCGKSA-N 0 0 392.500 3.112 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)cc1F ZINC000066841052 1408925791 /nfs/dbraw/zinc/92/57/91/1408925791.db2.gz NQXDETVBKVAJOE-OAHLLOKOSA-N 0 0 392.500 3.149 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1F ZINC000066841694 1408926407 /nfs/dbraw/zinc/92/64/07/1408926407.db2.gz SAQJLXOAUKMBQE-UHFFFAOYSA-N 0 0 392.496 3.314 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(C[S@](C)=O)c2)cc1F ZINC000066841662 1408926651 /nfs/dbraw/zinc/92/66/51/1408926651.db2.gz GTGSECWAQTZNRR-AREMUKBSSA-N 0 0 376.497 3.480 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000066889423 1408942344 /nfs/dbraw/zinc/94/23/44/1408942344.db2.gz BLDVIGRSDFRPHM-UHFFFAOYSA-N 0 0 399.926 3.367 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NCc2cccc(C(=O)NC)c2)cc1F ZINC000066926951 1408953430 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CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1F ZINC000067000868 1408977021 /nfs/dbraw/zinc/97/70/21/1408977021.db2.gz NRXSJWHOSDXGNE-UHFFFAOYSA-N 0 0 385.439 3.129 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)cc1F ZINC000067000913 1408977352 /nfs/dbraw/zinc/97/73/52/1408977352.db2.gz PCZPMTPVLWBQCH-UHFFFAOYSA-N 0 0 397.372 3.344 20 10 GGCDRN CC(=O)N1CCC(NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000067003966 1408978050 /nfs/dbraw/zinc/97/80/50/1408978050.db2.gz JLOZDWUMRJPGLP-UHFFFAOYSA-N 0 0 386.540 3.266 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc2c(c1)OCCCO2 ZINC000067063454 1408997367 /nfs/dbraw/zinc/99/73/67/1408997367.db2.gz JZPGMMSVVUYIRU-UHFFFAOYSA-N 0 0 381.476 3.448 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NCc3ccc4c(c3)OCCCO4)ccc21 ZINC000067091198 1409007729 /nfs/dbraw/zinc/00/77/29/1409007729.db2.gz NXVGFLZNMWXCCC-UHFFFAOYSA-N 0 0 381.476 3.230 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000067179471 1409034279 /nfs/dbraw/zinc/03/42/79/1409034279.db2.gz DMDHJEURZCNFTD-INIZCTEOSA-N 0 0 388.489 3.174 20 10 GGCDRN COCCOc1ccc(F)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000067291600 1409065819 /nfs/dbraw/zinc/06/58/19/1409065819.db2.gz IUISOTPKTKCLFM-UHFFFAOYSA-N 0 0 379.407 3.378 20 10 GGCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cc(C(N)=O)c[nH]2)cc1 ZINC000176598647 1428375435 /nfs/dbraw/zinc/37/54/35/1428375435.db2.gz UVFKBBOAIMAZHK-UHFFFAOYSA-N 0 0 392.459 3.035 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1F ZINC000067412838 1409108044 /nfs/dbraw/zinc/10/80/44/1409108044.db2.gz PTWYNSKIKGWFPD-LJQANCHMSA-N 0 0 393.409 3.453 20 10 GGCDRN Cc1ccc(C(=O)N2CCC(NC(=O)N(C)Cc3ccccc3O)CC2)cc1 ZINC000067422370 1409113049 /nfs/dbraw/zinc/11/30/49/1409113049.db2.gz GYGLGJIETXBBJM-UHFFFAOYSA-N 0 0 381.476 3.147 20 10 GGCDRN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000067561002 1409163591 /nfs/dbraw/zinc/16/35/91/1409163591.db2.gz RPNIODPFCQVZKZ-UHFFFAOYSA-N 0 0 391.418 3.073 20 10 GGCDRN Cc1ccc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)c2n1 ZINC000067561015 1409163608 /nfs/dbraw/zinc/16/36/08/1409163608.db2.gz GCTPLXYPJUXGKV-UHFFFAOYSA-N 0 0 380.423 3.003 20 10 GGCDRN C[C@@H](c1cccc(O)c1)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000067628525 1409190289 /nfs/dbraw/zinc/19/02/89/1409190289.db2.gz WZFOFPVHGCLMCF-HNNXBMFYSA-N 0 0 387.455 3.271 20 10 GGCDRN CCOc1nn(CN2CCCN(c3ccc(OC)cc3)CC2)c(=S)s1 ZINC000067873514 1409247328 /nfs/dbraw/zinc/24/73/28/1409247328.db2.gz MLFWUAIZKGVEJZ-UHFFFAOYSA-N 0 0 380.539 3.251 20 10 GGCDRN Oc1cc2c(cc1CN1CCO[C@@H](c3ccc(Br)cc3)C1)OCO2 ZINC000067873743 1409247626 /nfs/dbraw/zinc/24/76/26/1409247626.db2.gz YMXVSHGPKPJDDF-GOSISDBHSA-N 0 0 392.249 3.457 20 10 GGCDRN Cc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000176647828 1428390360 /nfs/dbraw/zinc/39/03/60/1428390360.db2.gz PICKQNCVLFJMEJ-UHFFFAOYSA-N 0 0 397.884 3.443 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000067987724 1409270784 /nfs/dbraw/zinc/27/07/84/1409270784.db2.gz JPRHBYIPKXHXGO-UHFFFAOYSA-N 0 0 391.374 3.234 20 10 GGCDRN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000068243009 1409338310 /nfs/dbraw/zinc/33/83/10/1409338310.db2.gz JOUOCUCRUCABTL-FQEVSTJZSA-N 0 0 389.455 3.229 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)CCOc3ccc(C=O)cc3)CC2)cc1 ZINC000068333193 1409370035 /nfs/dbraw/zinc/37/00/35/1409370035.db2.gz BMKOWALWQCMVFM-UHFFFAOYSA-N 0 0 382.460 3.062 20 10 GGCDRN C[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccc(N2CCOCC2)cc1 ZINC000068462478 1409410262 /nfs/dbraw/zinc/41/02/62/1409410262.db2.gz NRTLCKUAUCEFNH-KRWDZBQOSA-N 0 0 398.528 3.491 20 10 GGCDRN C[C@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068462772 1409410415 /nfs/dbraw/zinc/41/04/15/1409410415.db2.gz SUSLGCYFATZQDD-KRWDZBQOSA-N 0 0 395.507 3.401 20 10 GGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1OC ZINC000068479432 1409412813 /nfs/dbraw/zinc/41/28/13/1409412813.db2.gz NMCRWASNPJXLHY-INIZCTEOSA-N 0 0 399.491 3.101 20 10 GGCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000068479421 1409412837 /nfs/dbraw/zinc/41/28/37/1409412837.db2.gz CXQWEBODSGXITC-MRXNPFEDSA-N 0 0 399.491 3.101 20 10 GGCDRN COCc1ccccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068479577 1409412865 /nfs/dbraw/zinc/41/28/65/1409412865.db2.gz RMMIZPVBBDOFFH-KRWDZBQOSA-N 0 0 383.492 3.230 20 10 GGCDRN C[C@H](NC(=O)NCCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068479126 1409412930 /nfs/dbraw/zinc/41/29/30/1409412930.db2.gz SAIFNIMNBRZFSV-SFHVURJKSA-N 0 0 382.508 3.020 20 10 GGCDRN COc1ccccc1CN(C)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068479737 1409412978 /nfs/dbraw/zinc/41/29/78/1409412978.db2.gz FZGBJPVBFYBXJW-QGZVFWFLSA-N 0 0 383.492 3.434 20 10 GGCDRN C[C@@H](NC(=O)NCCN(C)c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068479128 1409413008 /nfs/dbraw/zinc/41/30/08/1409413008.db2.gz SAIFNIMNBRZFSV-GOSISDBHSA-N 0 0 382.508 3.020 20 10 GGCDRN C[C@H](NC(=O)NCCOc1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000068479338 1409413032 /nfs/dbraw/zinc/41/30/32/1409413032.db2.gz FAZWYWSFJRBORY-INIZCTEOSA-N 0 0 387.455 3.102 20 10 GGCDRN CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480416 1409413511 /nfs/dbraw/zinc/41/35/11/1409413511.db2.gz QENWBASOHJIAMU-KRWDZBQOSA-N 0 0 398.507 3.266 20 10 GGCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)N(C)c1ccccc1 ZINC000068480227 1409413565 /nfs/dbraw/zinc/41/35/65/1409413565.db2.gz ZXJBHROLOZPXMN-OALUTQOASA-N 0 0 396.535 3.408 20 10 GGCDRN CC(C)Cc1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000068482278 1409414196 /nfs/dbraw/zinc/41/41/96/1409414196.db2.gz CGKDQHAJKDLWDT-CQSZACIVSA-N 0 0 389.525 3.456 20 10 GGCDRN CCCc1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000068482534 1409414269 /nfs/dbraw/zinc/41/42/69/1409414269.db2.gz FDEPROHGUQWUHU-CYBMUJFWSA-N 0 0 375.498 3.210 20 10 GGCDRN CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000068483706 1409414797 /nfs/dbraw/zinc/41/47/97/1409414797.db2.gz NFGBZDVSHRLMJN-INIZCTEOSA-N 0 0 396.491 3.074 20 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/nfs/dbraw/zinc/41/74/05/1409417405.db2.gz WNVHUMSMFAMOHT-GOSISDBHSA-N 0 0 396.487 3.186 20 10 GGCDRN COc1cccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1O ZINC000068489186 1409417460 /nfs/dbraw/zinc/41/74/60/1409417460.db2.gz OABJFFSXAPEAIA-UHFFFAOYSA-N 0 0 377.444 3.314 20 10 GGCDRN C[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068512767 1409422771 /nfs/dbraw/zinc/42/27/71/1409422771.db2.gz HPJBIJBSNCVBEU-QGZVFWFLSA-N 0 0 376.460 3.200 20 10 GGCDRN C[C@@H](NC(=O)c1cccnc1N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068513401 1409423347 /nfs/dbraw/zinc/42/33/47/1409423347.db2.gz YWHZWTMRIHVMMJ-GOSISDBHSA-N 0 0 394.519 3.400 20 10 GGCDRN Cc1ccnn1-c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000068536169 1409431106 /nfs/dbraw/zinc/43/11/06/1409431106.db2.gz XNEJKLUGSYVULV-UHFFFAOYSA-N 0 0 390.487 3.290 20 10 GGCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068548921 1409435423 /nfs/dbraw/zinc/43/54/23/1409435423.db2.gz BOLRIFBOMSXZSZ-SFHVURJKSA-N 0 0 396.535 3.492 20 10 GGCDRN CCCN(Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000068973536 1409536267 /nfs/dbraw/zinc/53/62/67/1409536267.db2.gz QDMYBBNIAGNYLC-UHFFFAOYSA-N 0 0 389.406 3.382 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(Cn2cccn2)cc1 ZINC000069186333 1409582970 /nfs/dbraw/zinc/58/29/70/1409582970.db2.gz MMBXWFBWLUQVTE-UHFFFAOYSA-N 0 0 391.475 3.090 20 10 GGCDRN CN1CCCc2cc(CNC(=O)Nc3ccccc3SCCC(N)=O)ccc21 ZINC000069338211 1409616973 /nfs/dbraw/zinc/61/69/73/1409616973.db2.gz IEUCFNPAWXMNDL-UHFFFAOYSA-N 0 0 398.532 3.358 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccccc2C#N)cc1 ZINC000069437045 1409634978 /nfs/dbraw/zinc/63/49/78/1409634978.db2.gz MJBFWCILGQSMKG-NRFANRHFSA-N 0 0 393.487 3.211 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NCc3cn4c(cccc4C)n3)CC2)cc1 ZINC000069432848 1409635019 /nfs/dbraw/zinc/63/50/19/1409635019.db2.gz YBUWJSJVRFFEEC-UHFFFAOYSA-N 0 0 393.491 3.120 20 10 GGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1F ZINC000069675928 1409673617 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C[C@@H](NC(=O)NCCc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1 ZINC000069932433 1409727506 /nfs/dbraw/zinc/72/75/06/1409727506.db2.gz FPHKCRUTTNCLQJ-OAHLLOKOSA-N 0 0 389.446 3.404 20 10 GGCDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000069950689 1409730371 /nfs/dbraw/zinc/73/03/71/1409730371.db2.gz HBSCLFCOYLYEQO-QHCPKHFHSA-N 0 0 391.515 3.221 20 10 GGCDRN COc1ccc(CNC(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000070757932 1409768368 /nfs/dbraw/zinc/76/83/68/1409768368.db2.gz AKRHHOCXQIPAOY-UHFFFAOYSA-N 0 0 381.520 3.434 20 10 GGCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)NC(=O)NCc1ccccc1 ZINC000070975472 1409808989 /nfs/dbraw/zinc/80/89/89/1409808989.db2.gz GVGQLSLRNKCUAK-UHFFFAOYSA-N 0 0 393.443 3.013 20 10 GGCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NCc1cccc(Cl)c1 ZINC000070976543 1409809427 /nfs/dbraw/zinc/80/94/27/1409809427.db2.gz DFTSFLDOLWSWGT-IBGZPJMESA-N 0 0 388.895 3.343 20 10 GGCDRN COc1ccccc1[C@@H](C)NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976766 1409809444 /nfs/dbraw/zinc/80/94/44/1409809444.db2.gz KFDSETBXHRPLEP-MJGOQNOKSA-N 0 0 398.503 3.259 20 10 GGCDRN COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976764 1409809573 /nfs/dbraw/zinc/80/95/73/1409809573.db2.gz KFDSETBXHRPLEP-HKUYNNGSSA-N 0 0 398.503 3.259 20 10 GGCDRN CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000071068333 1409819273 /nfs/dbraw/zinc/81/92/73/1409819273.db2.gz APVAVQYQHOIUGC-UHFFFAOYSA-N 0 0 385.439 3.080 20 10 GGCDRN Cc1cc(C(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)c(C)n1-c1ccccc1C ZINC000071923793 1409830487 /nfs/dbraw/zinc/83/04/87/1409830487.db2.gz PVMCTATWMGMBHT-UHFFFAOYSA-N 0 0 395.459 3.032 20 10 GGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(O)c1 ZINC000071933381 1409831334 /nfs/dbraw/zinc/83/13/34/1409831334.db2.gz MDHBGXSOWZQYMD-UHFFFAOYSA-N 0 0 394.393 3.486 20 10 GGCDRN CN(c1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1)C1CCCCC1 ZINC000072043683 1409840598 /nfs/dbraw/zinc/84/05/98/1409840598.db2.gz QUIPSZNFPSFKEW-UHFFFAOYSA-N 0 0 390.491 3.361 20 10 GGCDRN Cc1ccnc2nc(C(=O)NCc3ccc(N(C)C4CCCCC4)cc3)nn21 ZINC000072043660 1409840651 /nfs/dbraw/zinc/84/06/51/1409840651.db2.gz UHTQIQORJPGZLS-UHFFFAOYSA-N 0 0 378.480 3.132 20 10 GGCDRN CC(C)C[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000073043917 1409857254 /nfs/dbraw/zinc/85/72/54/1409857254.db2.gz SVUQFOQUXDXFLB-YLJYHZDGSA-N 0 0 375.513 3.041 20 10 GGCDRN CC(C)C1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000073773086 1409865638 /nfs/dbraw/zinc/86/56/38/1409865638.db2.gz CTRTWPZINHGEJA-UHFFFAOYSA-N 0 0 377.504 3.364 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NC[C@H](CCO)CC(C)C)CC2)cc1 ZINC000074060664 1409868644 /nfs/dbraw/zinc/86/86/44/1409868644.db2.gz YKNKMXSRMMESJX-QGZVFWFLSA-N 0 0 377.529 3.008 20 10 GGCDRN CCO[C@@H](CCNC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000074854919 1409877484 /nfs/dbraw/zinc/87/74/84/1409877484.db2.gz DEVYSQGXWXNRCH-IBGZPJMESA-N 0 0 379.570 3.490 20 10 GGCDRN CCSCC[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000076788463 1409892056 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COc1ccc(N2CCN(C(=O)NCCCOC3CCCC3)CC2)cc1F ZINC000084878217 1410038517 /nfs/dbraw/zinc/03/85/17/1410038517.db2.gz MYGOLBGHJUMBOD-UHFFFAOYSA-N 0 0 379.476 3.015 20 10 GGCDRN CC(C)C[C@@H](C)OCCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000087413841 1410048013 /nfs/dbraw/zinc/04/80/13/1410048013.db2.gz OMQDVMRUFSFPIZ-MRXNPFEDSA-N 0 0 380.504 3.244 20 10 GGCDRN COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000176762667 1428452390 /nfs/dbraw/zinc/45/23/90/1428452390.db2.gz JFBAWCPJYYHHIC-UHFFFAOYSA-N 0 0 393.827 3.389 20 10 GGCDRN C[C@@H](c1ccccn1)N(C)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000091702210 1410076410 /nfs/dbraw/zinc/07/64/10/1410076410.db2.gz WOKBQDBKJSHFET-HNNXBMFYSA-N 0 0 399.450 3.489 20 10 GGCDRN Cc1cccc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C ZINC000091735929 1410079346 /nfs/dbraw/zinc/07/93/46/1410079346.db2.gz PQBDWUGFDYMRNQ-GOSISDBHSA-N 0 0 388.489 3.358 20 10 GGCDRN COC(=O)c1cccc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000092032752 1410099334 /nfs/dbraw/zinc/09/93/34/1410099334.db2.gz JJSVCHHCFUBVAE-UHFFFAOYSA-N 0 0 377.444 3.248 20 10 GGCDRN CCOc1cccc(CN2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1O ZINC000092106015 1410109554 /nfs/dbraw/zinc/10/95/54/1410109554.db2.gz JYSXBWWXKOBBBE-UHFFFAOYSA-N 0 0 384.476 3.066 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NCC(C)(C)c3ccncc3)CC2)cc1F ZINC000092362861 1410144504 /nfs/dbraw/zinc/14/45/04/1410144504.db2.gz LLFPDWFLCQTERN-UHFFFAOYSA-N 0 0 386.471 3.039 20 10 GGCDRN C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000092665481 1410186365 /nfs/dbraw/zinc/18/63/65/1410186365.db2.gz GBAUUVJOFDBTDM-HOTGVXAUSA-N 0 0 396.373 3.145 20 10 GGCDRN C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000092665482 1410186665 /nfs/dbraw/zinc/18/66/65/1410186665.db2.gz GBAUUVJOFDBTDM-HZPDHXFCSA-N 0 0 396.373 3.145 20 10 GGCDRN CCOc1cccc(CN2CCN(C(=O)CCCc3ccccc3)CC2)c1O ZINC000092755235 1410197134 /nfs/dbraw/zinc/19/71/34/1410197134.db2.gz VSGFSMFQNZSJDS-UHFFFAOYSA-N 0 0 382.504 3.458 20 10 GGCDRN CN(CC(=O)Nc1ccc(Br)cn1)Cc1cc(Cl)ccc1O ZINC000093004915 1410214044 /nfs/dbraw/zinc/21/40/44/1410214044.db2.gz VTBHFMNBFOVASB-UHFFFAOYSA-N 0 0 384.661 3.274 20 10 GGCDRN CCOc1cccc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)c1O ZINC000093006546 1410214083 /nfs/dbraw/zinc/21/40/83/1410214083.db2.gz VQVDTZCKIKORKF-UHFFFAOYSA-N 0 0 376.403 3.027 20 10 GGCDRN Cc1cc(O)c(CN(C)CC(=O)Nc2ccc(Br)cn2)cc1C ZINC000093004900 1410214512 /nfs/dbraw/zinc/21/45/12/1410214512.db2.gz CAFOJEFIRXJNDP-UHFFFAOYSA-N 0 0 378.270 3.237 20 10 GGCDRN CCOc1cccc(CN(C)CC(=O)Nc2ccc(Br)cn2)c1O ZINC000093004913 1410214584 /nfs/dbraw/zinc/21/45/84/1410214584.db2.gz YCKKJLDBJHEZLQ-UHFFFAOYSA-N 0 0 394.269 3.019 20 10 GGCDRN COC(=O)CN(Cc1ccc(N2CCCC2)nc1)Cc1cc(Cl)ccc1O ZINC000093277096 1410228907 /nfs/dbraw/zinc/22/89/07/1410228907.db2.gz GJUGIPLBLUFZOX-UHFFFAOYSA-N 0 0 389.883 3.216 20 10 GGCDRN O=C1CCCCN1CC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093532090 1410250120 /nfs/dbraw/zinc/25/01/20/1410250120.db2.gz FQSUTEYRDBUMQR-UHFFFAOYSA-N 0 0 381.860 3.178 20 10 GGCDRN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)nc1 ZINC000093534485 1410251024 /nfs/dbraw/zinc/25/10/24/1410251024.db2.gz NCXKHIIVCLUICB-LBPRGKRZSA-N 0 0 393.241 3.144 20 10 GGCDRN O=C1CN(Cc2ccc(N3CCOCC3)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000093535239 1410251761 /nfs/dbraw/zinc/25/17/61/1410251761.db2.gz XRCUIXZOPJZHHW-UHFFFAOYSA-N 0 0 399.922 3.021 20 10 GGCDRN C[C@@H](NC(=O)NCC(C)(C)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000093545855 1410252534 /nfs/dbraw/zinc/25/25/34/1410252534.db2.gz RXEGYCOQTJVEBY-QGZVFWFLSA-N 0 0 382.508 3.256 20 10 GGCDRN Cc1nsc(N2CCC[N@H+](Cc3cccc(Br)c3[O-])CC2)n1 ZINC000093716963 1410261622 /nfs/dbraw/zinc/26/16/22/1410261622.db2.gz MAHOTMASXNAZBT-UHFFFAOYSA-N 0 0 383.315 3.027 20 10 GGCDRN CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000093871511 1410277981 /nfs/dbraw/zinc/27/79/81/1410277981.db2.gz PUDYTQLHJLYLLR-UHFFFAOYSA-N 0 0 397.888 3.080 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000093908026 1410282660 /nfs/dbraw/zinc/28/26/60/1410282660.db2.gz RAODXEGNUUCKAH-UHFFFAOYSA-N 0 0 396.468 3.283 20 10 GGCDRN CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1 ZINC000093910179 1410283636 /nfs/dbraw/zinc/28/36/36/1410283636.db2.gz YZINYKAHZILHCM-HNNXBMFYSA-N 0 0 382.869 3.298 20 10 GGCDRN Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1Br ZINC000093917504 1410284329 /nfs/dbraw/zinc/28/43/29/1410284329.db2.gz AMXHZBIAAWRMLM-UHFFFAOYSA-N 0 0 399.266 3.087 20 10 GGCDRN CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(Cl)c1 ZINC000093929241 1410286296 /nfs/dbraw/zinc/28/62/96/1410286296.db2.gz IFXVEZBJVWXNMY-OAHLLOKOSA-N 0 0 382.869 3.298 20 10 GGCDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093929434 1410286512 /nfs/dbraw/zinc/28/65/12/1410286512.db2.gz AMKKNZZQNMXJDQ-LLVKDONJSA-N 0 0 382.869 3.250 20 10 GGCDRN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093929847 1410287190 /nfs/dbraw/zinc/28/71/90/1410287190.db2.gz MGTNGHWGRUHSHD-NSHDSACASA-N 0 0 382.869 3.250 20 10 GGCDRN CC(C)(C)[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000094019135 1410294268 /nfs/dbraw/zinc/29/42/68/1410294268.db2.gz KYWYXPOMVFUQOE-QGZVFWFLSA-N 0 0 376.478 3.281 20 10 GGCDRN COc1cc(F)cc(CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000094058914 1410299389 /nfs/dbraw/zinc/29/93/89/1410299389.db2.gz GXFIPGBHVOOFCE-UHFFFAOYSA-N 0 0 391.418 3.014 20 10 GGCDRN CCCn1ccc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc21 ZINC000094074586 1410301584 /nfs/dbraw/zinc/30/15/84/1410301584.db2.gz CVVBGMBLENBIPL-UHFFFAOYSA-N 0 0 387.461 3.381 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000094120544 1410304658 /nfs/dbraw/zinc/30/46/58/1410304658.db2.gz IOYBOOFWCDPYEX-GOSISDBHSA-N 0 0 392.452 3.174 20 10 GGCDRN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094120756 1410305040 /nfs/dbraw/zinc/30/50/40/1410305040.db2.gz KZACNKYZNMOOST-CQSZACIVSA-N 0 0 376.478 3.205 20 10 GGCDRN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094125432 1410306669 /nfs/dbraw/zinc/30/66/69/1410306669.db2.gz VWGFAHPCJMUQBH-AWEZNQCLSA-N 0 0 388.489 3.205 20 10 GGCDRN COc1ccc([C@@H](CO)N(C)C(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000095465496 1410312468 /nfs/dbraw/zinc/31/24/68/1410312468.db2.gz XTTQHHRGIXJYJJ-HXUWFJFHSA-N 0 0 379.460 3.303 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)cc1 ZINC000176811303 1428475317 /nfs/dbraw/zinc/47/53/17/1428475317.db2.gz BZMSBORLYQPHQH-UHFFFAOYSA-N 0 0 381.810 3.281 20 10 GGCDRN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN(Cc1ccco1)Cc1ccccc1O ZINC000096970875 1410341772 /nfs/dbraw/zinc/34/17/72/1410341772.db2.gz WZMBIVBAXSAKMP-VQIMIIECSA-N 0 0 399.491 3.392 20 10 GGCDRN COCCCNC(=O)CN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000096981967 1410342433 /nfs/dbraw/zinc/34/24/33/1410342433.db2.gz XZYBHJAQJVEUTC-WEVVVXLNSA-N 0 0 396.487 3.130 20 10 GGCDRN CC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000097173871 1410356597 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O=C(COc1ccc2c(c1)CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000098076294 1410407618 /nfs/dbraw/zinc/40/76/18/1410407618.db2.gz BPLRXUITFHBYAK-NRFANRHFSA-N 0 0 381.472 3.468 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000098093848 1410410900 /nfs/dbraw/zinc/41/09/00/1410410900.db2.gz MBWORXSSJRDJDD-UHFFFAOYSA-N 0 0 393.409 3.239 20 10 GGCDRN Cc1cccc(OCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000098093716 1410410943 /nfs/dbraw/zinc/41/09/43/1410410943.db2.gz HEGRJRGLZGVMCE-UHFFFAOYSA-N 0 0 382.504 3.289 20 10 GGCDRN O=C(Cn1ccc2ccccc21)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093683 1410411264 /nfs/dbraw/zinc/41/12/64/1410411264.db2.gz GMMDJXQFSHZLDW-UHFFFAOYSA-N 0 0 377.488 3.166 20 10 GGCDRN O=C(Cc1c[nH]c2ccccc12)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093655 1410411286 /nfs/dbraw/zinc/41/12/86/1410411286.db2.gz YCKYJJQVCZFXDL-UHFFFAOYSA-N 0 0 377.488 3.236 20 10 GGCDRN Cc1ccc(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1C ZINC000098093699 1410411353 /nfs/dbraw/zinc/41/13/53/1410411353.db2.gz MLTCMESCYZRNRR-UHFFFAOYSA-N 0 0 382.504 3.207 20 10 GGCDRN O=C(COc1ccc2c(c1)CCC2)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093830 1410411516 /nfs/dbraw/zinc/41/15/16/1410411516.db2.gz XMOXTUMGWHZNIQ-UHFFFAOYSA-N 0 0 394.515 3.079 20 10 GGCDRN CCc1ccccc1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093713 1410411727 /nfs/dbraw/zinc/41/17/27/1410411727.db2.gz WOUYGFUFODXNNR-UHFFFAOYSA-N 0 0 382.504 3.153 20 10 GGCDRN O=C(CCOc1ccccc1F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093700 1410411809 /nfs/dbraw/zinc/41/18/09/1410411809.db2.gz RKPVHIGTXPBNAN-UHFFFAOYSA-N 0 0 386.467 3.120 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1=NO[C@@H](c2ccccc2)C1 ZINC000098094022 1410412344 /nfs/dbraw/zinc/41/23/44/1410412344.db2.gz HWWGSZVXAUQJLX-JOCHJYFZSA-N 0 0 393.487 3.029 20 10 GGCDRN COc1cc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1C ZINC000098093910 1410412375 /nfs/dbraw/zinc/41/23/75/1410412375.db2.gz DKENXXPBPLFTKZ-UHFFFAOYSA-N 0 0 382.504 3.071 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 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CSCC[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1nnc2ccccn21 ZINC000119968539 1413636280 /nfs/dbraw/zinc/63/62/80/1413636280.db2.gz FDOSBXKYSZJQMC-INIZCTEOSA-N 0 0 388.468 3.361 20 10 GGCDRN COc1ccc(-n2ccnc2SCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000119981677 1413640959 /nfs/dbraw/zinc/64/09/59/1413640959.db2.gz CLTKJGJBPOYOHE-UHFFFAOYSA-N 0 0 383.473 3.337 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NC[C@@H](C)c3c(C)noc3C)CC2)cc1F ZINC000120015670 1413654107 /nfs/dbraw/zinc/65/41/07/1413654107.db2.gz YBLXMQFPEKYCFZ-CYBMUJFWSA-N 0 0 390.459 3.074 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@H]2CSCCS2)cc1 ZINC000120015444 1413654438 /nfs/dbraw/zinc/65/44/38/1413654438.db2.gz PWBDTFLXRBSEDK-OALUTQOASA-N 0 0 394.606 3.499 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)C[C@@H]3CCN(C(C)=O)C3)c2C)cc1 ZINC000120030398 1413660249 /nfs/dbraw/zinc/66/02/49/1413660249.db2.gz GPHMBABNOYZNEA-SFHVURJKSA-N 0 0 383.492 3.043 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3cccc(Br)n3)CC2)cc1 ZINC000120040308 1413664812 /nfs/dbraw/zinc/66/48/12/1413664812.db2.gz JFPPJLRMPMWTFA-UHFFFAOYSA-N 0 0 390.281 3.252 20 10 GGCDRN COc1ccc(N(Cc2cccs2)C[C@H](O)COC2CCOCC2)cc1 ZINC000120078621 1413679014 /nfs/dbraw/zinc/67/90/14/1413679014.db2.gz BGALGFFTNNLPKN-KRWDZBQOSA-N 0 0 377.506 3.320 20 10 GGCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2ccccc2=O)cc1 ZINC000120171257 1413716826 /nfs/dbraw/zinc/71/68/26/1413716826.db2.gz YRZAZLKHVGIMJE-UHFFFAOYSA-N 0 0 391.471 3.156 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000120190938 1413724318 /nfs/dbraw/zinc/72/43/18/1413724318.db2.gz HJJSWBISRPVPQA-RTWAWAEBSA-N 0 0 387.524 3.012 20 10 GGCDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000120228438 1413740440 /nfs/dbraw/zinc/74/04/40/1413740440.db2.gz FKEBDXXUMXRMEM-ZDUSSCGKSA-N 0 0 376.453 3.250 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000120232421 1413743346 /nfs/dbraw/zinc/74/33/46/1413743346.db2.gz VYQIIOYZFPDPRU-INIZCTEOSA-N 0 0 385.439 3.434 20 10 GGCDRN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000120249462 1413751773 /nfs/dbraw/zinc/75/17/73/1413751773.db2.gz OUHBPQGNUXBYCV-GOSISDBHSA-N 0 0 387.455 3.158 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[S@](=O)C(C)(C)C ZINC000120282746 1413766606 /nfs/dbraw/zinc/76/66/06/1413766606.db2.gz CSSUBRBRFCEFEG-AREMUKBSSA-N 0 0 379.570 3.366 20 10 GGCDRN COc1ccc(C(=O)Nc2cccc(N3CCC(C)CC3)c2)cc1-n1cnnn1 ZINC000120283648 1413766752 /nfs/dbraw/zinc/76/67/52/1413766752.db2.gz UQKRFBIBQZPOPM-UHFFFAOYSA-N 0 0 392.463 3.160 20 10 GGCDRN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000120291441 1413770178 /nfs/dbraw/zinc/77/01/78/1413770178.db2.gz HKKFXBHDEOOMPA-OXJNMPFZSA-N 0 0 380.488 3.350 20 10 GGCDRN Cc1cnc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)s1 ZINC000120343462 1413795999 /nfs/dbraw/zinc/79/59/99/1413795999.db2.gz DEPQUKXFTLQNCX-UHFFFAOYSA-N 0 0 393.380 3.387 20 10 GGCDRN COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1O ZINC000120347713 1413798071 /nfs/dbraw/zinc/79/80/71/1413798071.db2.gz HTGWYNMVBCIASM-GOSISDBHSA-N 0 0 384.476 3.288 20 10 GGCDRN COc1ccc(O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1 ZINC000120348615 1413798123 /nfs/dbraw/zinc/79/81/23/1413798123.db2.gz JJGJTGMOSPGOFE-LJQANCHMSA-N 0 0 384.476 3.288 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@H]2CSCCS2)cc1 ZINC000120349131 1413798924 /nfs/dbraw/zinc/79/89/24/1413798924.db2.gz FJIHQQZJDJHWIA-QZTJIDSGSA-N 0 0 380.579 3.109 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCc2cnn(Cc3ccccc3)c2)cc1F ZINC000120363143 1413802528 /nfs/dbraw/zinc/80/25/28/1413802528.db2.gz LGDWHDBORSMPGI-UHFFFAOYSA-N 0 0 381.455 3.136 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[C@H](c2ccccc2)C1 ZINC000120370389 1413804150 /nfs/dbraw/zinc/80/41/50/1413804150.db2.gz PUMTYQJRWGOROW-IBGZPJMESA-N 0 0 383.467 3.361 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1OCC(F)F ZINC000120383371 1413806453 /nfs/dbraw/zinc/80/64/53/1413806453.db2.gz KMLPHQWSXHHNSB-UHFFFAOYSA-N 0 0 391.418 3.489 20 10 GGCDRN CN(C)c1ccc(CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1F ZINC000120416063 1413813186 /nfs/dbraw/zinc/81/31/86/1413813186.db2.gz RBWIWIPXHFNCSL-UHFFFAOYSA-N 0 0 387.474 3.308 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000120473149 1413825591 /nfs/dbraw/zinc/82/55/91/1413825591.db2.gz WPPNRSNUQAPAKX-UHFFFAOYSA-N 0 0 375.856 3.177 20 10 GGCDRN O=C(NCCc1ccccc1F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000120502196 1413831918 /nfs/dbraw/zinc/83/19/18/1413831918.db2.gz SMKYVGZGOULCTF-UHFFFAOYSA-N 0 0 385.483 3.076 20 10 GGCDRN O=C(NCCSc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000120593920 1413850863 /nfs/dbraw/zinc/85/08/63/1413850863.db2.gz QNTCTGBCHYSTRA-UHFFFAOYSA-N 0 0 399.560 3.487 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000120654154 1413866830 /nfs/dbraw/zinc/86/68/30/1413866830.db2.gz MFNIYFMQDIJYJJ-UHFFFAOYSA-N 0 0 397.338 3.443 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000120682247 1413874010 /nfs/dbraw/zinc/87/40/10/1413874010.db2.gz WDTFMBCXHMOOJF-UHFFFAOYSA-N 0 0 393.802 3.154 20 10 GGCDRN C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000120785363 1413902266 /nfs/dbraw/zinc/90/22/66/1413902266.db2.gz JISTUQXHLCZQLG-FGSXEWAUSA-N 0 0 397.519 3.396 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)Cc1ccccc1 ZINC000120785041 1413902282 /nfs/dbraw/zinc/90/22/82/1413902282.db2.gz PICWLSXKVZPDFV-LAUBAEHRSA-N 0 0 399.560 3.031 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)Cc1ccccc1 ZINC000120785532 1413902367 /nfs/dbraw/zinc/90/23/67/1413902367.db2.gz PICWLSXKVZPDFV-UTKZUKDTSA-N 0 0 399.560 3.031 20 10 GGCDRN O=C(Nc1cccc2[nH]ccc21)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120888861 1413938533 /nfs/dbraw/zinc/93/85/33/1413938533.db2.gz KZYBLULEICXLMQ-MRXNPFEDSA-N 0 0 393.443 3.020 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cnc([C@H]4CCCO4)s3)CC2)cc1F ZINC000120963420 1413961091 /nfs/dbraw/zinc/96/10/91/1413961091.db2.gz JPEJTJRLFONPQK-MRXNPFEDSA-N 0 0 391.468 3.105 20 10 GGCDRN CC(C)c1ncc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000120983052 1413967906 /nfs/dbraw/zinc/96/79/06/1413967906.db2.gz SHTBLJLQEHPIFI-UHFFFAOYSA-N 0 0 392.862 3.159 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccccc1C=O ZINC000121002970 1413974258 /nfs/dbraw/zinc/97/42/58/1413974258.db2.gz IAMODUOEEWEHPG-UHFFFAOYSA-N 0 0 392.249 3.395 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COc1ccc(C=O)cc1 ZINC000121003117 1413974301 /nfs/dbraw/zinc/97/43/01/1413974301.db2.gz PHELDSGBAPAIFB-UHFFFAOYSA-N 0 0 392.249 3.395 20 10 GGCDRN COc1cc(OC)c(CN(C)Cc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000121316246 1414081414 /nfs/dbraw/zinc/08/14/14/1414081414.db2.gz AADJMVNRSCLKGJ-UHFFFAOYSA-N 0 0 386.492 3.181 20 10 GGCDRN CN(Cc1cc(Br)cs1)C(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121350061 1414091303 /nfs/dbraw/zinc/09/13/03/1414091303.db2.gz NWVDSVQRLPBDOI-UHFFFAOYSA-N 0 0 397.294 3.334 20 10 GGCDRN COc1ccc2c(c1)C[C@H](C(=O)NCc1ccc(N3CCSCC3)cc1)CO2 ZINC000121365568 1414096294 /nfs/dbraw/zinc/09/62/94/1414096294.db2.gz QZSDHHHYHCQFDV-SFHVURJKSA-N 0 0 398.528 3.116 20 10 GGCDRN Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000121369588 1414097470 /nfs/dbraw/zinc/09/74/70/1414097470.db2.gz DVXXCANGTLMIML-UHFFFAOYSA-N 0 0 395.532 3.138 20 10 GGCDRN Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC000121540618 1414168558 /nfs/dbraw/zinc/16/85/58/1414168558.db2.gz VPPRSUZZDSONSE-UHFFFAOYSA-N 0 0 386.517 3.019 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000121545960 1414172040 /nfs/dbraw/zinc/17/20/40/1414172040.db2.gz BVALHNHGKITHJW-UHFFFAOYSA-N 0 0 394.475 3.174 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)cc(F)cc1F ZINC000121640203 1414209312 /nfs/dbraw/zinc/20/93/12/1414209312.db2.gz NMXITQABBZAGCG-UHFFFAOYSA-N 0 0 378.394 3.243 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000121711590 1414232377 /nfs/dbraw/zinc/23/23/77/1414232377.db2.gz BGURAFRXKFXMBC-UHFFFAOYSA-N 0 0 376.840 3.201 20 10 GGCDRN COc1ccc(N(C)CC(=O)NCCc2ccc(OC(F)F)cc2)cc1F ZINC000121746917 1414243879 /nfs/dbraw/zinc/24/38/79/1414243879.db2.gz WKPHDXYFQRTIPU-UHFFFAOYSA-N 0 0 382.382 3.231 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000121757838 1414248047 /nfs/dbraw/zinc/24/80/47/1414248047.db2.gz SPELUQBLENCSRL-UHFFFAOYSA-N 0 0 381.432 3.428 20 10 GGCDRN COc1ccc(N(C)CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1F ZINC000121794284 1414259336 /nfs/dbraw/zinc/25/93/36/1414259336.db2.gz MKFMQPJDSGKMIO-UHFFFAOYSA-N 0 0 399.466 3.148 20 10 GGCDRN CCNC(=O)NC1CCC(OC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000121810942 1414264859 /nfs/dbraw/zinc/26/48/59/1414264859.db2.gz MUTIGEUGTJKJOS-UHFFFAOYSA-N 0 0 384.480 3.276 20 10 GGCDRN COc1ccc(N(C)CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)cc1F ZINC000121814786 1414266350 /nfs/dbraw/zinc/26/63/50/1414266350.db2.gz KKBKZTNQPXDOGT-AWEZNQCLSA-N 0 0 390.455 3.474 20 10 GGCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1Cl ZINC000121845760 1414277013 /nfs/dbraw/zinc/27/70/13/1414277013.db2.gz AINZHHPCNFSWAJ-UHFFFAOYSA-N 0 0 387.867 3.316 20 10 GGCDRN COc1ccc(N(C)CC(=O)NC[C@H]2CCN(c3ccccc3)C2)cc1Cl ZINC000121851911 1414278925 /nfs/dbraw/zinc/27/89/25/1414278925.db2.gz VYMBWMBGTXLDRO-MRXNPFEDSA-N 0 0 387.911 3.428 20 10 GGCDRN COc1ccc(N(C)CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Cl ZINC000121857127 1414280351 /nfs/dbraw/zinc/28/03/51/1414280351.db2.gz GPHHKZXMICRXGO-UHFFFAOYSA-N 0 0 375.856 3.125 20 10 GGCDRN COc1ccc(N(C)CC(=O)N(C)Cc2cccc(OC)c2OC)cc1Cl ZINC000121878006 1414288408 /nfs/dbraw/zinc/28/84/08/1414288408.db2.gz CFRBFIGPSRPACH-UHFFFAOYSA-N 0 0 392.883 3.461 20 10 GGCDRN COc1ccc(N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl ZINC000121902410 1414299779 /nfs/dbraw/zinc/29/97/79/1414299779.db2.gz DLCYGMZUNZYZKK-UHFFFAOYSA-N 0 0 392.883 3.161 20 10 GGCDRN C[C@@H]1CN(c2ccc(C(=O)NCc3ccc4c(c3)CCCN4C)cn2)C[C@@H](C)O1 ZINC000121917408 1414307059 /nfs/dbraw/zinc/30/70/59/1414307059.db2.gz HPNWWGPVKURFJP-IAGOWNOFSA-N 0 0 394.519 3.008 20 10 GGCDRN COCCOc1ccc(CNC(=O)CN(C)c2ccc(OC)c(Cl)c2)cc1 ZINC000121960454 1414323782 /nfs/dbraw/zinc/32/37/82/1414323782.db2.gz CSDBDOISVSUZBL-UHFFFAOYSA-N 0 0 392.883 3.126 20 10 GGCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)cc1 ZINC000121968720 1414326806 /nfs/dbraw/zinc/32/68/06/1414326806.db2.gz DMZODXGYCVZKEH-GOSISDBHSA-N 0 0 387.524 3.406 20 10 GGCDRN COc1ccc2c(CN3CCN(c4ccc(OC)c(F)c4)CC3)cc(=O)oc2c1 ZINC000121977252 1414329589 /nfs/dbraw/zinc/32/95/89/1414329589.db2.gz ZMGHWBKYOZQPKQ-UHFFFAOYSA-N 0 0 398.434 3.272 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)c3nc(-c4cccnc4)no3)CC2)cc1F ZINC000121982057 1414331200 /nfs/dbraw/zinc/33/12/00/1414331200.db2.gz JOLWMDPOKWMCHV-AWEZNQCLSA-N 0 0 383.427 3.163 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(Cl)cn3)CC2)cc1F ZINC000122004357 1414338058 /nfs/dbraw/zinc/33/80/58/1414338058.db2.gz BYIHYEXGOPNZQZ-CYBMUJFWSA-N 0 0 392.862 3.032 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3cccnc3Cl)CC2)cc1F ZINC000122006468 1414338444 /nfs/dbraw/zinc/33/84/44/1414338444.db2.gz PUORKOFNFJWLMU-CYBMUJFWSA-N 0 0 392.862 3.032 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)cc1F ZINC000122008839 1414338892 /nfs/dbraw/zinc/33/88/92/1414338892.db2.gz VIZUEWNLFBTGHN-OAHLLOKOSA-N 0 0 389.446 3.431 20 10 GGCDRN CCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122008077 1414339331 /nfs/dbraw/zinc/33/93/31/1414339331.db2.gz MXUQUYIWPVADBL-UHFFFAOYSA-N 0 0 383.517 3.057 20 10 GGCDRN Cc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1F ZINC000122013169 1414339554 /nfs/dbraw/zinc/33/95/54/1414339554.db2.gz BCNSAWJXYYBAIG-AWEZNQCLSA-N 0 0 396.459 3.149 20 10 GGCDRN CCC[C@](C)(CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000122026828 1414343402 /nfs/dbraw/zinc/34/34/02/1414343402.db2.gz JABXHPRISGZQRN-LJQANCHMSA-N 0 0 385.455 3.107 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cc1F ZINC000122040191 1414346331 /nfs/dbraw/zinc/34/63/31/1414346331.db2.gz QRUSGXPZMHKUHY-OAHLLOKOSA-N 0 0 399.466 3.186 20 10 GGCDRN CCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122054406 1414350710 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ZINC000124481794 1414978220 /nfs/dbraw/zinc/97/82/20/1414978220.db2.gz LAYWXKLUMUFOEP-UHFFFAOYSA-N 0 0 382.508 3.305 20 10 GGCDRN CCNC(=O)N1CCc2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cc21 ZINC000124484178 1414978923 /nfs/dbraw/zinc/97/89/23/1414978923.db2.gz OPAJWTYUCXHFDQ-UHFFFAOYSA-N 0 0 381.480 3.166 20 10 GGCDRN CS(=O)(=O)c1ccccc1-n1cc(NCc2c(O)cccc2Cl)cn1 ZINC000124493773 1414981465 /nfs/dbraw/zinc/98/14/65/1414981465.db2.gz HANQRSKINWICMD-UHFFFAOYSA-N 0 0 377.853 3.247 20 10 GGCDRN CCN(C)C(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000124637096 1415010402 /nfs/dbraw/zinc/01/04/02/1415010402.db2.gz PCRFVTXYVCRWTF-WQLSENKSSA-N 0 0 399.335 3.129 20 10 GGCDRN Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124658296 1415015233 /nfs/dbraw/zinc/01/52/33/1415015233.db2.gz JLDMUDRNDRQLPH-GJZGRUSLSA-N 0 0 386.496 3.119 20 10 GGCDRN C[C@@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1Cl ZINC000124703006 1415025144 /nfs/dbraw/zinc/02/51/44/1415025144.db2.gz KQWJKCLYYIBLKO-OAQYLSRUSA-N 0 0 385.895 3.423 20 10 GGCDRN CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124735424 1415032295 /nfs/dbraw/zinc/03/22/95/1415032295.db2.gz DPVDMJBXGFYKAR-RKOGDMNLSA-N 0 0 386.517 3.142 20 10 GGCDRN CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124735229 1415032527 /nfs/dbraw/zinc/03/25/27/1415032527.db2.gz DPVDMJBXGFYKAR-OQRWROFFSA-N 0 0 386.517 3.142 20 10 GGCDRN Cc1cccc2c1CCN2C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000124863035 1415061505 /nfs/dbraw/zinc/06/15/05/1415061505.db2.gz BJQVXKSQUWXQJV-UHFFFAOYSA-N 0 0 383.467 3.368 20 10 GGCDRN C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000124862159 1415061824 /nfs/dbraw/zinc/06/18/24/1415061824.db2.gz XYTLJPXTTMHXMB-AWEZNQCLSA-N 0 0 375.444 3.282 20 10 GGCDRN C[C@H](c1ccco1)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000124862395 1415061924 /nfs/dbraw/zinc/06/19/24/1415061924.db2.gz XYTLJPXTTMHXMB-CQSZACIVSA-N 0 0 375.444 3.282 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)nc3)cc2)CC1 ZINC000124877787 1415065204 /nfs/dbraw/zinc/06/52/04/1415065204.db2.gz GMICTDQMCYDROT-UHFFFAOYSA-N 0 0 386.883 3.226 20 10 GGCDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C(C)C ZINC000124919646 1415072988 /nfs/dbraw/zinc/07/29/88/1415072988.db2.gz OJCTVEJHXXADBE-UHFFFAOYSA-N 0 0 383.492 3.416 20 10 GGCDRN C[C@@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccc(N2CCOCC2)cc1 ZINC000124982846 1415086224 /nfs/dbraw/zinc/08/62/24/1415086224.db2.gz LRYYYHRLOUWABN-OAHLLOKOSA-N 0 0 382.435 3.316 20 10 GGCDRN C[C@@]1(CO)CCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000125071228 1415103639 /nfs/dbraw/zinc/10/36/39/1415103639.db2.gz CMARYGRWSKGXIY-HXUWFJFHSA-N 0 0 397.466 3.061 20 10 GGCDRN O=C(Nc1ccsc1)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000125229061 1415134727 /nfs/dbraw/zinc/13/47/27/1415134727.db2.gz MAPIDOOKQMVNMB-UHFFFAOYSA-N 0 0 395.431 3.073 20 10 GGCDRN CC(C)Oc1ncccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000125235625 1415136323 /nfs/dbraw/zinc/13/63/23/1415136323.db2.gz DGVCNGFVPZMJDY-UHFFFAOYSA-N 0 0 398.507 3.399 20 10 GGCDRN Cc1nn(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c(C)c1[N+](=O)[O-] ZINC000125279636 1415151398 /nfs/dbraw/zinc/15/13/98/1415151398.db2.gz RHKJGMCSXBHNTN-UHFFFAOYSA-N 0 0 398.419 3.326 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(N2CCCC2)nc1 ZINC000125294713 1415156051 /nfs/dbraw/zinc/15/60/51/1415156051.db2.gz HWDCTMZXLPSWBJ-UHFFFAOYSA-N 0 0 377.492 3.057 20 10 GGCDRN O=C(c1ccc(N2CCCC2)nn1)N(Cc1ccco1)Cc1ccccc1O ZINC000125329806 1415166454 /nfs/dbraw/zinc/16/64/54/1415166454.db2.gz ZALZJATWKREBOB-UHFFFAOYSA-N 0 0 378.432 3.218 20 10 GGCDRN CN(CC(=O)N(Cc1ccco1)Cc1ccccc1O)C(=O)c1cccs1 ZINC000125344249 1415169352 /nfs/dbraw/zinc/16/93/52/1415169352.db2.gz HBGJKWWZXOWYAT-UHFFFAOYSA-N 0 0 384.457 3.348 20 10 GGCDRN O=C(NCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1cccs1 ZINC000125347441 1415171253 /nfs/dbraw/zinc/17/12/53/1415171253.db2.gz UKMUHDHQQGUFCE-UHFFFAOYSA-N 0 0 384.457 3.396 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](Cc1ccccc1)C1CC1 ZINC000125422056 1415193656 /nfs/dbraw/zinc/19/36/56/1415193656.db2.gz YKSLPTUCBCDDGA-QFIPXVFZSA-N 0 0 379.504 3.344 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000125421565 1415193742 /nfs/dbraw/zinc/19/37/42/1415193742.db2.gz VSBMLPXZCAMBAD-FQEVSTJZSA-N 0 0 397.494 3.437 20 10 GGCDRN CC1CCN(c2cccc(NS(=O)(=O)c3ccc4c(c3)C(=O)OC4)c2)CC1 ZINC000125518069 1415219159 /nfs/dbraw/zinc/21/91/59/1415219159.db2.gz YWVPIDJRAALVDE-UHFFFAOYSA-N 0 0 386.473 3.394 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Cl)c1OC ZINC000125744072 1415268357 /nfs/dbraw/zinc/26/83/57/1415268357.db2.gz RHOXACWAYCJYCT-UHFFFAOYSA-N 0 0 376.840 3.432 20 10 GGCDRN COc1cc(N(C)Cc2cc(=O)n3cc(Cl)ccc3n2)cc(OC)c1OC ZINC000125761176 1415272816 /nfs/dbraw/zinc/27/28/16/1415272816.db2.gz NVJMSNQDZSJVCU-UHFFFAOYSA-N 0 0 389.839 3.010 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000125763001 1415273384 /nfs/dbraw/zinc/27/33/84/1415273384.db2.gz KHIQTSCGIJWWPL-UHFFFAOYSA-N 0 0 379.508 3.303 20 10 GGCDRN COc1cc(N(C)CC(=O)N[C@H](C)Cc2ccccc2C)cc(OC)c1OC ZINC000125776734 1415278088 /nfs/dbraw/zinc/27/80/88/1415278088.db2.gz ROQRSZXGVHXXOW-MRXNPFEDSA-N 0 0 386.492 3.204 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000125917845 1415312234 /nfs/dbraw/zinc/31/22/34/1415312234.db2.gz KQBQUKZJFKCHEZ-UHFFFAOYSA-N 0 0 379.210 3.264 20 10 GGCDRN Cn1ccnc1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000177947799 1428898344 /nfs/dbraw/zinc/89/83/44/1428898344.db2.gz LAPAIOLIIHRSKD-LJQANCHMSA-N 0 0 381.524 3.185 20 10 GGCDRN C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CCC1 ZINC000125986547 1415330352 /nfs/dbraw/zinc/33/03/52/1415330352.db2.gz JVHDXZGQEXNLNH-LLVKDONJSA-N 0 0 378.384 3.289 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000125988977 1415330831 /nfs/dbraw/zinc/33/08/31/1415330831.db2.gz NTJJNEHUHNXGGT-UHFFFAOYSA-N 0 0 391.475 3.373 20 10 GGCDRN CN1CCCc2ccc(S(=O)(=O)[N-]c3nc(-c4cccnc4)cs3)cc21 ZINC000126110134 1415360489 /nfs/dbraw/zinc/36/04/89/1415360489.db2.gz RMKJFBROSAIKNF-UHFFFAOYSA-N 0 0 386.502 3.388 20 10 GGCDRN COc1ccc(OCCCNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000126117441 1415361856 /nfs/dbraw/zinc/36/18/56/1415361856.db2.gz BHDJWXGQBADSCI-UHFFFAOYSA-N 0 0 381.476 3.340 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](Cn4ccnn4)C3)cc2)CC1 ZINC000126120039 1415362446 /nfs/dbraw/zinc/36/24/46/1415362446.db2.gz WCKNRPGEFHYHBF-HXUWFJFHSA-N 0 0 396.539 3.136 20 10 GGCDRN OC1CCN(c2ccc(CN[C@H](c3ncc[nH]3)c3ccccc3)cc2F)CC1 ZINC000126146112 1415369249 /nfs/dbraw/zinc/36/92/49/1415369249.db2.gz UGUIJEXVMDUNFB-NRFANRHFSA-N 0 0 380.467 3.389 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000177973285 1428908941 /nfs/dbraw/zinc/90/89/41/1428908941.db2.gz DAGRZZOOBSDKIS-LJQANCHMSA-N 0 0 383.540 3.431 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 ZINC000126366751 1415428069 /nfs/dbraw/zinc/42/80/69/1415428069.db2.gz LIXYAKRWKVEPAV-JTQLQIEISA-N 0 0 385.342 3.008 20 10 GGCDRN Cc1cc(C(=O)N2CCC[C@H](O)C2)c(C)n1-c1ccccc1Br ZINC000126413995 1415444749 /nfs/dbraw/zinc/44/47/49/1415444749.db2.gz JFXRSDLXQJZHDU-AWEZNQCLSA-N 0 0 377.282 3.454 20 10 GGCDRN CCO[C@@H](CCNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C ZINC000126418980 1415446937 /nfs/dbraw/zinc/44/69/37/1415446937.db2.gz HHGUAAZHMQLKOJ-SFHVURJKSA-N 0 0 381.492 3.117 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000126509947 1415474333 /nfs/dbraw/zinc/47/43/33/1415474333.db2.gz TUYBPTORKLGMRP-VLCRHTCISA-N 0 0 395.478 3.190 20 10 GGCDRN CS[C@@H]1CCCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000126509244 1415474416 /nfs/dbraw/zinc/47/44/16/1415474416.db2.gz QVSKIIIAEXTPOP-MRXNPFEDSA-N 0 0 381.517 3.089 20 10 GGCDRN COc1ccc(COCCCNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000126531187 1415479530 /nfs/dbraw/zinc/47/95/30/1415479530.db2.gz HQPKRMCZRCNFGX-UHFFFAOYSA-N 0 0 395.503 3.478 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)C3=Cc4cc(F)ccc4OC3)CC2)cc1 ZINC000126603710 1415504670 /nfs/dbraw/zinc/50/46/70/1415504670.db2.gz PQVZECZTUMZPOM-UHFFFAOYSA-N 0 0 382.435 3.395 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3ccc(OCC(F)F)nc3)CC2)cc1 ZINC000126604365 1415505336 /nfs/dbraw/zinc/50/53/36/1415505336.db2.gz NPZFHBJSINGRRU-UHFFFAOYSA-N 0 0 391.418 3.133 20 10 GGCDRN C[C@]1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCO1 ZINC000126653589 1415518253 /nfs/dbraw/zinc/51/82/53/1415518253.db2.gz URNFHISDLYBBID-LJQANCHMSA-N 0 0 383.439 3.125 20 10 GGCDRN C[C@@]1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCO1 ZINC000126653765 1415518356 /nfs/dbraw/zinc/51/83/56/1415518356.db2.gz URNFHISDLYBBID-IBGZPJMESA-N 0 0 383.439 3.125 20 10 GGCDRN O=C(NOCc1cccnc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000126691041 1415527259 /nfs/dbraw/zinc/52/72/59/1415527259.db2.gz XXAVFNZBBRUJTD-UHFFFAOYSA-N 0 0 392.406 3.083 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(N2CCCC2=O)c1 ZINC000126727818 1415540954 /nfs/dbraw/zinc/54/09/54/1415540954.db2.gz DDBPHZHDULJIIV-INIZCTEOSA-N 0 0 380.492 3.440 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1 ZINC000178030485 1428945063 /nfs/dbraw/zinc/94/50/63/1428945063.db2.gz ZJGRQMIUOPNYEK-IBGZPJMESA-N 0 0 386.540 3.123 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000126825078 1415574643 /nfs/dbraw/zinc/57/46/43/1415574643.db2.gz XNFKJSMNPRYAGU-SFHVURJKSA-N 0 0 398.457 3.419 20 10 GGCDRN CCC(CC)n1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000126851098 1415584733 /nfs/dbraw/zinc/58/47/33/1415584733.db2.gz GHEJIERWDRRNAE-UHFFFAOYSA-N 0 0 388.487 3.274 20 10 GGCDRN C[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCO1 ZINC000126923886 1415610476 /nfs/dbraw/zinc/61/04/76/1415610476.db2.gz QAHQXPIYRKVWDJ-AUUYWEPGSA-N 0 0 383.439 3.125 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccn(CC(F)(F)F)c1=O ZINC000126934848 1415613649 /nfs/dbraw/zinc/61/36/49/1415613649.db2.gz WOFIOJBFRCHRDU-UHFFFAOYSA-N 0 0 395.381 3.317 20 10 GGCDRN CC(C)[NH+]1CCN(c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)CC1 ZINC000126972853 1415621852 /nfs/dbraw/zinc/62/18/52/1415621852.db2.gz XNCDNRPPQHHELY-UHFFFAOYSA-N 0 0 377.485 3.157 20 10 GGCDRN CN1CCCc2cc(CNC(=O)Nc3cccn(CC(F)(F)F)c3=O)ccc21 ZINC000126977917 1415622951 /nfs/dbraw/zinc/62/29/51/1415622951.db2.gz NCVVDXGRWOPDBM-UHFFFAOYSA-N 0 0 394.397 3.115 20 10 GGCDRN Cc1cc(C(=O)Cn2cnc3c(cnn3C(C)C)c2=O)c(C)n1-c1ccccc1 ZINC000127086681 1415657826 /nfs/dbraw/zinc/65/78/26/1415657826.db2.gz MNEXFTFGZWSICV-UHFFFAOYSA-N 0 0 389.459 3.464 20 10 GGCDRN O=C(NOCc1cccnc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000127312995 1415732125 /nfs/dbraw/zinc/73/21/25/1415732125.db2.gz GIMONNSDPHRNSZ-OAHLLOKOSA-N 0 0 392.406 3.083 20 10 GGCDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000127548958 1415808059 /nfs/dbraw/zinc/80/80/59/1415808059.db2.gz BRLQHKCGGBRDSE-UHFFFAOYSA-N 0 0 383.448 3.042 20 10 GGCDRN CCc1c(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cnn1CC(C)C ZINC000127557545 1415809861 /nfs/dbraw/zinc/80/98/61/1415809861.db2.gz WONZOGWQMUHYDG-UHFFFAOYSA-N 0 0 385.512 3.464 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CCSc3ccccn3)CC2)cc1F ZINC000127589634 1415815402 /nfs/dbraw/zinc/81/54/02/1415815402.db2.gz WOHMWKMTAKCEPM-UHFFFAOYSA-N 0 0 375.469 3.060 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000178153229 1429001126 /nfs/dbraw/zinc/00/11/26/1429001126.db2.gz WLLVDLUQZVBJQP-UHFFFAOYSA-N 0 0 394.494 3.229 20 10 GGCDRN Cc1cc(C(=O)N2CCN(c3ccc(O)cc3)CC2)c(C)n1-c1ccccn1 ZINC000127676269 1415831170 /nfs/dbraw/zinc/83/11/70/1415831170.db2.gz XKOQBEYSSFQBFQ-UHFFFAOYSA-N 0 0 376.460 3.157 20 10 GGCDRN Cc1cc(C(=O)Nn2cnc3sc(C)c(C)c3c2=O)c(C)n1-c1ccccn1 ZINC000127688303 1415833582 /nfs/dbraw/zinc/83/35/82/1415833582.db2.gz RVXLDTHBNOAVLO-UHFFFAOYSA-N 0 0 393.472 3.261 20 10 GGCDRN CCNC(=O)COc1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000127738479 1415841922 /nfs/dbraw/zinc/84/19/22/1415841922.db2.gz LISQOVCUFNDVCI-UHFFFAOYSA-N 0 0 392.459 3.256 20 10 GGCDRN C[C@@H](NC(=O)CSCc1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000127757029 1415845245 /nfs/dbraw/zinc/84/52/45/1415845245.db2.gz LENKSNILQNNFBN-CQSZACIVSA-N 0 0 377.535 3.090 20 10 GGCDRN C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000127782922 1415849932 /nfs/dbraw/zinc/84/99/32/1415849932.db2.gz CTCOCIAUIRWRFA-INIZCTEOSA-N 0 0 383.448 3.241 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(=O)c2cccnc2)CC1 ZINC000127834830 1415859851 /nfs/dbraw/zinc/85/98/51/1415859851.db2.gz VKSLGCUHZKAGCZ-UHFFFAOYSA-N 0 0 394.500 3.149 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000178182882 1429011406 /nfs/dbraw/zinc/01/14/06/1429011406.db2.gz OKBNGRXLBGEJAI-KRWDZBQOSA-N 0 0 398.463 3.064 20 10 GGCDRN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000127894095 1415871193 /nfs/dbraw/zinc/87/11/93/1415871193.db2.gz VPCZPKPSSFTUKU-KRWDZBQOSA-N 0 0 381.340 3.453 20 10 GGCDRN CC(C)Oc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000127898846 1415872402 /nfs/dbraw/zinc/87/24/02/1415872402.db2.gz FTBHGLHWLUXEIW-JOCHJYFZSA-N 0 0 395.503 3.383 20 10 GGCDRN O=C(NCCCSc1nccs1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000178187532 1429012701 /nfs/dbraw/zinc/01/27/01/1429012701.db2.gz YSABYPGCWIXDDU-UHFFFAOYSA-N 0 0 394.541 3.292 20 10 GGCDRN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000127943609 1415880103 /nfs/dbraw/zinc/88/01/03/1415880103.db2.gz YOEAAQBXARZRHC-QUCCMNQESA-N 0 0 398.551 3.289 20 10 GGCDRN COc1ccccc1OCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127949702 1415881850 /nfs/dbraw/zinc/88/18/50/1415881850.db2.gz LHBOCPWGRRVDDR-UHFFFAOYSA-N 0 0 381.476 3.292 20 10 GGCDRN O=C(COc1ccc(N2CCCC2)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000178194402 1429015231 /nfs/dbraw/zinc/01/52/31/1429015231.db2.gz JDVMMNCQNDGUFK-OAQYLSRUSA-N 0 0 384.451 3.405 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(O)CCCc2ccccc21 ZINC000128025787 1415895595 /nfs/dbraw/zinc/89/55/95/1415895595.db2.gz IBDMLWBMQAZYDI-HSZRJFAPSA-N 0 0 377.488 3.086 20 10 GGCDRN CCOC(=O)CC[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000128034259 1415897650 /nfs/dbraw/zinc/89/76/50/1415897650.db2.gz PASKEGHFSNWZTQ-LJQANCHMSA-N 0 0 385.508 3.328 20 10 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C[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000141508218 1417541528 /nfs/dbraw/zinc/54/15/28/1417541528.db2.gz KGFTZTFXUJGGOF-INIZCTEOSA-N 0 0 396.491 3.108 20 10 GGCDRN C[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C)c1ccc(N2CCOCC2)cc1 ZINC000141553029 1417542753 /nfs/dbraw/zinc/54/27/53/1417542753.db2.gz OLNYPLTYIFXYBH-HNNXBMFYSA-N 0 0 385.512 3.437 20 10 GGCDRN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000821104516 1429201052 /nfs/dbraw/zinc/20/10/52/1429201052.db2.gz HBLQJFLLKVGFST-UHFFFAOYSA-N 0 0 383.427 3.326 20 10 GGCDRN CCOc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145476036 1417688877 /nfs/dbraw/zinc/68/88/77/1417688877.db2.gz RXBRSFAQPHKIKW-QGZVFWFLSA-N 0 0 384.476 3.178 20 10 GGCDRN COc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc(OC)c1C ZINC000145499819 1417689731 /nfs/dbraw/zinc/68/97/31/1417689731.db2.gz IMLGSZUQUPYWDO-INIZCTEOSA-N 0 0 384.476 3.340 20 10 GGCDRN COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145540979 1417691335 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376.460 3.200 20 10 GGCDRN CCOc1ccc(N(C)CC(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000150732031 1417793271 /nfs/dbraw/zinc/79/32/71/1417793271.db2.gz ODGVRTBJBNWXMB-UHFFFAOYSA-N 0 0 382.504 3.386 20 10 GGCDRN CCOc1ccc(N(C)CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000150734655 1417794179 /nfs/dbraw/zinc/79/41/79/1417794179.db2.gz KUTOMOZWEMNDMK-UHFFFAOYSA-N 0 0 395.503 3.074 20 10 GGCDRN COc1ccc(N(CC(=O)Nc2c(C)nn(C)c2C)Cc2ccco2)cc1F ZINC000150868159 1417824074 /nfs/dbraw/zinc/82/40/74/1417824074.db2.gz HETTVBBBXQRWAQ-UHFFFAOYSA-N 0 0 386.427 3.423 20 10 GGCDRN COCCc1noc(CN(C)CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1 ZINC000150979199 1417848017 /nfs/dbraw/zinc/84/80/17/1417848017.db2.gz NPNXSOCXHTXBEL-UHFFFAOYSA-N 0 0 396.491 3.289 20 10 GGCDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000150988618 1417850396 /nfs/dbraw/zinc/85/03/96/1417850396.db2.gz KZPGNPQEQLNINT-UHFFFAOYSA-N 0 0 378.476 3.395 20 10 GGCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1F ZINC000151038191 1417860122 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O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000151604825 1418037464 /nfs/dbraw/zinc/03/74/64/1418037464.db2.gz NJCFTKCOMLYUNL-JKSUJKDBSA-N 0 0 390.405 3.360 20 10 GGCDRN CC(C)c1nn(C)c(Cl)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000151604987 1418037740 /nfs/dbraw/zinc/03/77/40/1418037740.db2.gz OBXBDLXBQWCYQD-UHFFFAOYSA-N 0 0 394.878 3.103 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3ccncc3Br)CC2)cc1 ZINC000151656106 1418051766 /nfs/dbraw/zinc/05/17/66/1418051766.db2.gz YEPHJBCLJWZRAM-UHFFFAOYSA-N 0 0 390.281 3.252 20 10 GGCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N[C@@H]2CCN(C(N)=O)C2)cc1 ZINC000151661693 1418053374 /nfs/dbraw/zinc/05/33/74/1418053374.db2.gz ILTRHUFRFFCRML-XGBCSFPLSA-N 0 0 380.452 3.051 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000151777408 1418084885 /nfs/dbraw/zinc/08/48/85/1418084885.db2.gz WLMDLBKQZUCGAL-UHFFFAOYSA-N 0 0 382.386 3.045 20 10 GGCDRN CCS(=O)(=O)c1ccc2oc(CN(C)c3ccc(OC)c(F)c3)nc2c1 ZINC000151836106 1418097695 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CC1CCN(c2ccc(CNC(=O)c3cc(OC(F)F)n(C)n3)cc2)CC1 ZINC000184264313 1430864405 /nfs/dbraw/zinc/86/44/05/1430864405.db2.gz IOHPCFBEIYMOPA-UHFFFAOYSA-N 0 0 378.423 3.188 20 10 GGCDRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000184265091 1430864625 /nfs/dbraw/zinc/86/46/25/1430864625.db2.gz MDBNQISXJUIUMX-UHFFFAOYSA-N 0 0 397.447 3.146 20 10 GGCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1-c1nnnn1C1CC1 ZINC000184350605 1430876503 /nfs/dbraw/zinc/87/65/03/1430876503.db2.gz YZUSPJIDCDVOHY-UHFFFAOYSA-N 0 0 390.491 3.432 20 10 GGCDRN O=C(NCCC[C@H]1CCCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000184399136 1430883129 /nfs/dbraw/zinc/88/31/29/1430883129.db2.gz PGYYQSJEFWUXPZ-MOPGFXCFSA-N 0 0 376.497 3.432 20 10 GGCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000184454275 1430889919 /nfs/dbraw/zinc/88/99/19/1430889919.db2.gz KQNFOPVCOGPYKS-UHFFFAOYSA-N 0 0 395.456 3.200 20 10 GGCDRN Cn1nc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1OC(F)F ZINC000184560010 1430904482 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COc1cc(N2CCN(C(=O)c3cccc4cc[nH]c43)CC2)cc(OC)c1OC ZINC000184874925 1431009409 /nfs/dbraw/zinc/00/94/09/1431009409.db2.gz SIHRIYUCYNWEEN-UHFFFAOYSA-N 0 0 395.459 3.156 20 10 GGCDRN Cc1ccc2c(c1)nc(CNC(=O)/C=C/c1ccc(N3CCOCC3)cc1)n2C ZINC000184875991 1431009738 /nfs/dbraw/zinc/00/97/38/1431009738.db2.gz FVQMLNANCKMAJT-UXBLZVDNSA-N 0 0 390.487 3.048 20 10 GGCDRN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000184881671 1431011271 /nfs/dbraw/zinc/01/12/71/1431011271.db2.gz XRVILHAGAJBYAP-INIZCTEOSA-N 0 0 378.476 3.375 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185068798 1431053551 /nfs/dbraw/zinc/05/35/51/1431053551.db2.gz SKFIXDPBAQNAKV-UHFFFAOYSA-N 0 0 378.423 3.284 20 10 GGCDRN C[C@H](c1nccs1)N1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000185071901 1431054265 /nfs/dbraw/zinc/05/42/65/1431054265.db2.gz UZMSTUBOXNOBAF-CYBMUJFWSA-N 0 0 397.595 3.170 20 10 GGCDRN CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185133509 1431069257 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GGCDRN CCSCc1cc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)no1 ZINC000185324241 1431114277 /nfs/dbraw/zinc/11/42/77/1431114277.db2.gz XZETWHFJEXXUGN-UHFFFAOYSA-N 0 0 375.494 3.289 20 10 GGCDRN COCc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1-c1ccccc1 ZINC000185340661 1431120118 /nfs/dbraw/zinc/12/01/18/1431120118.db2.gz JTCBGMDCBZJHDG-UHFFFAOYSA-N 0 0 390.487 3.331 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000185386497 1431133043 /nfs/dbraw/zinc/13/30/43/1431133043.db2.gz JPDFILXTKNICEV-OAHLLOKOSA-N 0 0 398.503 3.263 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc(OC)c1OC ZINC000185479861 1431154321 /nfs/dbraw/zinc/15/43/21/1431154321.db2.gz SUQCSHLELRJUJQ-UHFFFAOYSA-N 0 0 395.459 3.156 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc(OC)c1OC ZINC000185480380 1431154613 /nfs/dbraw/zinc/15/46/13/1431154613.db2.gz OEIBCLADEWGMFM-UHFFFAOYSA-N 0 0 395.459 3.156 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(OC)c1OC ZINC000185480327 1431154755 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COCCOc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(Cl)c1 ZINC000186170217 1431346336 /nfs/dbraw/zinc/34/63/36/1431346336.db2.gz BUNCEWKGVHXQEF-UHFFFAOYSA-N 0 0 390.867 3.470 20 10 GGCDRN CCSCc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000186227779 1431357733 /nfs/dbraw/zinc/35/77/33/1431357733.db2.gz YCCRKXYBBMMJAI-HNNXBMFYSA-N 0 0 376.478 3.455 20 10 GGCDRN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186270752 1431367468 /nfs/dbraw/zinc/36/74/68/1431367468.db2.gz GQNWQSZUDQXZFS-RTWAWAEBSA-N 0 0 389.540 3.258 20 10 GGCDRN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186271519 1431367856 /nfs/dbraw/zinc/36/78/56/1431367856.db2.gz GQNWQSZUDQXZFS-SFTDATJTSA-N 0 0 389.540 3.258 20 10 GGCDRN C[C@@](O)(CCNC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000186346879 1431388820 /nfs/dbraw/zinc/38/88/20/1431388820.db2.gz PSYPKKRAPDPGDK-JOCHJYFZSA-N 0 0 399.560 3.337 20 10 GGCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 ZINC000186348467 1431389164 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3.121 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3CCC(Cn4cncn4)CC3)cc2)CC1 ZINC000186619614 1431471450 /nfs/dbraw/zinc/47/14/50/1431471450.db2.gz OPPZNGWMRDUPHO-UHFFFAOYSA-N 0 0 396.539 3.136 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000186659333 1431483265 /nfs/dbraw/zinc/48/32/65/1431483265.db2.gz BXWWLQMNELIMBJ-DEOSSOPVSA-N 0 0 393.531 3.103 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2CCN(CC(F)(F)F)CC2)c1 ZINC000186731694 1431504211 /nfs/dbraw/zinc/50/42/11/1431504211.db2.gz LMKZEPTYBKOHDL-LBPRGKRZSA-N 0 0 389.418 3.035 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 ZINC000186739069 1431505972 /nfs/dbraw/zinc/50/59/72/1431505972.db2.gz GAVDRHKRTWNCSF-UHFFFAOYSA-N 0 0 386.462 3.168 20 10 GGCDRN CC(=O)c1cc(F)cc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1O ZINC000186942626 1431572691 /nfs/dbraw/zinc/57/26/91/1431572691.db2.gz LGGFVIFHYBFUCU-UHFFFAOYSA-N 0 0 375.415 3.443 20 10 GGCDRN C[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1nccs1 ZINC000187030790 1431595420 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O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187144094 1431629531 /nfs/dbraw/zinc/62/95/31/1431629531.db2.gz NNNPQSDWAWSDKS-RUDMXATFSA-N 0 0 378.428 3.439 20 10 GGCDRN O=S(=O)(c1cnn(CC(F)F)c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000187145223 1431629912 /nfs/dbraw/zinc/62/99/12/1431629912.db2.gz RPFZFWDIYQXLKH-UHFFFAOYSA-N 0 0 399.463 3.377 20 10 GGCDRN COc1ccc2c(c1)nc(CNC(=O)c1cc(C)n(-c3ccccn3)c1C)n2C ZINC000187310244 1431691512 /nfs/dbraw/zinc/69/15/12/1431691512.db2.gz MQSJADPFAGFNSN-UHFFFAOYSA-N 0 0 389.459 3.314 20 10 GGCDRN COc1cc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)ccc1F ZINC000187326573 1431697520 /nfs/dbraw/zinc/69/75/20/1431697520.db2.gz BWJOTAWNSAIPNJ-UHFFFAOYSA-N 0 0 398.390 3.300 20 10 GGCDRN CC(C)(O)CN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000187340827 1431702919 /nfs/dbraw/zinc/70/29/19/1431702919.db2.gz JHKIPJDZRJUTCW-AWEZNQCLSA-N 0 0 397.466 3.202 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(F)ccc(F)c1F ZINC000187498031 1431748724 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CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2[nH]nc3c2CCCC3)cc1 ZINC000188845168 1431996062 /nfs/dbraw/zinc/99/60/62/1431996062.db2.gz SNFSCRRWABVFEO-IBGZPJMESA-N 0 0 396.535 3.105 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000188891206 1432003838 /nfs/dbraw/zinc/00/38/38/1432003838.db2.gz OHIYIEJCZRNYOQ-VQIMIIECSA-N 0 0 397.441 3.346 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1COC1CCOCC1 ZINC000188905928 1432006045 /nfs/dbraw/zinc/00/60/45/1432006045.db2.gz ZOAANEYGZVMVMD-UHFFFAOYSA-N 0 0 396.487 3.487 20 10 GGCDRN COc1ccc(C(C)(C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC ZINC000188905956 1432006168 /nfs/dbraw/zinc/00/61/68/1432006168.db2.gz XPPOCJWJYSJGEB-UHFFFAOYSA-N 0 0 384.476 3.473 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000188906043 1432006183 /nfs/dbraw/zinc/00/61/83/1432006183.db2.gz HXHVOXUJHCWGIG-UHFFFAOYSA-N 0 0 378.388 3.248 20 10 GGCDRN CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188908762 1432006549 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CCCN(Cc1ccccc1O)C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000189283082 1432078137 /nfs/dbraw/zinc/07/81/37/1432078137.db2.gz JFRZEPQVKGZKCV-IAGOWNOFSA-N 0 0 383.492 3.453 20 10 GGCDRN O=C(NCCCSc1nccs1)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189318427 1432085328 /nfs/dbraw/zinc/08/53/28/1432085328.db2.gz UTHMVXFQKHZZOV-FZMZJTMJSA-N 0 0 397.488 3.408 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)CC1 ZINC000189333337 1432087960 /nfs/dbraw/zinc/08/79/60/1432087960.db2.gz YKVJSMBMDLOFFE-UHFFFAOYSA-N 0 0 375.831 3.400 20 10 GGCDRN CCc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1[N+](=O)[O-] ZINC000189337373 1432089043 /nfs/dbraw/zinc/08/90/43/1432089043.db2.gz JKJXZEYCQJGWJF-UHFFFAOYSA-N 0 0 396.447 3.078 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(OCC4CC4)cc3)c2)CC1 ZINC000189338745 1432089626 /nfs/dbraw/zinc/08/96/26/1432089626.db2.gz CFONLMVHEBPPGF-UHFFFAOYSA-N 0 0 393.487 3.396 20 10 GGCDRN COc1ccncc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189446780 1432114258 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CN(Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000190180029 1432334626 /nfs/dbraw/zinc/33/46/26/1432334626.db2.gz ITOSCRYTVAOSKJ-LJQANCHMSA-N 0 0 375.513 3.170 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)n(C4CC4)c3C)cc2)CC1 ZINC000190234953 1432346193 /nfs/dbraw/zinc/34/61/93/1432346193.db2.gz FULWXULLVCYCEU-UHFFFAOYSA-N 0 0 394.519 3.038 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@]3(CO)CC(C)C)CC2)cc1 ZINC000190479177 1432389151 /nfs/dbraw/zinc/38/91/51/1432389151.db2.gz HJAMMQUHIBQEIM-JOCHJYFZSA-N 0 0 389.540 3.247 20 10 GGCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]nc1C1CC1 ZINC000190514686 1432396232 /nfs/dbraw/zinc/39/62/32/1432396232.db2.gz RQTWHNIEQKTQDU-CYBMUJFWSA-N 0 0 376.407 3.287 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CC(C)(C)c3ccccc3)cc2)CC1 ZINC000190572736 1432410707 /nfs/dbraw/zinc/41/07/07/1432410707.db2.gz XVONVWUENMYCLZ-UHFFFAOYSA-N 0 0 393.531 3.339 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3C)cc2)CC1 ZINC000190574710 1432410989 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O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1(Cc2ccccc2F)CC1 ZINC000190760126 1432469590 /nfs/dbraw/zinc/46/95/90/1432469590.db2.gz KVFOJEVJJYHCGA-UHFFFAOYSA-N 0 0 386.442 3.441 20 10 GGCDRN CC(C)(C)n1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)nn1 ZINC000190788129 1432479696 /nfs/dbraw/zinc/47/96/96/1432479696.db2.gz PMQYWGIZPZNUFF-UHFFFAOYSA-N 0 0 397.445 3.178 20 10 GGCDRN COCCN(C)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cn1 ZINC000190789835 1432480617 /nfs/dbraw/zinc/48/06/17/1432480617.db2.gz LQPFCWNOGACYAW-UHFFFAOYSA-N 0 0 386.565 3.007 20 10 GGCDRN CC[C@]1(CO)CCCN1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190860938 1432511432 /nfs/dbraw/zinc/51/14/32/1432511432.db2.gz YMWYFDLEYHFDLS-MGPUTAFESA-N 0 0 397.466 3.203 20 10 GGCDRN FC(F)(F)Cn1nnnc1CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000190954414 1432537047 /nfs/dbraw/zinc/53/70/47/1432537047.db2.gz VFTDDMRGLXZTDR-UHFFFAOYSA-N 0 0 381.280 3.087 20 10 GGCDRN Cc1cnn(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2F)c1 ZINC000190964764 1432539118 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COc1cc(NC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cc(OC)c1 ZINC000272602637 1434913628 /nfs/dbraw/zinc/91/36/28/1434913628.db2.gz HHOVSOCUXWXOOX-GQCTYLIASA-N 0 0 398.459 3.231 20 10 GGCDRN COc1ccccc1COC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272695412 1434923591 /nfs/dbraw/zinc/92/35/91/1434923591.db2.gz VCOBIHIZVXSPIG-VQHVLOKHSA-N 0 0 383.444 3.327 20 10 GGCDRN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000272833968 1434934619 /nfs/dbraw/zinc/93/46/19/1434934619.db2.gz OPFFXJNNQYHVHO-HRAATJIYSA-N 0 0 392.515 3.244 20 10 GGCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000272833971 1434934624 /nfs/dbraw/zinc/93/46/24/1434934624.db2.gz OPFFXJNNQYHVHO-IERDGZPVSA-N 0 0 392.515 3.244 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000272842111 1434935275 /nfs/dbraw/zinc/93/52/75/1434935275.db2.gz OREGFIJURFLQOU-UHFFFAOYSA-N 0 0 395.463 3.103 20 10 GGCDRN Cc1cc2c(cc1NC(=O)NCc1ccc(N3CCOCC3)c(F)c1)OCO2 ZINC000272851862 1434936036 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3.234 20 10 GGCDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1SC ZINC000273230584 1434974074 /nfs/dbraw/zinc/97/40/74/1434974074.db2.gz WXCKTOYAMCWSOZ-JTQLQIEISA-N 0 0 392.433 3.098 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298385 1434979123 /nfs/dbraw/zinc/97/91/23/1434979123.db2.gz ARUDCOXJIUBKKK-CYBMUJFWSA-N 0 0 375.400 3.127 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000273364879 1434983416 /nfs/dbraw/zinc/98/34/16/1434983416.db2.gz DXFXWHMGYHFNLV-KGLIPLIRSA-N 0 0 399.447 3.370 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(CN3CCCC3=O)c2)c1 ZINC000273387966 1434985516 /nfs/dbraw/zinc/98/55/16/1434985516.db2.gz KAPIYBYOELKWRP-OAHLLOKOSA-N 0 0 382.460 3.152 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273404542 1434986735 /nfs/dbraw/zinc/98/67/35/1434986735.db2.gz OENHYGCCKAHARV-OAHLLOKOSA-N 0 0 385.464 3.360 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000273411853 1434987049 /nfs/dbraw/zinc/98/70/49/1434987049.db2.gz PVSYMGSHLWVORK-JLTOFOAXSA-N 0 0 398.459 3.147 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2OCC(F)(F)F)c1 ZINC000273418160 1434987470 /nfs/dbraw/zinc/98/74/70/1434987470.db2.gz RKZDZBYKGKMQGW-NSHDSACASA-N 0 0 384.354 3.366 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c1 ZINC000273417159 1434987477 /nfs/dbraw/zinc/98/74/77/1434987477.db2.gz RCIFZEKVEJTAES-OAHLLOKOSA-N 0 0 382.460 3.152 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273421891 1434987822 /nfs/dbraw/zinc/98/78/22/1434987822.db2.gz SFHAKJXHKSFIMI-SNVBAGLBSA-N 0 0 394.353 3.091 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000273434866 1434988654 /nfs/dbraw/zinc/98/86/54/1434988654.db2.gz WPWPHIUGTXVGAC-KXBFYZLASA-N 0 0 382.460 3.193 20 10 GGCDRN 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377.510 3.054 20 10 GGCDRN CCCCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1[C@H](CC)N(C)C ZINC000274187292 1435049720 /nfs/dbraw/zinc/04/97/20/1435049720.db2.gz YXDXICAMVMTYRF-AWEZNQCLSA-N 0 0 392.525 3.477 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccccc1OCC(F)(F)F ZINC000274215222 1435051890 /nfs/dbraw/zinc/05/18/90/1435051890.db2.gz PMBYVXZQIQLYIM-LBPRGKRZSA-N 0 0 399.365 3.165 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccccc1OCC(F)(F)F ZINC000274215220 1435052051 /nfs/dbraw/zinc/05/20/51/1435052051.db2.gz PMBYVXZQIQLYIM-GFCCVEGCSA-N 0 0 399.365 3.165 20 10 GGCDRN Cc1cc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)ccc1O ZINC000274312172 1435060442 /nfs/dbraw/zinc/06/04/42/1435060442.db2.gz GBDMGTVVNJWSPD-CYBMUJFWSA-N 0 0 381.425 3.056 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000274362683 1435065288 /nfs/dbraw/zinc/06/52/88/1435065288.db2.gz UHZODQZZJDIWCH-IRXDYDNUSA-N 0 0 390.405 3.360 20 10 GGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCCc2c[nH]nn2)cc1 ZINC000274424827 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ZINC000275014024 1435109747 /nfs/dbraw/zinc/10/97/47/1435109747.db2.gz NTPLXOCRNHLBBW-UHFFFAOYSA-N 0 0 393.369 3.479 20 10 GGCDRN CCn1cc(-c2nn(C)cc2C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)cn1 ZINC000275062495 1435113767 /nfs/dbraw/zinc/11/37/67/1435113767.db2.gz WMPKCKXOUHVYIU-ZDUSSCGKSA-N 0 0 375.432 3.024 20 10 GGCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C3CC3)c3c(C)cccc32)cn1 ZINC000275071793 1435114301 /nfs/dbraw/zinc/11/43/01/1435114301.db2.gz ZXNJZCYVWMBQAJ-UHFFFAOYSA-N 0 0 390.491 3.241 20 10 GGCDRN CCOCc1cc(CN[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)ccc1OC ZINC000275112428 1435116871 /nfs/dbraw/zinc/11/68/71/1435116871.db2.gz GQHNPKMBCJMAHG-OAQYLSRUSA-N 0 0 385.460 3.171 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275201882 1435122493 /nfs/dbraw/zinc/12/24/93/1435122493.db2.gz DEZCESDISRQYCS-CYBMUJFWSA-N 0 0 399.438 3.296 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000275345016 1435132898 /nfs/dbraw/zinc/13/28/98/1435132898.db2.gz IHNVXMSHQMVYJS-UHFFFAOYSA-N 0 0 375.469 3.101 20 10 GGCDRN Cc1cc(/C=C/C(=O)N2CCOC[C@H]2c2nnc(C)o2)c(C)n1-c1ccccc1 ZINC000275359414 1435133933 /nfs/dbraw/zinc/13/39/33/1435133933.db2.gz MPAZYOVYJYBLML-XTXLJPNXSA-N 0 0 392.459 3.399 20 10 GGCDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1C ZINC000275372846 1435134866 /nfs/dbraw/zinc/13/48/66/1435134866.db2.gz NWMNQXJRNQDNCG-FPOVZHCZSA-N 0 0 382.508 3.063 20 10 GGCDRN COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(OC)c1 ZINC000275628743 1435154124 /nfs/dbraw/zinc/15/41/24/1435154124.db2.gz AVRFJFIXLSFIIQ-UHFFFAOYSA-N 0 0 399.491 3.146 20 10 GGCDRN COCc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275714303 1435162102 /nfs/dbraw/zinc/16/21/02/1435162102.db2.gz MRUJRSXINBARQJ-UHFFFAOYSA-N 0 0 383.492 3.275 20 10 GGCDRN Cc1nn(C)c(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1C ZINC000275740152 1435164474 /nfs/dbraw/zinc/16/44/74/1435164474.db2.gz YMWJLCKRLFAUTF-UHFFFAOYSA-N 0 0 384.480 3.043 20 10 GGCDRN CCCCn1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275751810 1435165463 /nfs/dbraw/zinc/16/54/63/1435165463.db2.gz RXTNPMOJSRFQMQ-UHFFFAOYSA-N 0 0 385.512 3.125 20 10 GGCDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275800516 1435170789 /nfs/dbraw/zinc/17/07/89/1435170789.db2.gz YFJJEJSXNJABNI-UHFFFAOYSA-N 0 0 388.899 3.485 20 10 GGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3nnc(SC)s3)ccc21 ZINC000275819504 1435172548 /nfs/dbraw/zinc/17/25/48/1435172548.db2.gz ZNRFEHKPXIOGLB-UHFFFAOYSA-N 0 0 390.534 3.408 20 10 GGCDRN Cn1cnc2cc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)ccc21 ZINC000275870441 1435176020 /nfs/dbraw/zinc/17/60/20/1435176020.db2.gz OIXJGXXPVPBOGS-UHFFFAOYSA-N 0 0 391.475 3.317 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](N(C)Cc3ncccn3)C2)c(C)n1-c1ccccc1 ZINC000275875713 1435176397 /nfs/dbraw/zinc/17/63/97/1435176397.db2.gz GSBBFVJOQFHOMN-FQEVSTJZSA-N 0 0 389.503 3.231 20 10 GGCDRN CN1Cc2ccc(NC(=O)C(=O)N(CC3CCCC3)c3ccc(N)cc3)cc2C1 ZINC000275878232 1435176633 /nfs/dbraw/zinc/17/66/33/1435176633.db2.gz PIOJBAWAAZCTLV-UHFFFAOYSA-N 0 0 392.503 3.376 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000275881608 1435176818 /nfs/dbraw/zinc/17/68/18/1435176818.db2.gz KYEQPHUJWQEGFC-UHFFFAOYSA-N 0 0 384.432 3.277 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000275886716 1435177272 /nfs/dbraw/zinc/17/72/72/1435177272.db2.gz LJCLKCNUCLFMHD-UHFFFAOYSA-N 0 0 395.459 3.044 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000275941938 1435181356 /nfs/dbraw/zinc/18/13/56/1435181356.db2.gz SSEWOEDNLMEYHX-UHFFFAOYSA-N 0 0 383.448 3.036 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC)c(OC)c1 ZINC000275988041 1435184119 /nfs/dbraw/zinc/18/41/19/1435184119.db2.gz YZHJXOHCZFDNCU-UHFFFAOYSA-N 0 0 386.448 3.177 20 10 GGCDRN C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000276068522 1435189044 /nfs/dbraw/zinc/18/90/44/1435189044.db2.gz LIBNVMSEERAXRH-MICHOEDFSA-N 0 0 396.447 3.039 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccccc3OC(C)C)cc2)CC1 ZINC000276105440 1435191122 /nfs/dbraw/zinc/19/11/22/1435191122.db2.gz GTIJGPBHVWDQAA-UHFFFAOYSA-N 0 0 395.503 3.072 20 10 GGCDRN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000276169388 1435195278 /nfs/dbraw/zinc/19/52/78/1435195278.db2.gz UXCNJDWGUXLAPT-MRXNPFEDSA-N 0 0 385.430 3.396 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000276252747 1435200200 /nfs/dbraw/zinc/20/02/00/1435200200.db2.gz ZHONEGDPKDSQNF-CQSZACIVSA-N 0 0 398.459 3.105 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H](C)c3ccc(F)cc3)cc2)CC1 ZINC000276287732 1435202486 /nfs/dbraw/zinc/20/24/86/1435202486.db2.gz NOEDUPLEWUSWBU-KRWDZBQOSA-N 0 0 397.494 3.304 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccc(Cl)c3)cc2)CC1 ZINC000276315040 1435204179 /nfs/dbraw/zinc/20/41/79/1435204179.db2.gz VBSLUYCDKHATOE-INIZCTEOSA-N 0 0 399.922 3.428 20 10 GGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)c(C)n1-c1ccccc1 ZINC000276334191 1435205515 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20 10 GGCDRN Cc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)c(C)n1-c1ccccc1 ZINC000276788374 1435232626 /nfs/dbraw/zinc/23/26/26/1435232626.db2.gz VIMSFIRPRLDICV-LAUBAEHRSA-N 0 0 378.476 3.335 20 10 GGCDRN COCCOc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1F ZINC000276860792 1435238205 /nfs/dbraw/zinc/23/82/05/1435238205.db2.gz KBQYONAVSYWJRR-LBPRGKRZSA-N 0 0 378.400 3.015 20 10 GGCDRN COC(=O)[C@H](C)Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276898715 1435241197 /nfs/dbraw/zinc/24/11/97/1435241197.db2.gz PGQIJUAGYZVWND-ZIAGYGMSSA-N 0 0 386.448 3.202 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000276901833 1435241412 /nfs/dbraw/zinc/24/14/12/1435241412.db2.gz PPRYIRDMRSPKEM-KBXCAEBGSA-N 0 0 386.448 3.408 20 10 GGCDRN CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000276912521 1435242422 /nfs/dbraw/zinc/24/24/22/1435242422.db2.gz KVACLQGOJGLCFC-CQSZACIVSA-N 0 0 389.446 3.190 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276939407 1435245202 /nfs/dbraw/zinc/24/52/02/1435245202.db2.gz NEYDYPXCABRDCF-BIENSFFJSA-N 0 0 399.447 3.142 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000276939409 1435245255 /nfs/dbraw/zinc/24/52/55/1435245255.db2.gz NEYDYPXCABRDCF-YERXGYGTSA-N 0 0 399.447 3.142 20 10 GGCDRN CCCc1cnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000276960193 1435247313 /nfs/dbraw/zinc/24/73/13/1435247313.db2.gz AVPAKORFJUHFLP-UHFFFAOYSA-N 0 0 386.521 3.291 20 10 GGCDRN COC1(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 ZINC000276999636 1435250873 /nfs/dbraw/zinc/25/08/73/1435250873.db2.gz YMOIYWYJCOEIRH-UHFFFAOYSA-N 0 0 386.414 3.117 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCN(c2ccccc2)C1 ZINC000277264724 1435287011 /nfs/dbraw/zinc/28/70/11/1435287011.db2.gz IXHVKGVWHWTKOX-HNNXBMFYSA-N 0 0 399.878 3.336 20 10 GGCDRN C[C@@H]1C(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)N1C1CCC1 ZINC000277297379 1435290843 /nfs/dbraw/zinc/29/08/43/1435290843.db2.gz KSWUJDKWCSQBDC-QLFBSQMISA-N 0 0 389.471 3.145 20 10 GGCDRN COCC[C@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277315648 1435293041 /nfs/dbraw/zinc/29/30/41/1435293041.db2.gz SZMAMIBYYBLMMH-CQSZACIVSA-N 0 0 378.812 3.181 20 10 GGCDRN COC[C@H](c1ccc(C)o1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277319133 1435293483 /nfs/dbraw/zinc/29/34/83/1435293483.db2.gz MBJCMDJJHNXFHK-CQSZACIVSA-N 0 0 378.812 3.099 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCc1nc2ccccc2[nH]1 ZINC000277421327 1435303688 /nfs/dbraw/zinc/30/36/88/1435303688.db2.gz RFADEDMXVAHJOJ-UHFFFAOYSA-N 0 0 398.850 3.319 20 10 GGCDRN Cc1cc(C(=O)NC2CCN(c3cccnn3)CC2)c(C)n1-c1ccccc1 ZINC000277594982 1435315183 /nfs/dbraw/zinc/31/51/83/1435315183.db2.gz PLTKSNMWCAVMLS-UHFFFAOYSA-N 0 0 375.476 3.283 20 10 GGCDRN CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000277677966 1435321265 /nfs/dbraw/zinc/32/12/65/1435321265.db2.gz FHSYNIZZFVCIKK-AWEZNQCLSA-N 0 0 391.489 3.033 20 10 GGCDRN O=C1CCCN1c1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000278072454 1435356290 /nfs/dbraw/zinc/35/62/90/1435356290.db2.gz NKKIEQPSEKAKRU-UHFFFAOYSA-N 0 0 399.834 3.141 20 10 GGCDRN COc1c([O-])c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278181237 1435367230 /nfs/dbraw/zinc/36/72/30/1435367230.db2.gz GXFOCDBDEQPPSP-UHFFFAOYSA-N 0 0 385.420 3.160 20 10 GGCDRN C(=C/c1ccc(N2CCOCC2)cc1)\c1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000278223220 1435371108 /nfs/dbraw/zinc/37/11/08/1435371108.db2.gz XXUJBSKJUKYHKU-WOPDUGCTSA-N 0 0 396.491 3.002 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227662 1435371594 /nfs/dbraw/zinc/37/15/94/1435371594.db2.gz MKUPBDXEBGWYOH-GXTWGEPZSA-N 0 0 395.456 3.044 20 10 GGCDRN COCCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000278232517 1435371936 /nfs/dbraw/zinc/37/19/36/1435371936.db2.gz SCOXUMWEDQOJRX-UHFFFAOYSA-N 0 0 390.823 3.040 20 10 GGCDRN O=C(c1cc2ccccc2c(=O)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278280178 1435376062 /nfs/dbraw/zinc/37/60/62/1435376062.db2.gz GCURGMNZZNOZTD-QGZVFWFLSA-N 0 0 379.412 3.320 20 10 GGCDRN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000278327166 1435380256 /nfs/dbraw/zinc/38/02/56/1435380256.db2.gz UPNXQMAYUAYENJ-GDBMZVCRSA-N 0 0 377.485 3.322 20 10 GGCDRN COC(=O)c1coc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000278328111 1435380517 /nfs/dbraw/zinc/38/05/17/1435380517.db2.gz VXBFZGPDZIKJJH-CYBMUJFWSA-N 0 0 376.428 3.017 20 10 GGCDRN C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000278409152 1435388432 /nfs/dbraw/zinc/38/84/32/1435388432.db2.gz RONHPJNBRHSXEM-BZDCKHMYSA-N 0 0 376.453 3.015 20 10 GGCDRN C[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000278409153 1435388482 /nfs/dbraw/zinc/38/84/82/1435388482.db2.gz RONHPJNBRHSXEM-CSIFZYERSA-N 0 0 376.453 3.015 20 10 GGCDRN COc1c(O)c(CNc2ccc(Cc3nnc4n3CCC4)cc2)ccc1[N+](=O)[O-] ZINC000278425810 1435389949 /nfs/dbraw/zinc/38/99/49/1435389949.db2.gz SHCSIKKZVZTOTA-UHFFFAOYSA-N 0 0 395.419 3.050 20 10 GGCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 ZINC000278438745 1435391073 /nfs/dbraw/zinc/39/10/73/1435391073.db2.gz KDJSKKKSAHMBFS-MRXNPFEDSA-N 0 0 379.512 3.488 20 10 GGCDRN CN(Cc1nc(Cc2cccc(F)c2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000278490636 1435394832 /nfs/dbraw/zinc/39/48/32/1435394832.db2.gz JIUVNXKNVYLYKH-UHFFFAOYSA-N 0 0 396.466 3.268 20 10 GGCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](O)c1c(F)cccc1F ZINC000278493276 1435395013 /nfs/dbraw/zinc/39/50/13/1435395013.db2.gz LXCWFBXICIWEKI-CXAGYDPISA-N 0 0 382.363 3.189 20 10 GGCDRN CCN(CC)c1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1 ZINC000278498057 1435395268 /nfs/dbraw/zinc/39/52/68/1435395268.db2.gz NBJRCRQXZLCESZ-UHFFFAOYSA-N 0 0 379.512 3.318 20 10 GGCDRN COc1c(O)c(CNc2ccc(C)c(-c3nnnn3C3CC3)c2)ccc1[N+](=O)[O-] ZINC000278523718 1435397091 /nfs/dbraw/zinc/39/70/91/1435397091.db2.gz SRBACJFWRBXBRD-UHFFFAOYSA-N 0 0 396.407 3.218 20 10 GGCDRN COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278525614 1435397214 /nfs/dbraw/zinc/39/72/14/1435397214.db2.gz TUKCZBSCCJRAHT-XIKOKIGWSA-N 0 0 376.409 3.183 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278528104 1435397368 /nfs/dbraw/zinc/39/73/68/1435397368.db2.gz UHYUGUYIKFVOQX-WBVHZDCISA-N 0 0 376.384 3.458 20 10 GGCDRN COc1c(O)c(CNc2ccccc2N2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000278534939 1435398113 /nfs/dbraw/zinc/39/81/13/1435398113.db2.gz VVAYQEPORHCQKM-UHFFFAOYSA-N 0 0 387.436 3.130 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278537487 1435398120 /nfs/dbraw/zinc/39/81/20/1435398120.db2.gz WMFNHXCKKNZGBT-YOEHRIQHSA-N 0 0 380.347 3.207 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278537483 1435398159 /nfs/dbraw/zinc/39/81/59/1435398159.db2.gz WMFNHXCKKNZGBT-WMLDXEAASA-N 0 0 380.347 3.207 20 10 GGCDRN CN(C)c1ncnc(Cl)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278539669 1435398372 /nfs/dbraw/zinc/39/83/72/1435398372.db2.gz GCBHEYKOPQYPTI-OAHLLOKOSA-N 0 0 376.888 3.083 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000278571893 1435401075 /nfs/dbraw/zinc/40/10/75/1435401075.db2.gz CXKKSKRYWPAGLQ-UHFFFAOYSA-N 0 0 382.420 3.401 20 10 GGCDRN COc1c([O-])c(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000278573741 1435401427 /nfs/dbraw/zinc/40/14/27/1435401427.db2.gz DFQLXFBUPUHBIQ-UHFFFAOYSA-N 0 0 390.411 3.286 20 10 GGCDRN COc1c([O-])c(C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000278631857 1435407981 /nfs/dbraw/zinc/40/79/81/1435407981.db2.gz GXYWFEKNUGQWFR-UHFFFAOYSA-N 0 0 399.447 3.012 20 10 GGCDRN O=S1(=O)CC[C@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)C1 ZINC000278685791 1435414127 /nfs/dbraw/zinc/41/41/27/1435414127.db2.gz MEYRNSHPRXEZOF-NVXWUHKLSA-N 0 0 392.546 3.256 20 10 GGCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc(NC(C)=O)nc3)ccc21 ZINC000278689669 1435414335 /nfs/dbraw/zinc/41/43/35/1435414335.db2.gz IULQSPCVEWJCKD-UHFFFAOYSA-N 0 0 394.475 3.188 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278893946 1435436481 /nfs/dbraw/zinc/43/64/81/1435436481.db2.gz QDQVOUXWJDGSPI-HNNXBMFYSA-N 0 0 377.466 3.297 20 10 GGCDRN COc1c([O-])c(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)ccc1[N+](=O)[O-] ZINC000278938226 1435442583 /nfs/dbraw/zinc/44/25/83/1435442583.db2.gz XFKMFLGHHWHGBH-UHFFFAOYSA-N 0 0 376.384 3.244 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)ccc1[N+](=O)[O-] ZINC000278943119 1435443143 /nfs/dbraw/zinc/44/31/43/1435443143.db2.gz YDPPCNSAXRXBIO-UHFFFAOYSA-N 0 0 396.447 3.460 20 10 GGCDRN Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 ZINC000278959738 1435445776 /nfs/dbraw/zinc/44/57/76/1435445776.db2.gz NRLXIDZHNXVIIT-HOCLYGCPSA-N 0 0 388.489 3.090 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncnn1-c1ccccc1 ZINC000279049555 1435455468 /nfs/dbraw/zinc/45/54/68/1435455468.db2.gz PDKXCEABAADMHE-UHFFFAOYSA-N 0 0 392.507 3.454 20 10 GGCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000279148682 1435465339 /nfs/dbraw/zinc/46/53/39/1435465339.db2.gz YMBJEWCWRSXLTO-UHFFFAOYSA-N 0 0 386.883 3.239 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(CO)c(F)c2)cc1 ZINC000279185814 1435468749 /nfs/dbraw/zinc/46/87/49/1435468749.db2.gz IVLNATXTWFCEGR-FQEVSTJZSA-N 0 0 386.467 3.205 20 10 GGCDRN O=C(c1ccc(O[C@@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279489904 1435505142 /nfs/dbraw/zinc/50/51/42/1435505142.db2.gz OZSBWNDLFOWMDA-LEWJYISDSA-N 0 0 397.471 3.381 20 10 GGCDRN O=C(c1ccc(O[C@H]2CCOC2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279489919 1435505430 /nfs/dbraw/zinc/50/54/30/1435505430.db2.gz OZSBWNDLFOWMDA-SFTDATJTSA-N 0 0 397.471 3.381 20 10 GGCDRN Cc1ccc2c(c1)CC[C@H](C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)O2 ZINC000279709086 1435533338 /nfs/dbraw/zinc/53/33/38/1435533338.db2.gz AFNKPJIFOXFVEB-JOCHJYFZSA-N 0 0 398.478 3.105 20 10 GGCDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000279825814 1435547825 /nfs/dbraw/zinc/54/78/25/1435547825.db2.gz GKSOCNQWHAWATM-ZIAGYGMSSA-N 0 0 398.425 3.164 20 10 GGCDRN CC(=O)N1CCC[C@H](CNC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000279853446 1435552224 /nfs/dbraw/zinc/55/22/24/1435552224.db2.gz RZSFREYCZYHPBS-GOSISDBHSA-N 0 0 387.524 3.495 20 10 GGCDRN COC(=O)c1nc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)sc1C ZINC000279930191 1435565117 /nfs/dbraw/zinc/56/51/17/1435565117.db2.gz JBUXMVSTOJBDKM-STMXVASLSA-N 0 0 388.445 3.026 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccccc3N)cc2F)C[C@H](C)O1 ZINC000280030434 1435579663 /nfs/dbraw/zinc/57/96/63/1435579663.db2.gz YAUPMXDECFMARL-IYBDPMFKSA-N 0 0 385.483 3.271 20 10 GGCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000280160497 1435601487 /nfs/dbraw/zinc/60/14/87/1435601487.db2.gz OGFNMBUDTKDCHA-SOUVJXGZSA-N 0 0 380.435 3.378 20 10 GGCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1OC(C)C ZINC000280190883 1435606141 /nfs/dbraw/zinc/60/61/41/1435606141.db2.gz JNZNZJXMYDXURS-UHFFFAOYSA-N 0 0 393.487 3.413 20 10 GGCDRN C[C@@H]1CN(c2ccc(CN[C@@H](c3ncc[nH]3)c3cccnc3)cc2F)C[C@@H](C)O1 ZINC000280203824 1435608346 /nfs/dbraw/zinc/60/83/46/1435608346.db2.gz SYFWQRVFIIEOLE-WHSLLNHNSA-N 0 0 395.482 3.437 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnn1-c1ccccc1 ZINC000280284968 1435625971 /nfs/dbraw/zinc/62/59/71/1435625971.db2.gz GFDNRKRJCVZMHA-UHFFFAOYSA-N 0 0 390.487 3.011 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ncsc1C(F)(F)F ZINC000280311770 1435631950 /nfs/dbraw/zinc/63/19/50/1435631950.db2.gz HXYPSGFCXXDAHC-UHFFFAOYSA-N 0 0 399.438 3.301 20 10 GGCDRN Cc1nc2cc(C(=O)NCc3ccc(N4CCC(CO)CC4)cc3)ccc2o1 ZINC000280321313 1435635074 /nfs/dbraw/zinc/63/50/74/1435635074.db2.gz IPSYIRMSAHMSQO-UHFFFAOYSA-N 0 0 379.460 3.275 20 10 GGCDRN CN(C)c1ccc(CNc2ccc(CC(=O)NCCO)cc2)c(C(F)(F)F)c1 ZINC000280329568 1435636929 /nfs/dbraw/zinc/63/69/29/1435636929.db2.gz RNHYEQJYWIRKQK-UHFFFAOYSA-N 0 0 395.425 3.035 20 10 GGCDRN CCn1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C(F)(F)F)n1 ZINC000280493104 1435669208 /nfs/dbraw/zinc/66/92/08/1435669208.db2.gz BSJAMKVJZALJSA-UHFFFAOYSA-N 0 0 396.413 3.031 20 10 GGCDRN O=C(Cc1ncccc1F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000280499814 1435669891 /nfs/dbraw/zinc/66/98/91/1435669891.db2.gz WJBVBYDDTUPARQ-ZDUSSCGKSA-N 0 0 379.382 3.150 20 10 GGCDRN O=C(Cc1ncccc1F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000280499810 1435669901 /nfs/dbraw/zinc/66/99/01/1435669901.db2.gz WJBVBYDDTUPARQ-CYBMUJFWSA-N 0 0 379.382 3.150 20 10 GGCDRN COC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000280559007 1435680017 /nfs/dbraw/zinc/68/00/17/1435680017.db2.gz AEFXODMJAREXPA-UHFFFAOYSA-N 0 0 398.463 3.332 20 10 GGCDRN CCN(CC)C(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280583371 1435683374 /nfs/dbraw/zinc/68/33/74/1435683374.db2.gz PRAXRPRMKDSIHA-CQSZACIVSA-N 0 0 385.464 3.333 20 10 GGCDRN CN(C)c1ccc(CN(C)Cc2ncnn2CC(F)F)c(C(F)(F)F)c1 ZINC000280597852 1435685827 /nfs/dbraw/zinc/68/58/27/1435685827.db2.gz NUVLIVGSBNBLDY-UHFFFAOYSA-N 0 0 377.361 3.260 20 10 GGCDRN CN(C)C(=O)Nc1ccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000280638820 1435694724 /nfs/dbraw/zinc/69/47/24/1435694724.db2.gz YDRXANGNZNHVLL-UHFFFAOYSA-N 0 0 395.507 3.162 20 10 GGCDRN CN(C)C(=O)Nc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000280638765 1435695063 /nfs/dbraw/zinc/69/50/63/1435695063.db2.gz YDKKANNRETYTQS-UHFFFAOYSA-N 0 0 396.491 3.364 20 10 GGCDRN Cc1ccc(N2CCOCC2)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000280640531 1435695448 /nfs/dbraw/zinc/69/54/48/1435695448.db2.gz BDYGJMHXQACSFK-UHFFFAOYSA-N 0 0 386.471 3.358 20 10 GGCDRN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000280842322 1435729429 /nfs/dbraw/zinc/72/94/29/1435729429.db2.gz ZADRWDNZPGRSJG-JOWZZTKRSA-N 0 0 393.447 3.025 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)CCc3ccccc3C(N)=O)cc2)CC1 ZINC000280909414 1435740706 /nfs/dbraw/zinc/74/07/06/1435740706.db2.gz NJUYDQSHDSURSG-UHFFFAOYSA-N 0 0 379.504 3.271 20 10 GGCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000280952527 1435746756 /nfs/dbraw/zinc/74/67/56/1435746756.db2.gz HZBDPBZHHHBBBA-ZDUSSCGKSA-N 0 0 386.452 3.300 20 10 GGCDRN C[S@](=O)C1(CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCC1 ZINC000280965216 1435748870 /nfs/dbraw/zinc/74/88/70/1435748870.db2.gz LDTXHFWCMXRQFC-LJOLIVRLSA-N 0 0 398.488 3.458 20 10 GGCDRN COc1ccc(N(Cc2c(C)nn(CCS(C)(=O)=O)c2C)C(C)C)cc1F ZINC000280995216 1435752834 /nfs/dbraw/zinc/75/28/34/1435752834.db2.gz FHUFGPLNHMQGKV-UHFFFAOYSA-N 0 0 397.516 3.107 20 10 GGCDRN CCOc1cc2c(cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)OCCO2 ZINC000281052119 1435764030 /nfs/dbraw/zinc/76/40/30/1435764030.db2.gz OUBWUCJMRTYKHN-GFCCVEGCSA-N 0 0 388.420 3.020 20 10 GGCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1C(=O)NC(C)C ZINC000281056520 1435764568 /nfs/dbraw/zinc/76/45/68/1435764568.db2.gz BHRGIMBJDDDIIA-AWEZNQCLSA-N 0 0 385.464 3.297 20 10 GGCDRN CC(=O)OCCCc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000281126306 1435780457 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COCCOc1ccc(F)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000281463728 1435809995 /nfs/dbraw/zinc/80/99/95/1435809995.db2.gz RRJQDDJGRHKOAS-GFCCVEGCSA-N 0 0 378.400 3.015 20 10 GGCDRN CN(c1ccc(CNC(=O)NCC2([S@](C)=O)CC2)cc1)C1CCCCC1 ZINC000281624484 1435816114 /nfs/dbraw/zinc/81/61/14/1435816114.db2.gz HRRIOXYGQQIYRC-SANMLTNESA-N 0 0 377.554 3.166 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3cncs3)cc2F)C[C@H](C)O1 ZINC000281649039 1435817050 /nfs/dbraw/zinc/81/70/50/1435817050.db2.gz NGGYUEOOYYYTOD-MRPPWBEGSA-N 0 0 375.469 3.225 20 10 GGCDRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000281674891 1435818117 /nfs/dbraw/zinc/81/81/17/1435818117.db2.gz BXVKLIARPGHTNI-MNDMWVCDSA-N 0 0 390.480 3.264 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)NCc3ncnn3C(C)(C)C)cc2)CC1 ZINC000281812359 1435822830 /nfs/dbraw/zinc/82/28/30/1435822830.db2.gz GDBLTHAOTRLSND-UHFFFAOYSA-N 0 0 384.528 3.269 20 10 GGCDRN Cc1ncc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C2CC2)n1 ZINC000281813299 1435822908 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GGCDRN C[C@@H](O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1 ZINC000282901221 1435865246 /nfs/dbraw/zinc/86/52/46/1435865246.db2.gz CSYKATHEJLYHQR-RHSMWYFYSA-N 0 0 389.521 3.084 20 10 GGCDRN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000283016203 1435870497 /nfs/dbraw/zinc/87/04/97/1435870497.db2.gz PCUALTYXWYUPAH-OAHLLOKOSA-N 0 0 390.827 3.350 20 10 GGCDRN CN(Cc1ccncc1)C(=O)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000283024602 1435870957 /nfs/dbraw/zinc/87/09/57/1435870957.db2.gz BUOAWKIERBSVGI-UHFFFAOYSA-N 0 0 394.519 3.125 20 10 GGCDRN COCCOc1cncc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000283048318 1435872044 /nfs/dbraw/zinc/87/20/44/1435872044.db2.gz BOIDQCDDCOHYPL-UHFFFAOYSA-N 0 0 383.492 3.369 20 10 GGCDRN COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000283148935 1435876780 /nfs/dbraw/zinc/87/67/80/1435876780.db2.gz LVQZAKQHRLVJMZ-KRWDZBQOSA-N 0 0 387.528 3.166 20 10 GGCDRN CCCN(Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccccc1O ZINC000283222594 1435880037 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Cc1cc(=O)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1C1CC1 ZINC000283538691 1435894435 /nfs/dbraw/zinc/89/44/35/1435894435.db2.gz UGSQCNGEKCCLFI-GOSISDBHSA-N 0 0 382.460 3.019 20 10 GGCDRN Cc1cc(=O)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1C1CC1 ZINC000283538717 1435894491 /nfs/dbraw/zinc/89/44/91/1435894491.db2.gz UGSQCNGEKCCLFI-SFHVURJKSA-N 0 0 382.460 3.019 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000283680052 1435902294 /nfs/dbraw/zinc/90/22/94/1435902294.db2.gz RZDIHSACCRNOEF-UHFFFAOYSA-N 0 0 390.509 3.309 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000283763526 1435918810 /nfs/dbraw/zinc/91/88/10/1435918810.db2.gz NMPZFUSLYSQHIL-UHFFFAOYSA-N 0 0 390.505 3.308 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000283779564 1435921905 /nfs/dbraw/zinc/92/19/05/1435921905.db2.gz NJWGRZSNQPQZKV-UHFFFAOYSA-N 0 0 397.349 3.120 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nncn1-c1ccccc1 ZINC000283786778 1435923685 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CN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284036876 1435977450 /nfs/dbraw/zinc/97/74/50/1435977450.db2.gz LNAUFTOUBGZFHW-UHFFFAOYSA-N 0 0 391.924 3.277 20 10 GGCDRN CCN(CCc1cccs1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284147150 1435999126 /nfs/dbraw/zinc/99/91/26/1435999126.db2.gz QKWWJLZPLNDNAD-UHFFFAOYSA-N 0 0 385.533 3.056 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1cccc(F)c1 ZINC000284165571 1436000939 /nfs/dbraw/zinc/00/09/39/1436000939.db2.gz VSPVLCQZOYHJBU-UHFFFAOYSA-N 0 0 383.467 3.091 20 10 GGCDRN COCc1ncsc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000284194550 1436003250 /nfs/dbraw/zinc/00/32/50/1436003250.db2.gz BVVULLKIMHASNZ-GFCCVEGCSA-N 0 0 397.447 3.290 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(OC(F)F)cc1 ZINC000284224067 1436005326 /nfs/dbraw/zinc/00/53/26/1436005326.db2.gz PZTHMBJXEXZJCK-UHFFFAOYSA-N 0 0 392.402 3.049 20 10 GGCDRN CCCNc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000284271281 1436008717 /nfs/dbraw/zinc/00/87/17/1436008717.db2.gz SLJOECDHVWWBRD-UHFFFAOYSA-N 0 0 394.519 3.041 20 10 GGCDRN Cc1ccc(C[C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000284331918 1436013939 /nfs/dbraw/zinc/01/39/39/1436013939.db2.gz XBZFFXWDKJCCFX-HNNXBMFYSA-N 0 0 385.533 3.020 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000284348022 1436014848 /nfs/dbraw/zinc/01/48/48/1436014848.db2.gz MTKVOKOJIZBBOR-QFIPXVFZSA-N 0 0 392.499 3.272 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000284440045 1436022022 /nfs/dbraw/zinc/02/20/22/1436022022.db2.gz UQCFJJLDTGXNCV-IBGZPJMESA-N 0 0 396.462 3.163 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000284636494 1436036430 /nfs/dbraw/zinc/03/64/30/1436036430.db2.gz WRGWMWIQMBSHIT-OAQYLSRUSA-N 0 0 378.472 3.242 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824616895 1441973324 /nfs/dbraw/zinc/97/33/24/1441973324.db2.gz ANVRJLQMZRCMII-HNNXBMFYSA-N 0 0 380.521 3.271 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820413235 1446923693 /nfs/dbraw/zinc/92/36/93/1446923693.db2.gz PGSXJNTUBXVXTQ-LSDHHAIUSA-N 0 0 396.470 3.254 20 10 GGCDRN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000824293564 1447231780 /nfs/dbraw/zinc/23/17/80/1447231780.db2.gz RSZXCNSIDJQIFW-UHFFFAOYSA-N 0 0 392.507 3.114 20 10 GGCDRN Cc1ccc(F)c(NC(=S)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000826289782 947842796 /nfs/dbraw/zinc/84/27/96/947842796.db2.gz NAHSQRIAWZJIQO-UHFFFAOYSA-N 0 0 377.836 3.281 20 10 GGCDRN CC(C)(C)c1ncc(C=CC(=O)N2CCc3c2cccc3-c2nn[nH]n2)s1 ZINC001573885824 950840955 /nfs/dbraw/zinc/84/09/55/950840955.db2.gz VEXWYRIXLQNVGF-FPLPWBNLSA-N 0 0 380.477 3.223 20 10 GGCDRN CN(C)c1ccc(C[NH2+]C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(C(F)(F)F)c1 ZINC001604091351 972493056 /nfs/dbraw/zinc/49/30/56/972493056.db2.gz ZUDPIUBJOYXMFO-NSWWBONSSA-N 0 0 386.414 3.273 20 10 GGCDRN O=C(C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001574527254 961889238 /nfs/dbraw/zinc/88/92/38/961889238.db2.gz PLAALHUUARKLFX-BTYIYWSLSA-N 0 0 394.431 3.074 20 10 GGCDRN COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1Cn1cccn1 ZINC001574214498 962938308 /nfs/dbraw/zinc/93/83/08/962938308.db2.gz XTYNJCWPNMRQIL-WOJBJXKFSA-N 0 0 377.444 3.343 20 10 GGCDRN O=C([O-])[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892875 972696452 /nfs/dbraw/zinc/69/64/52/972696452.db2.gz JQEGIZQGNKZUEH-WMZOPIPTSA-N 0 0 394.899 3.017 20 10 GGCDRN COc1cc(C[NH2+]C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(O)c(C(C)(C)C)c1 ZINC001604709494 973911568 /nfs/dbraw/zinc/91/15/68/973911568.db2.gz RULOKRRQUUKNDO-FAGJFJLWSA-N 0 0 377.481 3.200 20 10 GGCDRN CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC000736272107 978316032 /nfs/dbraw/zinc/31/60/32/978316032.db2.gz CHLFZKAWCPPFCW-ZDUSSCGKSA-N 0 0 398.887 3.189 20 10 GGCDRN O=C([O-])/C=C\c1ccc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000844208059 979357913 /nfs/dbraw/zinc/35/79/13/979357913.db2.gz NEDJZHFJBTXBCM-XQRVVYSFSA-N 0 0 387.461 3.119 20 10 GGCDRN COc1cc(Br)cc(C[NH2+]C[C@](C)(C(=O)[O-])c2ccccc2)c1O ZINC000844940711 979403940 /nfs/dbraw/zinc/40/39/40/979403940.db2.gz XXJVCHZAJGFOOB-SFHVURJKSA-N 0 0 394.265 3.295 20 10 GGCDRN O=C([O-])CC[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000901680789 980444307 /nfs/dbraw/zinc/44/43/07/980444307.db2.gz GHCPWSSEDGIBCS-QGZVFWFLSA-N 0 0 391.468 3.041 20 10 GGCDRN CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000902031064 980701349 /nfs/dbraw/zinc/70/13/49/980701349.db2.gz HEZAZCKEPLTUEH-IRLDBZIGSA-N 0 0 380.488 3.313 20 10 GGCDRN CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000902031062 980701452 /nfs/dbraw/zinc/70/14/52/980701452.db2.gz HEZAZCKEPLTUEH-IFMALSPDSA-N 0 0 380.488 3.313 20 10 GGCDRN CN(C)c1ccc([C@@H](C[NH2+]Cc2ccc(C(=O)[O-])c(Cl)c2)N(C)C)cc1 ZINC000905809525 981161780 /nfs/dbraw/zinc/16/17/80/981161780.db2.gz BTHDFDWMFJTNJB-LJQANCHMSA-N 0 0 375.900 3.497 20 10 GGCDRN CN(C)c1ccc([C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000910395809 981917209 /nfs/dbraw/zinc/91/72/09/981917209.db2.gz TZANYULDCBRLCZ-LJQANCHMSA-N 0 0 386.452 3.003 20 10 GGCDRN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368959 982387040 /nfs/dbraw/zinc/38/70/40/982387040.db2.gz IOAXXPONZSGEBO-YESZJQIVSA-N 0 0 394.899 3.017 20 10 GGCDRN CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cccc(CC(=O)[O-])c3)c2)CC1 ZINC000911553453 982495609 /nfs/dbraw/zinc/49/56/09/982495609.db2.gz YPMQJDHWIXFWQM-UHFFFAOYSA-N 0 0 381.476 3.096 20 10 GGCDRN CCN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC001596194918 983578196 /nfs/dbraw/zinc/57/81/96/983578196.db2.gz XNEQFWDHPLKIET-GOSISDBHSA-N 0 0 391.512 3.039 20 10 GGCDRN CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)c(O)c1 ZINC001597101531 986718504 /nfs/dbraw/zinc/71/85/04/986718504.db2.gz XOJVRSVMPZRLOH-INIZCTEOSA-N 0 0 380.238 3.469 20 10 GGCDRN CCOc1ccc(O)c(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001597130208 986844901 /nfs/dbraw/zinc/84/49/01/986844901.db2.gz MLTWHTOJRHXHDD-MRXNPFEDSA-N 0 0 380.238 3.469 20 10 GGCDRN CCOc1ccc(O)c(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001597130207 986845552 /nfs/dbraw/zinc/84/55/52/986845552.db2.gz MLTWHTOJRHXHDD-INIZCTEOSA-N 0 0 380.238 3.469 20 10 GGCDRN CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC12CC(C(=O)[O-])C2 ZINC001589867601 988490454 /nfs/dbraw/zinc/49/04/54/988490454.db2.gz YNPFVVRAEAYONG-LXDLAPCHSA-N 0 0 395.883 3.300 20 10 GGCDRN CC(C)(C)OCCC[NH+]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001590381527 989894346 /nfs/dbraw/zinc/89/43/46/989894346.db2.gz BSIXVINTNDRXET-SOFGYWHQSA-N 0 0 391.468 3.020 20 10 GGCDRN CN(C)c1ccc([C@H](C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)N(C)C)cc1 ZINC001598313651 991290921 /nfs/dbraw/zinc/29/09/21/991290921.db2.gz TZZBEAMXMFPGLN-IBGZPJMESA-N 0 0 375.900 3.497 20 10 GGCDRN CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314415 991296865 /nfs/dbraw/zinc/29/68/65/991296865.db2.gz RQPYKKKUHIZVCO-WUUFJKRQSA-N 0 0 379.460 3.007 20 10 GGCDRN COc1ccc(N2CC[C@H]([NH2+]Cc3oc(Br)cc3C(=O)[O-])C2)cc1 ZINC001599585611 993609316 /nfs/dbraw/zinc/60/93/16/993609316.db2.gz GRMCCKRATJWOPZ-NSHDSACASA-N 0 0 395.253 3.117 20 10 GGCDRN COc1ccc(O)c(C[N@H+](CC(=O)[O-])Cc2cccc(Br)c2)c1 ZINC001599598733 993785163 /nfs/dbraw/zinc/78/51/63/993785163.db2.gz RKXAYRICYSMBST-UHFFFAOYSA-N 0 0 380.238 3.250 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593204371 994200766 /nfs/dbraw/zinc/20/07/66/994200766.db2.gz QMHOTCGFNSMKMF-DLBZAZTESA-N 0 0 384.476 3.398 20 10 GGCDRN C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211181 994262087 /nfs/dbraw/zinc/26/20/87/994262087.db2.gz VPJCXOWENXHDRF-QMTHXVAHSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211183 994262992 /nfs/dbraw/zinc/26/29/92/994262992.db2.gz VPJCXOWENXHDRF-YGRLFVJLSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])ccc1O ZINC001593230024 994356794 /nfs/dbraw/zinc/35/67/94/994356794.db2.gz AUVDYMPHAHSZQR-HWPZZCPQSA-N 0 0 392.814 3.339 20 10 GGCDRN C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593245686 994438129 /nfs/dbraw/zinc/43/81/29/994438129.db2.gz AMBYDZPRHMIZDY-RISCZKNCSA-N 0 0 399.365 3.200 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593246429 994451293 /nfs/dbraw/zinc/45/12/93/994451293.db2.gz LGNMTOASAOFHHX-QLJPJBMISA-N 0 0 380.238 3.237 20 10 GGCDRN C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(C(=O)[O-])ccc1O ZINC001593250852 994489418 /nfs/dbraw/zinc/48/94/18/994489418.db2.gz AMKDWXQZWDBMBM-CQSZACIVSA-N 0 0 399.443 3.218 20 10 GGCDRN C[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593271705 994607134 /nfs/dbraw/zinc/60/71/34/994607134.db2.gz LPCCECRUFNFUAR-NSHDSACASA-N 0 0 396.365 3.190 20 10 GGCDRN C[C@@H]([NH2+]CCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC001593272634 994612410 /nfs/dbraw/zinc/61/24/10/994612410.db2.gz SNDRUVVFIYPQQR-VZCJILNPSA-N 0 0 396.487 3.351 20 10 GGCDRN C[C@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC001593289418 994663814 /nfs/dbraw/zinc/66/38/14/994663814.db2.gz SOQBLNQOSRMLRI-INIZCTEOSA-N 0 0 383.492 3.210 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593305157 994760485 /nfs/dbraw/zinc/76/04/85/994760485.db2.gz XKCDGIXJISVBST-ORAYPTAESA-N 0 0 384.432 3.059 20 10 GGCDRN COc1cc(C)cc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1O ZINC001599392586 997065935 /nfs/dbraw/zinc/06/59/35/997065935.db2.gz OIFUXHLIIIITDX-OAHLLOKOSA-N 0 0 399.365 3.393 20 10 GGCDRN COc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c(O)c(C(C)(C)C)c1 ZINC001599414707 997485311 /nfs/dbraw/zinc/48/53/11/997485311.db2.gz NLFXKSIELUTGQU-GOSISDBHSA-N 0 0 389.448 3.328 20 10 GGCDRN COC(=O)c1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC001598929118 997709065 /nfs/dbraw/zinc/70/90/65/997709065.db2.gz DNPHNNFTAROAQN-UHFFFAOYSA-N 0 0 382.460 3.402 20 10 GGCDRN COc1c(O)c(CN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)ccc1[N+](=O)[O-] ZINC001599344080 997970027 /nfs/dbraw/zinc/97/00/27/997970027.db2.gz AYFDZPOMJGATIQ-LBPRGKRZSA-N 0 0 393.421 3.109 20 10 GGCDRN COc1c(O)c(C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC001599345778 998003673 /nfs/dbraw/zinc/00/36/73/998003673.db2.gz PHBSUSMDLDXLPY-QGZVFWFLSA-N 0 0 382.372 3.378 20 10 GGCDRN COc1c(O)c(C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC001599345777 998003941 /nfs/dbraw/zinc/00/39/41/998003941.db2.gz PHBSUSMDLDXLPY-KRWDZBQOSA-N 0 0 382.372 3.378 20 10 GGCDRN COc1cc(Br)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1O ZINC001599346145 998009063 /nfs/dbraw/zinc/00/90/63/998009063.db2.gz GFRBTQBGUQTYGZ-OAHLLOKOSA-N 0 0 380.238 3.421 20 10 GGCDRN COc1cc(O)c(C[NH+]2CCC(Cc3ncc(C(=O)[O-])s3)CC2)cc1OC ZINC001599446243 998014293 /nfs/dbraw/zinc/01/42/93/998014293.db2.gz QEVDPZQQWHCGNO-UHFFFAOYSA-N 0 0 392.477 3.019 20 10 GGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC001599446489 998018011 /nfs/dbraw/zinc/01/80/11/998018011.db2.gz WOFQVSAHKWIINH-GFCCVEGCSA-N 0 0 378.450 3.210 20 10 GGCDRN COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c(C)c1OC ZINC001599558468 998140613 /nfs/dbraw/zinc/14/06/13/998140613.db2.gz CKIPMGIRBVRDJK-UHFFFAOYSA-N 0 0 379.840 3.458 20 10 GGCDRN O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000277275904 1126078636 /nfs/dbraw/zinc/07/86/36/1126078636.db2.gz LRLVMFKDZRHWPE-IBGZPJMESA-N 0 0 382.460 3.191 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2Br)C(=O)[O-])cc1 ZINC000841816830 1126112023 /nfs/dbraw/zinc/11/20/23/1126112023.db2.gz LLMJLAIIGFMJIS-QGZVFWFLSA-N 0 0 377.282 3.301 20 10 GGCDRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000756382949 1126108255 /nfs/dbraw/zinc/10/82/55/1126108255.db2.gz LDMPGXJIJDZWOM-GOSISDBHSA-N 0 0 392.858 3.101 20 10 GGCDRN O=C([O-])[C@H](Cc1c[nH]c2cccnc12)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000904062682 1126132430 /nfs/dbraw/zinc/13/24/30/1126132430.db2.gz JTWMKGZUTFHVJR-FQEVSTJZSA-N 0 0 378.476 3.339 20 10 GGCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cnn(Cc2ccccc2)c1 ZINC000096919843 203834326 /nfs/dbraw/zinc/83/43/26/203834326.db2.gz UAMWEJBCUOOIIM-LICLKQGHSA-N 0 0 399.410 3.494 20 10 GGCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccc(OC)cc3OC)C2)cc1 ZINC000003050975 203983604 /nfs/dbraw/zinc/98/36/04/203983604.db2.gz PLUYJPLWISWPBS-OAHLLOKOSA-N 0 0 385.464 3.360 20 10 aggregator GGCDRN CCC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000003444254 204008245 /nfs/dbraw/zinc/00/82/45/204008245.db2.gz YHDYGEAFBZIJKY-UHFFFAOYSA-N 0 0 382.460 3.016 20 10 GGCDRN O=C(COC(=O)c1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000006790629 204205742 /nfs/dbraw/zinc/20/57/42/204205742.db2.gz QSUAGYRYGJOPNS-UHFFFAOYSA-N 0 0 385.375 3.258 20 10 GGCDRN Cc1cc(C(=O)COC(=O)c2cnccn2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000007148666 204235505 /nfs/dbraw/zinc/23/55/05/204235505.db2.gz QPUSQOQKVWREEA-UHFFFAOYSA-N 0 0 375.428 3.413 20 10 GGCDRN CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OCC ZINC000007907989 204253343 /nfs/dbraw/zinc/25/33/43/204253343.db2.gz WLMXGZFYYQITEQ-UHFFFAOYSA-N 0 0 392.521 3.371 20 10 GGCDRN Cc1cc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000008159929 204264055 /nfs/dbraw/zinc/26/40/55/204264055.db2.gz OAIDBRXQKLBWFI-KRWDZBQOSA-N 0 0 397.504 3.235 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000010962218 204340447 /nfs/dbraw/zinc/34/04/47/204340447.db2.gz BGLUJUZSINDYSM-UHFFFAOYSA-N 0 0 386.517 3.353 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000012565199 204424278 /nfs/dbraw/zinc/42/42/78/204424278.db2.gz OPSXHUHIFJGDTL-UHFFFAOYSA-N 0 0 390.487 3.045 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000039532785 205042347 /nfs/dbraw/zinc/04/23/47/205042347.db2.gz LUJRVSRNPPTEHM-UHFFFAOYSA-N 0 0 392.503 3.128 20 10 GGCDRN Cc1ccn2c(c1)nc(COC(=O)c1sc3nc(C)cc(C)c3c1N)cc2=O ZINC000040033882 205047705 /nfs/dbraw/zinc/04/77/05/205047705.db2.gz ZTLFKTNZMRTDAH-UHFFFAOYSA-N 0 0 394.456 3.169 20 10 GGCDRN O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000045392213 205095222 /nfs/dbraw/zinc/09/52/22/205095222.db2.gz IWPZDSJPEQRQCK-UHFFFAOYSA-N 0 0 382.485 3.052 20 10 GGCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3nc(-c4ccccc4)no3)cc2)C1 ZINC000058393408 136155344 /nfs/dbraw/zinc/15/53/44/136155344.db2.gz MMKVWTPVLGVPHL-KRWDZBQOSA-N 0 0 377.448 3.050 20 10 GGCDRN Cc1noc2ncc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc12 ZINC000058426342 136155565 /nfs/dbraw/zinc/15/55/65/136155565.db2.gz FAKYBLANEWRRLU-CHWSQXEVSA-N 0 0 398.438 3.214 20 10 GGCDRN Cc1noc2ncc(C(=O)NCc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)cc12 ZINC000058426339 136155608 /nfs/dbraw/zinc/15/56/08/136155608.db2.gz FAKYBLANEWRRLU-BETUJISGSA-N 0 0 398.438 3.214 20 10 GGCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@H](C)O1 ZINC000070019529 136165201 /nfs/dbraw/zinc/16/52/01/136165201.db2.gz BHEGEMKHFBEAKT-STQMWFEESA-N 0 0 377.847 3.418 20 10 GGCDRN COc1ccc(N2CCN(CCNC(=O)Nc3cccc(C)c3C)CC2)cc1 ZINC000058021496 536699246 /nfs/dbraw/zinc/69/92/46/536699246.db2.gz PLLPGCRTOWFFNJ-UHFFFAOYSA-N 0 0 382.508 3.256 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000002628279 564188583 /nfs/dbraw/zinc/18/85/83/564188583.db2.gz LRLUMBWCVHWZIW-UHFFFAOYSA-N 0 0 389.293 3.349 20 10 GGCDRN O=S(=O)(Nc1cc2c(cc1Cl)OCCCO2)c1cccc2nsnc21 ZINC000019100055 564302531 /nfs/dbraw/zinc/30/25/31/564302531.db2.gz XTPFGPNFDQIBLM-UHFFFAOYSA-N 0 0 397.865 3.307 20 10 GGCDRN COC(=O)c1sc(NCc2ccc(N3CCOCC3)c(F)c2)nc1Cl ZINC000053574075 564591566 /nfs/dbraw/zinc/59/15/66/564591566.db2.gz TXPQMJFKBKQNGB-UHFFFAOYSA-N 0 0 385.848 3.171 20 10 GGCDRN Cc1cc(Br)oc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054283987 564602129 /nfs/dbraw/zinc/60/21/29/564602129.db2.gz LDXPEYNPBHODJR-UHFFFAOYSA-N 0 0 379.254 3.117 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1sccc1Br ZINC000054284026 564602618 /nfs/dbraw/zinc/60/26/18/564602618.db2.gz ITRLIUIYIUYJJB-UHFFFAOYSA-N 0 0 381.295 3.277 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1sccc1Br ZINC000055524414 564622476 /nfs/dbraw/zinc/62/24/76/564622476.db2.gz CERYNFRKHPGXQV-UHFFFAOYSA-N 0 0 399.285 3.416 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)cc1C ZINC000055668418 564628142 /nfs/dbraw/zinc/62/81/42/564628142.db2.gz BIILHHJWUZYUAK-UHFFFAOYSA-N 0 0 386.470 3.005 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cncc(Br)c3)CC2)cc1 ZINC000055877555 564634590 /nfs/dbraw/zinc/63/45/90/564634590.db2.gz DBCPQKMNIRHZEL-UHFFFAOYSA-N 0 0 390.281 3.205 20 10 GGCDRN COCCCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000069366430 564838760 /nfs/dbraw/zinc/83/87/60/564838760.db2.gz GFPFKIIVHNUVRF-OWBHPGMISA-N 0 0 398.575 3.224 20 10 GGCDRN Cc1[nH]c(=S)sc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000136040663 564844774 /nfs/dbraw/zinc/84/47/74/564844774.db2.gz SPBKBIFEZYBILM-UHFFFAOYSA-N 0 0 377.535 3.152 20 10 GGCDRN COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000092362001 564877430 /nfs/dbraw/zinc/87/74/30/564877430.db2.gz VDVDPNMOMZHVKG-UHFFFAOYSA-N 0 0 375.296 3.064 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2cc(Br)cn2C)cc1 ZINC000150770697 564890025 /nfs/dbraw/zinc/89/00/25/564890025.db2.gz JNGMYTFTNXFCQJ-UHFFFAOYSA-N 0 0 379.302 3.195 20 10 GGCDRN Nc1ccc(CC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000153736385 565007906 /nfs/dbraw/zinc/00/79/06/565007906.db2.gz YIXJQYICUXCLJX-QGZVFWFLSA-N 0 0 375.266 3.174 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)c1nc(C2CC2)ncc1Br ZINC000291903266 565085276 /nfs/dbraw/zinc/08/52/76/565085276.db2.gz ZTDQDSLEILMHPX-UHFFFAOYSA-N 0 0 399.292 3.423 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(F)cccc1Br ZINC000267193089 565109339 /nfs/dbraw/zinc/10/93/39/565109339.db2.gz LOCGNQVMJKFJEW-UHFFFAOYSA-N 0 0 393.256 3.355 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ncn(C(C)(C)C)n1 ZINC000292305305 565109873 /nfs/dbraw/zinc/10/98/73/565109873.db2.gz ZAFMCFLHEVOJFI-UHFFFAOYSA-N 0 0 381.274 3.164 20 10 GGCDRN CS(=O)(=O)N1CCc2c1cccc2NCc1cc(Br)ccc1O ZINC000184230414 565121482 /nfs/dbraw/zinc/12/14/82/565121482.db2.gz ATMLKVFKBBVQKX-UHFFFAOYSA-N 0 0 397.294 3.089 20 10 GGCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000370157552 565131095 /nfs/dbraw/zinc/13/10/95/565131095.db2.gz APFGQHSTIAALPY-UHFFFAOYSA-N 0 0 378.475 3.190 20 10 GGCDRN COC(=O)c1sc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc1Cl ZINC000267861630 565132962 /nfs/dbraw/zinc/13/29/62/565132962.db2.gz IYVVLWMDUUKBKK-UHFFFAOYSA-N 0 0 385.848 3.057 20 10 GGCDRN COCCOCc1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000292849569 565137849 /nfs/dbraw/zinc/13/78/49/565137849.db2.gz BTGJCQQFKVQBLX-UHFFFAOYSA-N 0 0 394.265 3.248 20 10 GGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000268303323 565147406 /nfs/dbraw/zinc/14/74/06/565147406.db2.gz HQKTXIYAKMJPIW-JTQLQIEISA-N 0 0 399.563 3.207 20 10 GGCDRN Cc1ccc(NC(=O)CSc2ncc(C(C)(C)C)s2)cc1S(N)(=O)=O ZINC000268317503 565148179 /nfs/dbraw/zinc/14/81/79/565148179.db2.gz MAWRAAQZSLNHRR-UHFFFAOYSA-N 0 0 399.563 3.127 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1snnc1C ZINC000293244402 565158251 /nfs/dbraw/zinc/15/82/51/565158251.db2.gz FJQHVKQXLMNDCK-UHFFFAOYSA-N 0 0 385.287 3.046 20 10 GGCDRN C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1[O-] ZINC000184877964 565162237 /nfs/dbraw/zinc/16/22/37/565162237.db2.gz OIPBKGLGOJLDII-SNVBAGLBSA-N 0 0 383.265 3.463 20 10 GGCDRN COc1ccc(CCC(=O)NCCc2ccc(O)c(O)c2)cc1Br ZINC000269253281 565182585 /nfs/dbraw/zinc/18/25/85/565182585.db2.gz XWDOHRSLMHOEQF-UHFFFAOYSA-N 0 0 394.265 3.160 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293944364 565191700 /nfs/dbraw/zinc/19/17/00/565191700.db2.gz IGYCKGVIRHPPOZ-LLVKDONJSA-N 0 0 379.092 3.264 20 10 GGCDRN COc1cccc(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)c1O ZINC000269518442 565193045 /nfs/dbraw/zinc/19/30/45/565193045.db2.gz YEXADNHAXQBTNQ-UHFFFAOYSA-N 0 0 385.869 3.090 20 10 GGCDRN COc1cc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)cc1OC ZINC000294390227 565210465 /nfs/dbraw/zinc/21/04/65/565210465.db2.gz LOBIJXDTTZNMNT-UHFFFAOYSA-N 0 0 393.281 3.462 20 10 GGCDRN COC(=O)c1cnc(Sc2nn3c(nnc3C(F)(F)F)c(C)c2C)s1 ZINC000294881091 565233055 /nfs/dbraw/zinc/23/30/55/565233055.db2.gz FFFAKFYJLIAPIA-UHFFFAOYSA-N 0 0 389.384 3.154 20 10 GGCDRN C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082534 565238079 /nfs/dbraw/zinc/23/80/79/565238079.db2.gz OARXYDFCKJUCDY-ZWNOBZJWSA-N 0 0 383.279 3.279 20 10 GGCDRN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083723 565238277 /nfs/dbraw/zinc/23/82/77/565238277.db2.gz VCODXTAQFUWDHU-ZWNOBZJWSA-N 0 0 383.279 3.197 20 10 GGCDRN COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000186128501 565242530 /nfs/dbraw/zinc/24/25/30/565242530.db2.gz ZEJOVTAXVOFKPA-NSHDSACASA-N 0 0 375.296 3.377 20 10 GGCDRN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)cc(Br)c1[O-] ZINC000186220475 565247459 /nfs/dbraw/zinc/24/74/59/565247459.db2.gz FUDZIMRZMVODFK-SSDOTTSWSA-N 0 0 394.107 3.079 20 10 GGCDRN C[C@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1O ZINC000186262150 565251032 /nfs/dbraw/zinc/25/10/32/565251032.db2.gz PVZSZXOEAGAAOE-LBPRGKRZSA-N 0 0 390.281 3.264 20 10 GGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000295268528 565256978 /nfs/dbraw/zinc/25/69/78/565256978.db2.gz JHCQDFHCAOPGTF-VIFPVBQESA-N 0 0 382.463 3.066 20 10 GGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2OC)s1 ZINC000295359002 565261447 /nfs/dbraw/zinc/26/14/47/565261447.db2.gz RIFBZXKEPFIROU-SECBINFHSA-N 0 0 382.463 3.066 20 10 GGCDRN COC[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000271731536 565265743 /nfs/dbraw/zinc/26/57/43/565265743.db2.gz NCLOGCXLLQIOKL-VIFPVBQESA-N 0 0 379.092 3.386 20 10 GGCDRN C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000271785373 565268554 /nfs/dbraw/zinc/26/85/54/565268554.db2.gz FOTDERLKXTXPGV-IUCAKERBSA-N 0 0 379.092 3.432 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373467898 565287374 /nfs/dbraw/zinc/28/73/74/565287374.db2.gz SYZIMRBTGCGARK-SECBINFHSA-N 0 0 391.103 3.386 20 10 GGCDRN Cn1cc(/C=C2/c3cc(Br)cnc3N(C)C2=O)c(-c2cccnc2)n1 ZINC000373548886 565291192 /nfs/dbraw/zinc/29/11/92/565291192.db2.gz PSRQGAHMJLHSTP-UUASQNMZSA-N 0 0 396.248 3.157 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000187018581 565302569 /nfs/dbraw/zinc/30/25/69/565302569.db2.gz IUDQRCNIRFVLHO-HNNXBMFYSA-N 0 0 378.222 3.074 20 10 GGCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1O ZINC000374256908 565328135 /nfs/dbraw/zinc/32/81/35/565328135.db2.gz BLKRZKPUROVBBF-CQSZACIVSA-N 0 0 396.285 3.077 20 10 GGCDRN Cc1cccnc1CCCNC(=O)NCc1cccc(Br)c1O ZINC000296881805 565343638 /nfs/dbraw/zinc/34/36/38/565343638.db2.gz WMVHXGQENXEBQE-UHFFFAOYSA-N 0 0 378.270 3.290 20 10 GGCDRN Cc1csc([C@@H](NC(=O)NCCc2ccc(O)c(O)c2)C(F)(F)F)n1 ZINC000296896109 565344355 /nfs/dbraw/zinc/34/43/55/565344355.db2.gz HGCCUURJMDZVIY-GFCCVEGCSA-N 0 0 375.372 3.008 20 10 GGCDRN C[C@@H]1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CCS(=O)(=O)C1 ZINC000297016170 565350499 /nfs/dbraw/zinc/35/04/99/565350499.db2.gz WXEPHRMMENYKFR-MRXNPFEDSA-N 0 0 378.563 3.251 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000297827588 565387742 /nfs/dbraw/zinc/38/77/42/565387742.db2.gz MBLXEJUYEGJVFC-UHFFFAOYSA-N 0 0 379.913 3.085 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cnccc1OC ZINC000297931629 565392815 /nfs/dbraw/zinc/39/28/15/565392815.db2.gz JOLQWEUOKHJQJF-UHFFFAOYSA-N 0 0 394.269 3.290 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000188520573 565406711 /nfs/dbraw/zinc/40/67/11/565406711.db2.gz JWXVRDCFULOANZ-IUODEOHRSA-N 0 0 385.302 3.237 20 10 GGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000375846893 565408883 /nfs/dbraw/zinc/40/88/83/565408883.db2.gz KRTWBMDPUQDKIC-YMNVWFMLSA-N 0 0 386.279 3.070 20 10 GGCDRN CSc1nnc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000275577654 565419116 /nfs/dbraw/zinc/41/91/16/565419116.db2.gz BRBYAQWLRZKIOA-UHFFFAOYSA-N 0 0 377.539 3.200 20 10 GGCDRN COC[C@H](C)N(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298679255 565425011 /nfs/dbraw/zinc/42/50/11/565425011.db2.gz AOGFHIJSKSCMQJ-GVIGZQTCSA-N 0 0 398.575 3.223 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000377047823 565464282 /nfs/dbraw/zinc/46/42/82/565464282.db2.gz QKMZRNJYPQTGKB-OAHLLOKOSA-N 0 0 396.212 3.213 20 10 GGCDRN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000377651380 565491354 /nfs/dbraw/zinc/49/13/54/565491354.db2.gz ZPUCLTGFMPIJCT-ZDUSSCGKSA-N 0 0 380.275 3.166 20 10 GGCDRN CCc1nn(C)c(CC)c1CNC(=O)NCc1cccc(Br)c1O ZINC000277477410 565500271 /nfs/dbraw/zinc/50/02/71/565500271.db2.gz PLHXZFOHJAZNDW-UHFFFAOYSA-N 0 0 395.301 3.012 20 10 GGCDRN Cc1csc([C@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000277504073 565502144 /nfs/dbraw/zinc/50/21/44/565502144.db2.gz VTDNYBSESZHJCO-SNVBAGLBSA-N 0 0 379.869 3.378 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncc(Br)cn2)cc1 ZINC000301822656 565511687 /nfs/dbraw/zinc/51/16/87/565511687.db2.gz HJDRQJVMUIEBCH-QGZVFWFLSA-N 0 0 391.313 3.491 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)c1ncc(C(N)=O)cc1Cl ZINC000301872302 565515429 /nfs/dbraw/zinc/51/54/29/565515429.db2.gz KSARCQQXJLYQHB-UHFFFAOYSA-N 0 0 384.661 3.329 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCOC2(CCCC2)C1 ZINC000277795651 565520692 /nfs/dbraw/zinc/52/06/92/565520692.db2.gz SURPWGURWZNHEN-ZDUSSCGKSA-N 0 0 383.286 3.446 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccccc1Br ZINC000173190561 565534673 /nfs/dbraw/zinc/53/46/73/565534673.db2.gz WMKIMWMPYIOTQY-UHFFFAOYSA-N 0 0 375.266 3.483 20 10 GGCDRN CCn1cc(Br)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173199847 565536170 /nfs/dbraw/zinc/53/61/70/565536170.db2.gz GRKDIQMYTWTDNG-UHFFFAOYSA-N 0 0 378.270 3.376 20 10 GGCDRN C[C@@H](Nc1ncnc2c1c(Br)nn2C)c1ccc(N(C)C)cc1 ZINC000302457352 565542233 /nfs/dbraw/zinc/54/22/33/565542233.db2.gz UQJTWDJUJJCHJI-SNVBAGLBSA-N 0 0 375.274 3.365 20 10 GGCDRN COc1c(O)c(CN(C)Cc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278166229 565543094 /nfs/dbraw/zinc/54/30/94/565543094.db2.gz FHZRANPSZPZXLB-UHFFFAOYSA-N 0 0 377.344 3.416 20 10 GGCDRN CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])c1 ZINC000278206749 565545344 /nfs/dbraw/zinc/54/53/44/565545344.db2.gz HEPXJUHCZIZWJK-JTQLQIEISA-N 0 0 389.304 3.458 20 10 GGCDRN COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000278409518 565556321 /nfs/dbraw/zinc/55/63/21/565556321.db2.gz PTLYNLPBNXSDTH-GFCCVEGCSA-N 0 0 394.265 3.385 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000278419936 565557632 /nfs/dbraw/zinc/55/76/32/565557632.db2.gz MZQQOQIJJHTORU-HNNXBMFYSA-N 0 0 380.535 3.195 20 10 GGCDRN CS(=O)(=O)c1ccc2ncnc(NCCCSc3nccs3)c2c1 ZINC000302914409 565563143 /nfs/dbraw/zinc/56/31/43/565563143.db2.gz VCGFGDUFNXSOHZ-UHFFFAOYSA-N 0 0 380.520 3.084 20 10 GGCDRN OC1CCN(c2ccc(CNCc3ccc(Br)o3)cc2F)CC1 ZINC000190857348 565564415 /nfs/dbraw/zinc/56/44/15/565564415.db2.gz IUNPRZVVCBGEIZ-UHFFFAOYSA-N 0 0 383.261 3.432 20 10 GGCDRN Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1cccc(Br)c1O ZINC000278930397 565584880 /nfs/dbraw/zinc/58/48/80/565584880.db2.gz HYZQEVOIUBOWMN-CYBMUJFWSA-N 0 0 395.257 3.061 20 10 GGCDRN C[C@H](O)CCCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000279083895 565594642 /nfs/dbraw/zinc/59/46/42/565594642.db2.gz HOZZUOAKZYJBJG-PBBNAPBQSA-N 0 0 398.575 3.007 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccccc1Br ZINC000174062581 565610727 /nfs/dbraw/zinc/61/07/27/565610727.db2.gz QGNXHONVYHKNKM-UHFFFAOYSA-N 0 0 397.294 3.103 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000279713974 565629326 /nfs/dbraw/zinc/62/93/26/565629326.db2.gz TZWLUZJGAUROJW-GFCCVEGCSA-N 0 0 377.286 3.471 20 10 GGCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC(F)F ZINC000174539384 565641536 /nfs/dbraw/zinc/64/15/36/565641536.db2.gz DGIPKXQSMWNYIV-YFHOEESVSA-N 0 0 376.475 3.111 20 10 GGCDRN CCS(=O)(=O)C1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280655282 565687356 /nfs/dbraw/zinc/68/73/56/565687356.db2.gz SMKYUGXCOZKKBJ-UHFFFAOYSA-N 0 0 378.460 3.171 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000175567058 565709554 /nfs/dbraw/zinc/70/95/54/565709554.db2.gz LLIUKXUPLZAETD-GFCCVEGCSA-N 0 0 387.318 3.483 20 10 GGCDRN C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192788860 565709625 /nfs/dbraw/zinc/70/96/25/565709625.db2.gz ZHCNLDWQNZRIFI-SNVBAGLBSA-N 0 0 381.325 3.021 20 10 GGCDRN Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010717 565724965 /nfs/dbraw/zinc/72/49/65/565724965.db2.gz LVKZIUFXBUJCSL-YGRLFVJLSA-N 0 0 383.279 3.197 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3ccoc3Br)CC2)cc1 ZINC000193441332 565751918 /nfs/dbraw/zinc/75/19/18/565751918.db2.gz MYUBBKROABBCHU-UHFFFAOYSA-N 0 0 379.254 3.403 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3ccoc3Br)CC2)cc1F ZINC000193684358 565769428 /nfs/dbraw/zinc/76/94/28/565769428.db2.gz RBNJILDDFLGWNP-UHFFFAOYSA-N 0 0 383.217 3.152 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000282536820 565783318 /nfs/dbraw/zinc/78/33/18/565783318.db2.gz ZGUHWSQELZWHCG-NSHDSACASA-N 0 0 391.265 3.034 20 10 GGCDRN Cc1nc(Br)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000194001359 565789882 /nfs/dbraw/zinc/78/98/82/565789882.db2.gz LQLNRWJGDBEFTJ-VIFPVBQESA-N 0 0 380.242 3.316 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCC12CCOCC2 ZINC000282926212 565802804 /nfs/dbraw/zinc/80/28/04/565802804.db2.gz SXIJRWPQECLFJM-CQSZACIVSA-N 0 0 383.286 3.303 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3occc3Br)CC2)cc1 ZINC000176803119 565805423 /nfs/dbraw/zinc/80/54/23/565805423.db2.gz GLYBRMIUANRQDO-UHFFFAOYSA-N 0 0 379.254 3.403 20 10 GGCDRN C[C@H](C[S@](C)=O)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000283515198 565820506 /nfs/dbraw/zinc/82/05/06/565820506.db2.gz MSNUGRMCIDGQSC-IEBYYPBYSA-N 0 0 385.961 3.143 20 10 GGCDRN CCOC1CC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])(N2CCOCC2)C1 ZINC000195459503 565884467 /nfs/dbraw/zinc/88/44/67/565884467.db2.gz OHLIQEXJSPMOFG-UHFFFAOYSA-N 0 0 389.323 3.059 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cscc1Br ZINC000285200323 565893684 /nfs/dbraw/zinc/89/36/84/565893684.db2.gz UWEMJNBVBAMKDS-UHFFFAOYSA-N 0 0 381.295 3.277 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCCN1CCOCC1 ZINC000178720720 565934213 /nfs/dbraw/zinc/93/42/13/565934213.db2.gz JUABWMUXYKQLMS-UHFFFAOYSA-N 0 0 399.329 3.006 20 10 GGCDRN Nc1ccc(CC(=O)N2CCO[C@H](c3ccccc3Br)C2)cc1 ZINC000237894875 565973660 /nfs/dbraw/zinc/97/36/60/565973660.db2.gz GZJUJBYFJIYVRL-KRWDZBQOSA-N 0 0 375.266 3.174 20 10 GGCDRN Nc1ccc(CC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000237904812 565974385 /nfs/dbraw/zinc/97/43/85/565974385.db2.gz DTHAMOQVRALIQU-OAHLLOKOSA-N 0 0 388.309 3.217 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000287262604 566008265 /nfs/dbraw/zinc/00/82/65/566008265.db2.gz SIRHOXKHDWAVSW-UHFFFAOYSA-N 0 0 381.881 3.257 20 10 GGCDRN O=C(c1cncc(Br)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000247856339 566068615 /nfs/dbraw/zinc/06/86/15/566068615.db2.gz JZKOWRZFGIVCKP-MRXNPFEDSA-N 0 0 391.265 3.371 20 10 GGCDRN CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000181189938 566122720 /nfs/dbraw/zinc/12/27/20/566122720.db2.gz MCBVPCUBJPENDA-UHFFFAOYSA-N 0 0 382.913 3.412 20 10 GGCDRN CO[C@@H](C)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000263749660 566195755 /nfs/dbraw/zinc/19/57/55/566195755.db2.gz FGGLAQRABYVXPE-PBBNAPBQSA-N 0 0 398.575 3.271 20 10 GGCDRN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)C(F)(F)F ZINC000291451399 566220762 /nfs/dbraw/zinc/22/07/62/566220762.db2.gz CNEIGMOLJHCARQ-JTQLQIEISA-N 0 0 395.219 3.045 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000368152503 566231388 /nfs/dbraw/zinc/23/13/88/566231388.db2.gz RWTAWTBPWULNTQ-CYBMUJFWSA-N 0 0 392.297 3.271 20 10 GGCDRN CC[C@@H](COC)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000265638174 566240101 /nfs/dbraw/zinc/24/01/01/566240101.db2.gz HNJNMVMKXZNVHW-GVIGZQTCSA-N 0 0 398.575 3.271 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCc2nc(C(F)(F)F)cs2)cc1F ZINC000265960968 566244071 /nfs/dbraw/zinc/24/40/71/566244071.db2.gz XNWNPWHBSLJKRX-UHFFFAOYSA-N 0 0 376.379 3.366 20 10 GGCDRN CC(C)c1cccc(N(CCO)S(=O)(=O)c2cccc3nsnc32)c1 ZINC000650214715 566439801 /nfs/dbraw/zinc/43/98/01/566439801.db2.gz DWOMCSNWTMASAE-UHFFFAOYSA-N 0 0 377.491 3.002 20 10 GGCDRN O=S(=O)(c1cccc2nsnc21)N1CCc2ccc(Br)cc21 ZINC000602063676 566444747 /nfs/dbraw/zinc/44/47/47/566444747.db2.gz PELXNVHYFKTTPQ-UHFFFAOYSA-N 0 0 396.291 3.205 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451010463 566734435 /nfs/dbraw/zinc/73/44/35/566734435.db2.gz UKHASYWWHJIZBV-UHFFFAOYSA-N 0 0 384.860 3.274 20 10 GGCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CCc3ccc(Br)cc32)cn1 ZINC000426854616 566734977 /nfs/dbraw/zinc/73/49/77/566734977.db2.gz ULNRNLBRUHGWKU-UHFFFAOYSA-N 0 0 386.253 3.259 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000656730858 566941373 /nfs/dbraw/zinc/94/13/73/566941373.db2.gz GGFTYSVMFUJFLS-UHFFFAOYSA-N 0 0 384.860 3.274 20 10 GGCDRN Cc1nc(-c2ccc(NC(=O)C3=S=C(S(N)(=O)=O)C=C3)cc2)oc1C ZINC000591149705 567266829 /nfs/dbraw/zinc/26/68/29/567266829.db2.gz PZOQHFBQGJDVEB-UHFFFAOYSA-N 0 0 377.447 3.022 20 10 GGCDRN COC[C@]1([NH2+]Cc2cccc(Br)c2[O-])COc2ccccc2C1 ZINC000527802224 567375356 /nfs/dbraw/zinc/37/53/56/567375356.db2.gz WIRNAWHYLOXLQP-SFHVURJKSA-N 0 0 378.266 3.265 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000570189137 567464559 /nfs/dbraw/zinc/46/45/59/567464559.db2.gz IILKPUOQBPYERK-UHFFFAOYSA-N 0 0 388.823 3.272 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCc1cccc(Cl)c1 ZINC000507984479 567721581 /nfs/dbraw/zinc/72/15/81/567721581.db2.gz GCEWWEVDAHYYLW-UHFFFAOYSA-N 0 0 380.897 3.177 20 10 GGCDRN Cn1cc(-c2ncccc2C(=O)N2CCc3ccc(Br)cc32)cn1 ZINC000646810868 567744290 /nfs/dbraw/zinc/74/42/90/567744290.db2.gz CGQPJFRFPJEHFM-UHFFFAOYSA-N 0 0 383.249 3.448 20 10 GGCDRN CCOC(=O)c1sc2nc(NC(=O)C3=S=CC(COC)=C3)sc2c1C ZINC000598845394 567794306 /nfs/dbraw/zinc/79/43/06/567794306.db2.gz ORKXVETUCVWJOD-UHFFFAOYSA-N 0 0 396.515 3.076 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000048146202 570219393 /nfs/dbraw/zinc/21/93/93/570219393.db2.gz CWNFLPZGTKIPFW-UHFFFAOYSA-N 0 0 392.565 3.383 20 10 GGCDRN Cc1noc(C)c1CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000048356187 570242351 /nfs/dbraw/zinc/24/23/51/570242351.db2.gz GQDSXVFWVNQZHP-KBPBESRZSA-N 0 0 389.471 3.293 20 10 GGCDRN COc1ccc(N2CCN(C(=O)COc3cccc4ccc(C)nc43)CC2)cc1 ZINC000021585638 570292706 /nfs/dbraw/zinc/29/27/06/570292706.db2.gz ARBDJZAPTDEGLY-UHFFFAOYSA-N 0 0 391.471 3.279 20 10 GGCDRN COc1ccc(N2CCN(Cc3cccc(C(=O)NCC(C)C)c3)CC2)cc1 ZINC000034684232 570301485 /nfs/dbraw/zinc/30/14/85/570301485.db2.gz FFJQPBAJSDRDFF-UHFFFAOYSA-N 0 0 381.520 3.403 20 10 biogenic GGCDRN CC(C)(C)c1cc(CN2CCN(S(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000028787260 570464192 /nfs/dbraw/zinc/46/41/92/570464192.db2.gz PGXRPPWEXXRVGS-UHFFFAOYSA-N 0 0 382.570 3.064 20 10 GGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000851118 570663268 /nfs/dbraw/zinc/66/32/68/570663268.db2.gz VFMOZGCPYRHWGL-WJDWOHSUSA-N 0 0 385.401 3.157 20 10 GGCDRN C[C@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccc(N2CCOCC2)cc1 ZINC000065598042 570838551 /nfs/dbraw/zinc/83/85/51/570838551.db2.gz PSVGKASMAMISKC-AWEZNQCLSA-N 0 0 384.867 3.315 20 10 GGCDRN CCCc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000012639558 570932681 /nfs/dbraw/zinc/93/26/81/570932681.db2.gz QITWFMLKPLAIHM-UHFFFAOYSA-N 0 0 388.533 3.296 20 10 GGCDRN Cc1cc(C(=O)N(C)CCCOC(C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227059 598950676 /nfs/dbraw/zinc/95/06/76/598950676.db2.gz HRXLIVJEZMDAPQ-UHFFFAOYSA-N 0 0 396.495 3.161 20 10 GGCDRN CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)cc2)CC1 ZINC000736278556 598503132 /nfs/dbraw/zinc/50/31/32/598503132.db2.gz GZVMGLVRNARHQK-UHFFFAOYSA-N 0 0 394.439 3.018 20 10 GGCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)cc2)SC(=S)N1CCc1cccs1 ZINC000738288719 598530673 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3.193 20 10 GGCDRN CSCc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000067561221 1409163869 /nfs/dbraw/zinc/16/38/69/1409163869.db2.gz DXFZUQQMZZPWCS-UHFFFAOYSA-N 0 0 383.517 3.187 20 10 GGCDRN CCO[C@@H]1CCCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC000067604292 1409184098 /nfs/dbraw/zinc/18/40/98/1409184098.db2.gz UTSNKBTZYUADON-JFIYKMOQSA-N 0 0 393.503 3.150 20 10 GGCDRN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000067603005 1409184248 /nfs/dbraw/zinc/18/42/48/1409184248.db2.gz DCOPXUNRAVHMCR-NRFANRHFSA-N 0 0 397.519 3.143 20 10 GGCDRN C[C@H](COCC(F)(F)F)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000067710780 1409213162 /nfs/dbraw/zinc/21/31/62/1409213162.db2.gz SJSKGZQJDATTPZ-HIFRSBDPSA-N 0 0 390.402 3.050 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000067753193 1409222277 /nfs/dbraw/zinc/22/22/77/1409222277.db2.gz RUHXRFKBMLDXBN-UHFFFAOYSA-N 0 0 394.450 3.373 20 10 GGCDRN CCc1nc(CN(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000067754882 1409222512 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CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000068414103 1409395642 /nfs/dbraw/zinc/39/56/42/1409395642.db2.gz HDGXQFQFLLFPTQ-SFHVURJKSA-N 0 0 389.565 3.241 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)CCc3c(C)noc3Cl)CC2)cc1 ZINC000068432543 1409401462 /nfs/dbraw/zinc/40/14/62/1409401462.db2.gz LGHSUAGPYNMRIU-UHFFFAOYSA-N 0 0 377.872 3.317 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)c3cc4c([nH]c3=O)CCCC4)cc2)CC1 ZINC000068447585 1409405090 /nfs/dbraw/zinc/40/50/90/1409405090.db2.gz XDRKYGXGAKTITD-UHFFFAOYSA-N 0 0 379.504 3.420 20 10 GGCDRN C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068462773 1409410221 /nfs/dbraw/zinc/41/02/21/1409410221.db2.gz SUSLGCYFATZQDD-QGZVFWFLSA-N 0 0 395.507 3.401 20 10 GGCDRN Cc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068462448 1409410234 /nfs/dbraw/zinc/41/02/34/1409410234.db2.gz JYCQQGAGICIJRG-OAHLLOKOSA-N 0 0 378.469 3.010 20 10 GGCDRN COCc1ccccc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068479579 1409412714 /nfs/dbraw/zinc/41/27/14/1409412714.db2.gz RMMIZPVBBDOFFH-QGZVFWFLSA-N 0 0 383.492 3.230 20 10 GGCDRN C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000068479771 1409412883 /nfs/dbraw/zinc/41/28/83/1409412883.db2.gz ZHMZPAHSOFRTNT-IBGZPJMESA-N 0 0 394.519 3.116 20 10 GGCDRN C[C@@H](NC(=O)NC[C@H]1COc2ccccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000068479491 1409412969 /nfs/dbraw/zinc/41/29/69/1409412969.db2.gz QSNLUQJGUYVBTJ-MSOLQXFVSA-N 0 0 395.503 3.135 20 10 GGCDRN COc1cc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1C ZINC000068480017 1409413400 /nfs/dbraw/zinc/41/34/00/1409413400.db2.gz IXYGWGFRKZNSFG-KRWDZBQOSA-N 0 0 383.492 3.401 20 10 GGCDRN CC(=O)Nc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068480348 1409413434 /nfs/dbraw/zinc/41/34/34/1409413434.db2.gz SBVKOKWHNHIUCS-INIZCTEOSA-N 0 0 396.491 3.042 20 10 GGCDRN C[C@H](NC(=O)NCCCOc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068480401 1409413461 /nfs/dbraw/zinc/41/34/61/1409413461.db2.gz FVXXKMUTVFGNFV-SFHVURJKSA-N 0 0 383.492 3.353 20 10 GGCDRN C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)N(C)c1ccccc1 ZINC000068480236 1409413521 /nfs/dbraw/zinc/41/35/21/1409413521.db2.gz ZXJBHROLOZPXMN-RTBURBONSA-N 0 0 396.535 3.408 20 10 GGCDRN Cc1ccccc1OCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068480045 1409413526 /nfs/dbraw/zinc/41/35/26/1409413526.db2.gz HDZOSFFXAWBEPT-SFHVURJKSA-N 0 0 383.492 3.271 20 10 GGCDRN C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068480281 1409413588 /nfs/dbraw/zinc/41/35/88/1409413588.db2.gz LUCMUVLDZCETSP-KRWDZBQOSA-N 0 0 378.476 3.297 20 10 GGCDRN Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)on1 ZINC000068480095 1409413623 /nfs/dbraw/zinc/41/36/23/1409413623.db2.gz JAJSDLNIQBHTHJ-APWZRJJASA-N 0 0 384.480 3.427 20 10 GGCDRN CC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068482637 1409414869 /nfs/dbraw/zinc/41/48/69/1409414869.db2.gz DQZGMUMBGCPDKU-OAHLLOKOSA-N 0 0 382.464 3.364 20 10 GGCDRN C[C@@H](NC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000068483043 1409414917 /nfs/dbraw/zinc/41/49/17/1409414917.db2.gz RNCZOAZXJUCUKJ-MRXNPFEDSA-N 0 0 396.491 3.108 20 10 GGCDRN COc1cccc(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)c1O ZINC000068488914 1409417270 /nfs/dbraw/zinc/41/72/70/1409417270.db2.gz UTKVWCQFSHCJQH-HNNXBMFYSA-N 0 0 392.864 3.174 20 10 GGCDRN COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2Br)c1O ZINC000068489072 1409417360 /nfs/dbraw/zinc/41/73/60/1409417360.db2.gz HUWPDVNIHMYCER-SNVBAGLBSA-N 0 0 398.228 3.386 20 10 GGCDRN COc1cccc(CNC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1O ZINC000068488551 1409417387 /nfs/dbraw/zinc/41/73/87/1409417387.db2.gz MPBCABUQVIBDHV-UHFFFAOYSA-N 0 0 380.400 3.485 20 10 GGCDRN COc1cccc(CNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1O ZINC000068489286 1409417400 /nfs/dbraw/zinc/41/74/00/1409417400.db2.gz BFDQGOQQDDBVPB-UHFFFAOYSA-N 0 0 396.468 3.322 20 10 GGCDRN C[C@@H](NC(=O)c1cccnc1N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068512775 1409422612 /nfs/dbraw/zinc/42/26/12/1409422612.db2.gz YWINUMLRMDUZJL-QGZVFWFLSA-N 0 0 380.492 3.009 20 10 GGCDRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000068512858 1409422671 /nfs/dbraw/zinc/42/26/71/1409422671.db2.gz SSJNXTMGIHBZOY-MRXNPFEDSA-N 0 0 384.476 3.422 20 10 GGCDRN C[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000068512698 1409422732 /nfs/dbraw/zinc/42/27/32/1409422732.db2.gz QEJYKZUFQBJUOB-YWZLYKJASA-N 0 0 380.444 3.002 20 10 GGCDRN C[C@H](NC(=O)c1cccnc1N1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068512773 1409422752 /nfs/dbraw/zinc/42/27/52/1409422752.db2.gz YWINUMLRMDUZJL-KRWDZBQOSA-N 0 0 380.492 3.009 20 10 GGCDRN COc1cccc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1OC ZINC000068512940 1409422879 /nfs/dbraw/zinc/42/28/79/1409422879.db2.gz MUCJSUIHBWDSRB-QGZVFWFLSA-N 0 0 398.503 3.350 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCOC[C@H]3CCCO3)c2C)cc1 ZINC000068533510 1409430013 /nfs/dbraw/zinc/43/00/13/1409430013.db2.gz JMLCOCDLXXZTPZ-HXUWFJFHSA-N 0 0 386.492 3.418 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3C[C@H](C)OC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000068548411 1409434771 /nfs/dbraw/zinc/43/47/71/1409434771.db2.gz HSTCOQYULNQZKP-OAGGEKHMSA-N 0 0 393.503 3.148 20 10 GGCDRN COc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1O ZINC000068549135 1409435534 /nfs/dbraw/zinc/43/55/34/1409435534.db2.gz PQCSUNXKAWAVCE-INIZCTEOSA-N 0 0 399.491 3.140 20 10 GGCDRN CSc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068552731 1409436409 /nfs/dbraw/zinc/43/64/09/1409436409.db2.gz OHEXFHUJWKKVED-HNNXBMFYSA-N 0 0 399.516 3.061 20 10 GGCDRN CSc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068552793 1409437067 /nfs/dbraw/zinc/43/70/67/1409437067.db2.gz ZJLXNGHBZNAQEZ-HNNXBMFYSA-N 0 0 399.516 3.061 20 10 GGCDRN CCc1cccc(C)c1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068552792 1409437211 /nfs/dbraw/zinc/43/72/11/1409437211.db2.gz OEALCQVGRPMDRQ-KRWDZBQOSA-N 0 0 395.503 3.210 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCc1cccc2cccnc21 ZINC000068841656 1409505370 /nfs/dbraw/zinc/50/53/70/1409505370.db2.gz FNFHNVAFQSRNPQ-UHFFFAOYSA-N 0 0 394.450 3.210 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000069462866 1409639261 /nfs/dbraw/zinc/63/92/61/1409639261.db2.gz DQNMDICLQRWXFO-HXUWFJFHSA-N 0 0 399.466 3.328 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCc2cccc(CN3CCCC3=O)c2)cc1F ZINC000069720778 1409682326 /nfs/dbraw/zinc/68/23/26/1409682326.db2.gz AAFXDQSHRPPWAZ-UHFFFAOYSA-N 0 0 398.482 3.014 20 10 GGCDRN COCCCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000069729098 1409685161 /nfs/dbraw/zinc/68/51/61/1409685161.db2.gz SHFOLLREDVLBEB-IYBDPMFKSA-N 0 0 381.492 3.055 20 10 GGCDRN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000069787084 1409699491 /nfs/dbraw/zinc/69/94/91/1409699491.db2.gz PNFQSPMKGDZGBA-ZDUSSCGKSA-N 0 0 388.443 3.187 20 10 GGCDRN CCc1noc(-c2ccc(CCNC(=O)N(C)Cc3ccccc3O)cc2)n1 ZINC000069876574 1409720160 /nfs/dbraw/zinc/72/01/60/1409720160.db2.gz HFPNHTKAKFEZPN-UHFFFAOYSA-N 0 0 380.448 3.389 20 10 GGCDRN COc1ccccc1C(C)(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000069985329 1409735262 /nfs/dbraw/zinc/73/52/62/1409735262.db2.gz YNLIFEFBBYBSPG-UHFFFAOYSA-N 0 0 382.504 3.468 20 10 GGCDRN CC(C)N(C(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000070758210 1409768575 /nfs/dbraw/zinc/76/85/75/1409768575.db2.gz VMPNQLLHKJJMDR-UHFFFAOYSA-N 0 0 381.520 3.397 20 10 GGCDRN COc1ccc(C)cc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070975863 1409809470 /nfs/dbraw/zinc/80/94/70/1409809470.db2.gz XKSMTXFMBRIIDH-SFHVURJKSA-N 0 0 384.476 3.329 20 10 GGCDRN CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000071068242 1409819094 /nfs/dbraw/zinc/81/90/94/1409819094.db2.gz YTCOYFXUQUMSHQ-UHFFFAOYSA-N 0 0 385.439 3.080 20 10 GGCDRN CN(c1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1)C1CCCCC1 ZINC000072043661 1409840733 /nfs/dbraw/zinc/84/07/33/1409840733.db2.gz OUHPQHGGOKGJTI-UHFFFAOYSA-N 0 0 390.491 3.361 20 10 GGCDRN Cc1cc(C(=O)Cn2c(=O)onc2-c2ccccn2)c(C)n1-c1cccc(C)c1 ZINC000072057959 1409842983 /nfs/dbraw/zinc/84/29/83/1409842983.db2.gz NMJBUTVXVPKULG-UHFFFAOYSA-N 0 0 388.427 3.497 20 10 GGCDRN COc1ccccc1N1CC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000072062428 1409843585 /nfs/dbraw/zinc/84/35/85/1409843585.db2.gz VZBXQUDLVZNWNX-LJQANCHMSA-N 0 0 396.535 3.429 20 10 GGCDRN CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000073043906 1409857045 /nfs/dbraw/zinc/85/70/45/1409857045.db2.gz UKZSZGMUHWCGJX-ZWKOTPCHSA-N 0 0 375.513 3.042 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N3CCS[C@H](C(C)C)C3)CC2)cc1 ZINC000074060571 1409868449 /nfs/dbraw/zinc/86/84/49/1409868449.db2.gz NYCZDAQIXCGHEX-IBGZPJMESA-N 0 0 377.554 3.447 20 10 GGCDRN CCC(CC)N(CCOC)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000077006705 1409893151 /nfs/dbraw/zinc/89/31/51/1409893151.db2.gz RICVTAFOQYIYCS-QGZVFWFLSA-N 0 0 377.529 3.431 20 10 GGCDRN CCc1ccc([C@H]2COCCN2C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000077575341 1409897708 /nfs/dbraw/zinc/89/77/08/1409897708.db2.gz VBCBKHMQFIQGCA-GOSISDBHSA-N 0 0 375.444 3.330 20 10 GGCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000078352030 1409915123 /nfs/dbraw/zinc/91/51/23/1409915123.db2.gz OSENEYGOIBGKEM-SBKBGZGTSA-N 0 0 378.538 3.150 20 10 GGCDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000078352033 1409915295 /nfs/dbraw/zinc/91/52/95/1409915295.db2.gz OSENEYGOIBGKEM-YPUXHCPYSA-N 0 0 378.538 3.150 20 10 GGCDRN CC(=O)[C@H](C)S[C@H](C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000079001616 1409949264 /nfs/dbraw/zinc/94/92/64/1409949264.db2.gz QELLUTZSFVQSJA-QWHCGFSZSA-N 0 0 381.453 3.500 20 10 GGCDRN CCO[C@@H](CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000080715220 1410011503 /nfs/dbraw/zinc/01/15/03/1410011503.db2.gz OEKJEECXXIFOCK-FQEVSTJZSA-N 0 0 377.529 3.116 20 10 GGCDRN CCO[C@@H](CCNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000080714301 1410011624 /nfs/dbraw/zinc/01/16/24/1410011624.db2.gz ABDLMWQWYJDCIG-FQEVSTJZSA-N 0 0 377.529 3.368 20 10 GGCDRN CCOC(=O)C[C@H](C)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000089933235 1410058856 /nfs/dbraw/zinc/05/88/56/1410058856.db2.gz ZXBCUATVZZEPDR-KRWDZBQOSA-N 0 0 375.513 3.408 20 10 GGCDRN Cc1cc(C(=O)Nc2ccn(CCC(N)=O)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176764441 1428453100 /nfs/dbraw/zinc/45/31/00/1428453100.db2.gz PDRLHVPZSSSEMI-UHFFFAOYSA-N 0 0 379.464 3.035 20 10 GGCDRN Cc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C2CC2)cc1C ZINC000091730955 1410079202 /nfs/dbraw/zinc/07/92/02/1410079202.db2.gz VTSRRKHSZXNYJQ-UHFFFAOYSA-N 0 0 388.489 3.185 20 10 GGCDRN Cc1noc(C)c1CN1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000091890098 1410090844 /nfs/dbraw/zinc/09/08/44/1410090844.db2.gz HVPYDZAPORSGRF-UHFFFAOYSA-N 0 0 380.286 3.077 20 10 GGCDRN COc1ccc(C(=O)N2CCN(Cc3cc(Cl)ccc3O)CC2)c(OC)c1 ZINC000092168052 1410115768 /nfs/dbraw/zinc/11/57/68/1410115768.db2.gz APHNYNPLXZFADG-UHFFFAOYSA-N 0 0 390.867 3.021 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4c(c3)COC4)cc2)CC1 ZINC000092285770 1410133402 /nfs/dbraw/zinc/13/34/02/1410133402.db2.gz JMZJZVFFGZCJNQ-UHFFFAOYSA-N 0 0 393.487 3.208 20 10 GGCDRN C[N@@H+](Cc1cccc(Br)c1[O-])C[C@H](O)COCc1ccccc1 ZINC000092472407 1410159852 /nfs/dbraw/zinc/15/98/52/1410159852.db2.gz VNGXTHXHKOIHGZ-INIZCTEOSA-N 0 0 380.282 3.164 20 10 GGCDRN CCOc1cccc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)c1O ZINC000092589920 1410177971 /nfs/dbraw/zinc/17/79/71/1410177971.db2.gz HMLXUZSAPVAWBV-UHFFFAOYSA-N 0 0 376.403 3.027 20 10 GGCDRN CCOc1ccc(O)c(CN(C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000093004982 1410214125 /nfs/dbraw/zinc/21/41/25/1410214125.db2.gz IYVBUSBSSOYABK-UHFFFAOYSA-N 0 0 394.269 3.019 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000176801007 1428467561 /nfs/dbraw/zinc/46/75/61/1428467561.db2.gz IGPSARSLJPPGLB-UHFFFAOYSA-N 0 0 387.411 3.450 20 10 GGCDRN CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093712339 1410261115 /nfs/dbraw/zinc/26/11/15/1410261115.db2.gz DTQYELAKPRYDAT-AREMUKBSSA-N 0 0 376.497 3.032 20 10 GGCDRN Oc1ccc(Br)cc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000093842573 1410273643 /nfs/dbraw/zinc/27/36/43/1410273643.db2.gz ZXEOSOBMQUILAL-UHFFFAOYSA-N 0 0 385.265 3.429 20 10 GGCDRN CCc1nsc(N2CCC[N@H+](Cc3cccc(Br)c3[O-])CC2)n1 ZINC000093871573 1410278594 /nfs/dbraw/zinc/27/85/94/1410278594.db2.gz AANOKDXOZHPNEA-UHFFFAOYSA-N 0 0 397.342 3.281 20 10 GGCDRN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094017476 1410292947 /nfs/dbraw/zinc/29/29/47/1410292947.db2.gz BRKSWXNAGLFIRR-UHFFFAOYSA-N 0 0 388.489 3.480 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000094018708 1410293971 /nfs/dbraw/zinc/29/39/71/1410293971.db2.gz PYASWCYOCXERHM-MRXNPFEDSA-N 0 0 394.880 3.394 20 10 GGCDRN CCC1CCC(N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C2CC2)CC1 ZINC000094054699 1410298686 /nfs/dbraw/zinc/29/86/86/1410298686.db2.gz SKPVOQPHEYBVOO-UHFFFAOYSA-N 0 0 380.510 3.337 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000094059920 1410300128 /nfs/dbraw/zinc/30/01/28/1410300128.db2.gz IBUNFLPOZUIXME-UHFFFAOYSA-N 0 0 393.531 3.470 20 10 GGCDRN Cc1c(Br)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094091599 1410302409 /nfs/dbraw/zinc/30/24/09/1410302409.db2.gz GCYPZOSLMNXWHK-UHFFFAOYSA-N 0 0 399.266 3.087 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000094103651 1410304786 /nfs/dbraw/zinc/30/47/86/1410304786.db2.gz SFYIDTSWXCXFHK-UHFFFAOYSA-N 0 0 392.330 3.174 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccc(C=O)cc2)cc1 ZINC000096951711 1410339733 /nfs/dbraw/zinc/33/97/33/1410339733.db2.gz KHASTNNIYTVFEE-QFIPXVFZSA-N 0 0 396.487 3.152 20 10 GGCDRN Cc1cc(C(=O)CN(CC(N)=O)C(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000096966169 1410341077 /nfs/dbraw/zinc/34/10/77/1410341077.db2.gz OKPZPYPJDNUGAF-UHFFFAOYSA-N 0 0 395.425 3.491 20 10 GGCDRN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)n1-c1nccs1 ZINC000097152671 1410355047 /nfs/dbraw/zinc/35/50/47/1410355047.db2.gz ZZASNIQOPCKOKC-UHFFFAOYSA-N 0 0 396.516 3.317 20 10 GGCDRN COc1ccc([C@H](C)N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000097216650 1410359858 /nfs/dbraw/zinc/35/98/58/1410359858.db2.gz MKUUBAPLBVFATI-KRWDZBQOSA-N 0 0 383.492 3.434 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CC1(Cl)Cl ZINC000097428362 1410369245 /nfs/dbraw/zinc/36/92/45/1410369245.db2.gz LIKVXDKTZKCRDA-ZDUSSCGKSA-N 0 0 397.224 3.352 20 10 GGCDRN Cc1cc(/C=C/C(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000097551755 1410376846 /nfs/dbraw/zinc/37/68/46/1410376846.db2.gz YUNSBFKBVAXUEU-JXMROGBWSA-N 0 0 380.492 3.029 20 10 GGCDRN CN(c1ccc(CNC(=O)c2ccc3c(c2)C(=O)NC3=O)cc1)C1CCCCC1 ZINC000097552251 1410377061 /nfs/dbraw/zinc/37/70/61/1410377061.db2.gz HXIMRRSPRCVINP-UHFFFAOYSA-N 0 0 391.471 3.269 20 10 GGCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC000097681125 1410387928 /nfs/dbraw/zinc/38/79/28/1410387928.db2.gz FOWAPUZYFOFQNH-UHFFFAOYSA-N 0 0 398.406 3.193 20 10 GGCDRN CC(C)Oc1nn(CN(C)Cc2ccc(N3CCOCC3)cc2)c(=S)s1 ZINC000098051274 1410403074 /nfs/dbraw/zinc/40/30/74/1410403074.db2.gz SCPLLRCZBNTXIE-UHFFFAOYSA-N 0 0 394.566 3.387 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2O)cc1 ZINC000098071454 1410406899 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Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1[N+](=O)[O-] ZINC000098093866 1410411406 /nfs/dbraw/zinc/41/14/06/1410411406.db2.gz VNSGEFNHGQHZCK-UHFFFAOYSA-N 0 0 383.448 3.042 20 10 GGCDRN O=C(CCC(=O)c1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093721 1410411705 /nfs/dbraw/zinc/41/17/05/1410411705.db2.gz IMGZYMATBFPCTJ-UHFFFAOYSA-N 0 0 380.488 3.175 20 10 GGCDRN CCSc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccn1 ZINC000098094028 1410412328 /nfs/dbraw/zinc/41/23/28/1410412328.db2.gz TXFCOZUBJUYKMA-UHFFFAOYSA-N 0 0 385.533 3.332 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000098093955 1410412361 /nfs/dbraw/zinc/41/23/61/1410412361.db2.gz XUDSVAQAXDXYSP-FCHUYYIVSA-N 0 0 382.479 3.454 20 10 GGCDRN CC(=O)Nc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1C ZINC000098093894 1410412392 /nfs/dbraw/zinc/41/23/92/1410412392.db2.gz PSHNBJFJPZPFCA-UHFFFAOYSA-N 0 0 395.503 3.092 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000098093954 1410412452 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CCOc1cccc([C@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000101991171 1410537921 /nfs/dbraw/zinc/53/79/21/1410537921.db2.gz SXNJIMAUHTUYIY-KRWDZBQOSA-N 0 0 383.492 3.482 20 10 GGCDRN C[C@H](NC(=O)NCCCOC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000102001494 1410541103 /nfs/dbraw/zinc/54/11/03/1410541103.db2.gz QQQLDZZKJNAEON-KRWDZBQOSA-N 0 0 375.513 3.233 20 10 GGCDRN CN(C)c1ccc(CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000102027569 1410546447 /nfs/dbraw/zinc/54/64/47/1410546447.db2.gz USDKJKFHKUGIMS-NRFANRHFSA-N 0 0 397.519 3.392 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000102086121 1410556027 /nfs/dbraw/zinc/55/60/27/1410556027.db2.gz HEGCCVCDCFJMRB-UHFFFAOYSA-N 0 0 388.423 3.220 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)c1 ZINC000176839211 1428494622 /nfs/dbraw/zinc/49/46/22/1428494622.db2.gz XBZVSPFSJKANDX-MRVPVSSYSA-N 0 0 384.766 3.148 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)CSCc3c(C)noc3C)CC2)cc1 ZINC000102382172 1410615786 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COc1ccc(N2CCC(NC(=O)C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000102592068 1410665352 /nfs/dbraw/zinc/66/53/52/1410665352.db2.gz NQPZHXLMOLXKJH-UHFFFAOYSA-N 0 0 395.503 3.344 20 10 GGCDRN COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)n1 ZINC000102817176 1410781174 /nfs/dbraw/zinc/78/11/74/1410781174.db2.gz QQLKTSUCIQAUSV-UHFFFAOYSA-N 0 0 384.461 3.077 20 10 GGCDRN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000102885339 1410804080 /nfs/dbraw/zinc/80/40/80/1410804080.db2.gz RJPLOHPKAKLJRO-QGZVFWFLSA-N 0 0 396.487 3.067 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCOc2ccccc21 ZINC000102895488 1410804995 /nfs/dbraw/zinc/80/49/95/1410804995.db2.gz JSHXNTVZVHNBKK-OAQYLSRUSA-N 0 0 380.488 3.078 20 10 GGCDRN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)S(=O)(=O)C1CCCCC1 ZINC000102979143 1410816104 /nfs/dbraw/zinc/81/61/04/1410816104.db2.gz GPDNRNXVGHXCBM-IBGZPJMESA-N 0 0 380.554 3.141 20 10 GGCDRN COc1ccccc1[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000102994551 1410817911 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COc1ccc(N2CCC(NC(=O)N3CCOC[C@@H]3c3ccc(C)o3)CC2)cc1 ZINC000117043685 1412985114 /nfs/dbraw/zinc/98/51/14/1412985114.db2.gz XOGWQUPDCSXQHL-HXUWFJFHSA-N 0 0 399.491 3.349 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000117056861 1412987506 /nfs/dbraw/zinc/98/75/06/1412987506.db2.gz LDMPXZWZTUIFLR-OAHLLOKOSA-N 0 0 391.418 3.414 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)NCc3ccc(N(C)C)cc3)cn2)CC1 ZINC000117172899 1413008761 /nfs/dbraw/zinc/00/87/61/1413008761.db2.gz JKIPTGCCJYHRMC-UHFFFAOYSA-N 0 0 381.524 3.383 20 10 GGCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000117481888 1413041343 /nfs/dbraw/zinc/04/13/43/1413041343.db2.gz PMUYLPZUVLWNGR-RDJZCZTQSA-N 0 0 395.544 3.260 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@](C)(O)C2)c(C)n1-c1cccc(Br)c1 ZINC000177338559 1428698314 /nfs/dbraw/zinc/69/83/14/1428698314.db2.gz FLHWMUBKFOHOMH-SFHVURJKSA-N 0 0 377.282 3.454 20 10 GGCDRN O=C(c1cccc(-n2cccn2)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117974662 1413093394 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CCS(=O)(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000118561133 1413180193 /nfs/dbraw/zinc/18/01/93/1413180193.db2.gz JRAYOPVIGCKLDV-UHFFFAOYSA-N 0 0 379.457 3.007 20 10 GGCDRN Cc1cc(C(=O)N2CCC(CN3CCCCC3=O)CC2)c(C)n1-c1ccccn1 ZINC000118675940 1413203874 /nfs/dbraw/zinc/20/38/74/1413203874.db2.gz BIUAZKIZSHTLAD-UHFFFAOYSA-N 0 0 394.519 3.354 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC000118982895 1413288889 /nfs/dbraw/zinc/28/88/89/1413288889.db2.gz QNNOXJFDLXVXPX-UHFFFAOYSA-N 0 0 378.394 3.440 20 10 GGCDRN CCc1ncc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000119028649 1413309676 /nfs/dbraw/zinc/30/96/76/1413309676.db2.gz IBDYIKMQKRKRMZ-UHFFFAOYSA-N 0 0 391.422 3.431 20 10 GGCDRN COc1cc(N(C)Cc2nc(=O)c3c(C)c(C)sc3[nH]2)cc(OC)c1OC ZINC000119080104 1413328506 /nfs/dbraw/zinc/32/85/06/1413328506.db2.gz ILYWFVHCBRYKDJ-UHFFFAOYSA-N 0 0 389.477 3.264 20 10 GGCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1 ZINC000119103395 1413337214 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Nc1c(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000138223125 1417407615 /nfs/dbraw/zinc/40/76/15/1417407615.db2.gz HSOCPVHMXDEGRG-UHFFFAOYSA-N 0 0 380.275 3.342 20 10 GGCDRN C[C@H]1OCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]1C ZINC000138560388 1417425024 /nfs/dbraw/zinc/42/50/24/1417425024.db2.gz XGOBYPWRKQBKNC-UONOGXRCSA-N 0 0 383.439 3.076 20 10 GGCDRN COc1ccc(N2CC[NH+](CCCNC(=O)N3CCC[C@H]3C(C)C)CC2)cc1 ZINC000138895706 1417440863 /nfs/dbraw/zinc/44/08/63/1417440863.db2.gz XWQHCRSWCWPRIR-NRFANRHFSA-N 0 0 388.556 3.037 20 10 GGCDRN COc1ccc(CNC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000140019176 1417485085 /nfs/dbraw/zinc/48/50/85/1417485085.db2.gz NFYNZSCTELLEBK-INIZCTEOSA-N 0 0 385.533 3.257 20 10 GGCDRN COc1ccc(N(C)Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cc1OC ZINC000140369246 1417499959 /nfs/dbraw/zinc/49/99/59/1417499959.db2.gz UMJHYYOBMDADCP-UHFFFAOYSA-N 0 0 393.369 3.335 20 10 GGCDRN C[C@H](Nc1cc(C(F)(F)F)nc2ncnn21)c1ccc(N2CCOCC2)cc1 ZINC000140402087 1417502421 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Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cccc(N3CCC(C)CC3)c2)c1 ZINC000153608201 1422646794 /nfs/dbraw/zinc/64/67/94/1422646794.db2.gz BMHKABFRASCTKU-UHFFFAOYSA-N 0 0 387.505 3.131 20 10 GGCDRN C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(N2CCCCC2)cc1 ZINC000179801527 1429575527 /nfs/dbraw/zinc/57/55/27/1429575527.db2.gz FJQMHRIUDTYHNE-QGZVFWFLSA-N 0 0 394.519 3.455 20 10 GGCDRN CCS[C@@H](C)c1noc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000153676265 1422698102 /nfs/dbraw/zinc/69/81/02/1422698102.db2.gz OHAGKIHUTCNJPN-ZDUSSCGKSA-N 0 0 377.514 3.291 20 10 GGCDRN Cc1cc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)c(C)n1-c1ccccn1 ZINC000153714558 1422717478 /nfs/dbraw/zinc/71/74/78/1422717478.db2.gz WIGMQNNCOURGOD-INIZCTEOSA-N 0 0 379.439 3.032 20 10 GGCDRN CCc1c(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)cnn1CC(C)C ZINC000153737863 1422730523 /nfs/dbraw/zinc/73/05/23/1422730523.db2.gz SESOJSPHKKILFN-UHFFFAOYSA-N 0 0 399.539 3.155 20 10 GGCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000153754000 1422739530 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GGCDRN CN(C)c1nc2cc(NC(=O)N3CCOc4cc(N(C)C)ccc43)ccc2o1 ZINC000183236520 1430656152 /nfs/dbraw/zinc/65/61/52/1430656152.db2.gz JXXDAMCGQUZZOG-UHFFFAOYSA-N 0 0 381.436 3.391 20 10 GGCDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183424830 1430708185 /nfs/dbraw/zinc/70/81/85/1430708185.db2.gz FGVYYNIGQUQMMC-GFCCVEGCSA-N 0 0 383.423 3.400 20 10 GGCDRN Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1C(C)C ZINC000183434548 1430710876 /nfs/dbraw/zinc/71/08/76/1430710876.db2.gz DQPGCHHYLVIENB-CQSZACIVSA-N 0 0 394.475 3.471 20 10 GGCDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183445512 1430713866 /nfs/dbraw/zinc/71/38/66/1430713866.db2.gz FVHYAUOEUYJTTB-IFXJQAMLSA-N 0 0 380.444 3.109 20 10 GGCDRN Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2)n1 ZINC000183448956 1430714461 /nfs/dbraw/zinc/71/44/61/1430714461.db2.gz DFUPWUDSDOUMBQ-AWEZNQCLSA-N 0 0 379.460 3.320 20 10 GGCDRN CC(=O)Nc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(C(F)(F)F)c1 ZINC000183453644 1430715451 /nfs/dbraw/zinc/71/54/51/1430715451.db2.gz IGMGPMYDIKTVNP-JTQLQIEISA-N 0 0 396.365 3.436 20 10 GGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC000183457758 1430716330 /nfs/dbraw/zinc/71/63/30/1430716330.db2.gz JVRIACHURMIHLH-VQIMIIECSA-N 0 0 396.487 3.006 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000183458135 1430716783 /nfs/dbraw/zinc/71/67/83/1430716783.db2.gz CPAXKSFUPVMHMJ-GFCCVEGCSA-N 0 0 387.461 3.279 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CSc2nccn2C)o1 ZINC000183465508 1430718325 /nfs/dbraw/zinc/71/83/25/1430718325.db2.gz SWSFLZAEVTTXQK-GFCCVEGCSA-N 0 0 387.461 3.078 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CSc2nccn2C)o1 ZINC000183465483 1430718487 /nfs/dbraw/zinc/71/84/87/1430718487.db2.gz SWSFLZAEVTTXQK-LBPRGKRZSA-N 0 0 387.461 3.078 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000183466758 1430718814 /nfs/dbraw/zinc/71/88/14/1430718814.db2.gz NBXZJSIRNZSBDW-CYBMUJFWSA-N 0 0 380.400 3.304 20 10 GGCDRN Cc1ccccc1-n1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2c1CCC2 ZINC000183467993 1430719130 /nfs/dbraw/zinc/71/91/30/1430719130.db2.gz HOWYYWKSDBZBCI-HNNXBMFYSA-N 0 0 391.471 3.442 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000183469841 1430719485 /nfs/dbraw/zinc/71/94/85/1430719485.db2.gz RCAVWVQGJBZLDE-WAIKUNEKSA-N 0 0 396.487 3.088 20 10 GGCDRN CC(C)c1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1F ZINC000183470009 1430719744 /nfs/dbraw/zinc/71/97/44/1430719744.db2.gz FDWDMJALWWPWNG-CYBMUJFWSA-N 0 0 398.438 3.302 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000183597743 1430750882 /nfs/dbraw/zinc/75/08/82/1430750882.db2.gz FSRLQUYCVAGQJA-LBPRGKRZSA-N 0 0 379.395 3.385 20 10 GGCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]2CCCC[C@@H]21 ZINC000183696116 1430775494 /nfs/dbraw/zinc/77/54/94/1430775494.db2.gz ZXFBNVWABHVMPN-SZVBFZGTSA-N 0 0 375.488 3.382 20 10 GGCDRN Cn1cnc(-c2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc2)n1 ZINC000183727769 1430781928 /nfs/dbraw/zinc/78/19/28/1430781928.db2.gz SUEUBNAPYSBZIL-IBGZPJMESA-N 0 0 392.459 3.009 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000183799946 1430796697 /nfs/dbraw/zinc/79/66/97/1430796697.db2.gz ZDEJZYHCPOHPIM-OAQYLSRUSA-N 0 0 396.487 3.211 20 10 GGCDRN O=C(CSc1nnc2ccccn21)N(Cc1ccco1)Cc1ccccc1O ZINC000183915441 1430812878 /nfs/dbraw/zinc/81/28/78/1430812878.db2.gz BNJCKMJUZCCDAB-UHFFFAOYSA-N 0 0 394.456 3.349 20 10 GGCDRN C[C@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)N1CCN(C)CC1 ZINC000184041484 1430832999 /nfs/dbraw/zinc/83/29/99/1430832999.db2.gz IGTWWECBDZTMLS-RBUKOAKNSA-N 0 0 381.520 3.118 20 10 GGCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cnc2c(c1)nnn2C ZINC000184041565 1430833225 /nfs/dbraw/zinc/83/32/25/1430833225.db2.gz RGFZJVDJMVCXCV-HNNXBMFYSA-N 0 0 387.443 3.473 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)N1CCN(C)CC1 ZINC000184041539 1430833246 /nfs/dbraw/zinc/83/32/46/1430833246.db2.gz IGTWWECBDZTMLS-MOPGFXCFSA-N 0 0 381.520 3.118 20 10 GGCDRN COc1ccc(N2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000184227637 1430859395 /nfs/dbraw/zinc/85/93/95/1430859395.db2.gz OXRYWILOPGOIGA-UHFFFAOYSA-N 0 0 375.400 3.073 20 10 GGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000184296600 1430870074 /nfs/dbraw/zinc/87/00/74/1430870074.db2.gz CNDOSESUEXLSKG-LAUBAEHRSA-N 0 0 392.515 3.388 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000184342126 1430875319 /nfs/dbraw/zinc/87/53/19/1430875319.db2.gz ZQSVCXNQCZMDHI-GOSISDBHSA-N 0 0 398.463 3.064 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2c1cccc2F ZINC000184461184 1430890457 /nfs/dbraw/zinc/89/04/57/1430890457.db2.gz HRYACFLMZWEYKI-UHFFFAOYSA-N 0 0 387.430 3.198 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NC[C@@H](C)c3ncc(C)s3)CC2)cc1F ZINC000184465423 1430890874 /nfs/dbraw/zinc/89/08/74/1430890874.db2.gz JYOHDZSQPYTHDU-CYBMUJFWSA-N 0 0 392.500 3.235 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NC[C@H](C)c3ncc(C)s3)CC2)cc1 ZINC000184471019 1430891463 /nfs/dbraw/zinc/89/14/63/1430891463.db2.gz VBWKKGZKZFXMLL-HNNXBMFYSA-N 0 0 388.537 3.486 20 10 GGCDRN CN(c1ccc(CNC(=O)c2cn(CC3(C)COC3)nn2)cc1)C1CCCCC1 ZINC000184483406 1430893088 /nfs/dbraw/zinc/89/30/88/1430893088.db2.gz CUQJNPBHXDYNPD-UHFFFAOYSA-N 0 0 397.523 3.014 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000184507961 1430896298 /nfs/dbraw/zinc/89/62/98/1430896298.db2.gz ABPIIUUDAWYLHJ-UHFFFAOYSA-N 0 0 398.463 3.313 20 10 GGCDRN Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)c(C)n1-c1cccc(C)c1 ZINC000184565950 1430905818 /nfs/dbraw/zinc/90/58/18/1430905818.db2.gz LTFFPOIHZFXMSD-UHFFFAOYSA-N 0 0 390.487 3.234 20 10 GGCDRN COCCOc1ccc(C#N)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000184606869 1430918027 /nfs/dbraw/zinc/91/80/27/1430918027.db2.gz RQSQAAQUXMQRSA-UHFFFAOYSA-N 0 0 394.475 3.288 20 10 GGCDRN Cn1cnc(-c2cccc(NC(=O)NCc3ccc(N4CCCC4)cc3)c2)n1 ZINC000184661357 1430933785 /nfs/dbraw/zinc/93/37/85/1430933785.db2.gz SFPDONLGDQYACU-UHFFFAOYSA-N 0 0 376.464 3.404 20 10 GGCDRN Cc1ccn(CN(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c(=O)c1C#N ZINC000184713816 1430949624 /nfs/dbraw/zinc/94/96/24/1430949624.db2.gz VUZFVELZYZKIBO-UHFFFAOYSA-N 0 0 378.398 3.116 20 10 GGCDRN Oc1cc2c(cc1CN1CCc3c(ncn3CCc3ccccc3)C1)OCO2 ZINC000184742520 1430961066 /nfs/dbraw/zinc/96/10/66/1430961066.db2.gz UCSYGOUAIXEEEQ-UHFFFAOYSA-N 0 0 377.444 3.118 20 10 GGCDRN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000184758022 1430968864 /nfs/dbraw/zinc/96/88/64/1430968864.db2.gz WXQLJQGHUOMFGY-MRXNPFEDSA-N 0 0 379.476 3.155 20 10 GGCDRN CCSCc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000184805347 1430983168 /nfs/dbraw/zinc/98/31/68/1430983168.db2.gz HZMUQGMDIBQNKF-UHFFFAOYSA-N 0 0 377.535 3.411 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cccn3C(C)C)CC2)cc(OC)c1OC ZINC000184869868 1431007979 /nfs/dbraw/zinc/00/79/79/1431007979.db2.gz CYTJNWYQWTWLGO-UHFFFAOYSA-N 0 0 387.480 3.057 20 10 GGCDRN Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)c3ccc(F)cc3[O-])CC2)cc1 ZINC000184961878 1431031549 /nfs/dbraw/zinc/03/15/49/1431031549.db2.gz RGIKXFALYCEZBF-OAHLLOKOSA-N 0 0 392.496 3.344 20 10 GGCDRN C[C@@H](c1nccs1)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000184971183 1431033666 /nfs/dbraw/zinc/03/36/66/1431033666.db2.gz SGWBRHYXRZIEOY-KRWDZBQOSA-N 0 0 397.548 3.108 20 10 GGCDRN CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185169132 1431076599 /nfs/dbraw/zinc/07/65/99/1431076599.db2.gz XHQSUUGBNICCJR-AWEZNQCLSA-N 0 0 380.485 3.413 20 10 GGCDRN C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1[O-] ZINC000185178462 1431078393 /nfs/dbraw/zinc/07/83/93/1431078393.db2.gz WDBZXJZIIKJBRG-OAHLLOKOSA-N 0 0 389.446 3.060 20 10 GGCDRN COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])ccc1OCC(N)=O ZINC000185205020 1431084430 /nfs/dbraw/zinc/08/44/30/1431084430.db2.gz MHYUJQCXYYXCJH-JTQLQIEISA-N 0 0 399.274 3.423 20 10 GGCDRN COc1cccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1[N+](=O)[O-] ZINC000185207263 1431085025 /nfs/dbraw/zinc/08/50/25/1431085025.db2.gz XOLJANJOXIIHEJ-UHFFFAOYSA-N 0 0 375.400 3.316 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCCCS(C)(=O)=O)c2C)cc1 ZINC000185259774 1431095437 /nfs/dbraw/zinc/09/54/37/1431095437.db2.gz LDKIYWLSSSZPAD-UHFFFAOYSA-N 0 0 392.521 3.047 20 10 GGCDRN CN1CCCc2cc(CNC(=O)N3CC[C@]4(C3)OCc3ccccc34)ccc21 ZINC000185292585 1431102053 /nfs/dbraw/zinc/10/20/53/1431102053.db2.gz LEQJTDNCXUHECW-HSZRJFAPSA-N 0 0 377.488 3.410 20 10 GGCDRN CN1CCCc2cc(CNC(=O)N3CCC(C(=O)C(F)(F)F)CC3)ccc21 ZINC000185297800 1431104283 /nfs/dbraw/zinc/10/42/83/1431104283.db2.gz FANJTRSQDBNZED-UHFFFAOYSA-N 0 0 383.414 3.122 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)CCc3cccc4c3OCO4)CC2)cc1 ZINC000185324326 1431114120 /nfs/dbraw/zinc/11/41/20/1431114120.db2.gz DBMBAQWVIUXRNQ-UHFFFAOYSA-N 0 0 382.460 3.095 20 10 GGCDRN Cn1nc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC(F)F ZINC000185381103 1431131224 /nfs/dbraw/zinc/13/12/24/1431131224.db2.gz JPOJANSBRMQLQB-UHFFFAOYSA-N 0 0 397.337 3.049 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000185387362 1431133089 /nfs/dbraw/zinc/13/30/89/1431133089.db2.gz RXWWUUFZNSPHRO-LBPRGKRZSA-N 0 0 375.856 3.107 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3sccc3C)CC2)cc(OC)c1OC ZINC000185478169 1431154218 /nfs/dbraw/zinc/15/42/18/1431154218.db2.gz NABSAZLTPYOJNO-UHFFFAOYSA-N 0 0 376.478 3.045 20 10 GGCDRN CCC1(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCCC1 ZINC000185489052 1431156378 /nfs/dbraw/zinc/15/63/78/1431156378.db2.gz DWLLIKSBDZBNRE-UHFFFAOYSA-N 0 0 376.497 3.331 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@@H]3CC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000185515234 1431162453 /nfs/dbraw/zinc/16/24/53/1431162453.db2.gz PRJXLDREUIMMQT-HZPDHXFCSA-N 0 0 376.497 3.187 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@@H](C)CC(C)C)CC2)cc(OC)c1OC ZINC000185518541 1431163338 /nfs/dbraw/zinc/16/33/38/1431163338.db2.gz WFZVNELQIBZJRS-INIZCTEOSA-N 0 0 378.513 3.433 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCc2c1cccc2F ZINC000185520708 1431163634 /nfs/dbraw/zinc/16/36/34/1431163634.db2.gz MZHNBEYYZYXDLV-UHFFFAOYSA-N 0 0 395.478 3.364 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cccc4c3CCC4)CC2)cc(OC)c1OC ZINC000185523198 1431164127 /nfs/dbraw/zinc/16/41/27/1431164127.db2.gz OFLFVKSVLLUEPQ-UHFFFAOYSA-N 0 0 396.487 3.164 20 10 GGCDRN COCC1=CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000185554013 1431169841 /nfs/dbraw/zinc/16/98/41/1431169841.db2.gz ZXWWMPSLGDTRPD-INIZCTEOSA-N 0 0 395.450 3.245 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000185570021 1431172489 /nfs/dbraw/zinc/17/24/89/1431172489.db2.gz GRDLBKIECFCVBT-UHFFFAOYSA-N 0 0 387.480 3.397 20 10 GGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CO2 ZINC000185960339 1431298496 /nfs/dbraw/zinc/29/84/96/1431298496.db2.gz XUPOAOBPKJZUIJ-IBGZPJMESA-N 0 0 398.478 3.196 20 10 GGCDRN C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000186062523 1431322302 /nfs/dbraw/zinc/32/23/02/1431322302.db2.gz YGXLXUOVTLJZKJ-QGZVFWFLSA-N 0 0 385.483 3.311 20 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3.329 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC000186381303 1431396570 /nfs/dbraw/zinc/39/65/70/1431396570.db2.gz MNTFSRJDTUNHFQ-LBPRGKRZSA-N 0 0 383.366 3.329 20 10 GGCDRN CCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1Cc1ccccc1 ZINC000186394127 1431399768 /nfs/dbraw/zinc/39/97/68/1431399768.db2.gz AHUGCDCGYUIBMF-HNNXBMFYSA-N 0 0 379.460 3.266 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000186396685 1431400260 /nfs/dbraw/zinc/40/02/60/1431400260.db2.gz SRYZKDXINXDMOF-AWEZNQCLSA-N 0 0 384.476 3.235 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000186396703 1431400457 /nfs/dbraw/zinc/40/04/57/1431400457.db2.gz SRYZKDXINXDMOF-CQSZACIVSA-N 0 0 384.476 3.235 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(CSc2nccn2C)c1 ZINC000186422272 1431413375 /nfs/dbraw/zinc/41/33/75/1431413375.db2.gz XAMXDSFNVHEBRJ-CQSZACIVSA-N 0 0 397.500 3.485 20 10 GGCDRN CCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(OC)cc1 ZINC000186426187 1431414820 /nfs/dbraw/zinc/41/48/20/1431414820.db2.gz NBWRYDMFBFDYPU-CQSZACIVSA-N 0 0 395.459 3.216 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NCCC[C@H]3CCCCO3)CC2)cc1 ZINC000186624337 1431472422 /nfs/dbraw/zinc/47/24/22/1431472422.db2.gz QQCNNHPLPOBMFK-HXUWFJFHSA-N 0 0 375.513 3.313 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)ccc(F)c1F ZINC000186688090 1431492581 /nfs/dbraw/zinc/49/25/81/1431492581.db2.gz XMOPOEBWRNMDJZ-UHFFFAOYSA-N 0 0 378.394 3.243 20 10 GGCDRN Cc1cc(C(=O)N2CCC(C(=O)C(F)(F)F)CC2)c(C)n1-c1ccccn1 ZINC000186732288 1431504225 /nfs/dbraw/zinc/50/42/25/1431504225.db2.gz RUMPSBMJATVGFE-UHFFFAOYSA-N 0 0 379.382 3.473 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1CCN(CC(F)(F)F)CC1 ZINC000186732829 1431504916 /nfs/dbraw/zinc/50/49/16/1431504916.db2.gz VZUGCLMEMUOCNF-UHFFFAOYSA-N 0 0 399.457 3.345 20 10 GGCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000186786834 1431516553 /nfs/dbraw/zinc/51/65/53/1431516553.db2.gz NVNIJANHKGMGDW-HNNXBMFYSA-N 0 0 375.513 3.214 20 10 GGCDRN O=C(Nc1cccc(CNC(=O)c2cccc(O)c2O)c1)c1cccc(F)c1 ZINC000186986923 1431583521 /nfs/dbraw/zinc/58/35/21/1431583521.db2.gz RUMCERYUYLBWSA-UHFFFAOYSA-N 0 0 380.375 3.419 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000187009816 1431588166 /nfs/dbraw/zinc/58/81/66/1431588166.db2.gz POBTUQMKEWCPER-UHFFFAOYSA-N 0 0 390.528 3.341 20 10 GGCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000187057207 1431601710 /nfs/dbraw/zinc/60/17/10/1431601710.db2.gz YYXHPZTWFQNKPQ-QGZVFWFLSA-N 0 0 387.446 3.378 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4ccccc4c3O)c2)CC1 ZINC000187117459 1431620009 /nfs/dbraw/zinc/62/00/09/1431620009.db2.gz YAXKWRZPVGQNHX-UHFFFAOYSA-N 0 0 389.455 3.466 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4nc(C)ccc4c3)c2)CC1 ZINC000187125527 1431624077 /nfs/dbraw/zinc/62/40/77/1431624077.db2.gz QHOBKGWJPKBIQY-UHFFFAOYSA-N 0 0 388.471 3.464 20 10 GGCDRN CCCN(C)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 ZINC000187131181 1431625231 /nfs/dbraw/zinc/62/52/31/1431625231.db2.gz OMPMOUANNOCLEF-UHFFFAOYSA-N 0 0 394.519 3.454 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NCc2cc(COC(C)(C)C)on2)cc1F ZINC000187136304 1431627900 /nfs/dbraw/zinc/62/79/00/1431627900.db2.gz FFIAWMJOWNPVBL-UHFFFAOYSA-N 0 0 378.448 3.194 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NCc3cc(COC(C)(C)C)on3)ccc21 ZINC000187140233 1431628470 /nfs/dbraw/zinc/62/84/70/1431628470.db2.gz TZFOAULTJZNQHZ-UHFFFAOYSA-N 0 0 386.496 3.372 20 10 GGCDRN COc1cc(N2CCN(CCC(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000187549620 1431764049 /nfs/dbraw/zinc/76/40/49/1431764049.db2.gz PBHUWCBGETYNAE-UHFFFAOYSA-N 0 0 398.503 3.416 20 10 GGCDRN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000187561096 1431767314 /nfs/dbraw/zinc/76/73/14/1431767314.db2.gz QKKAFYPJNRBCIG-AZUAARDMSA-N 0 0 393.503 3.055 20 10 GGCDRN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187701105 1431801548 /nfs/dbraw/zinc/80/15/48/1431801548.db2.gz UOHHJIQCILMECN-CYBMUJFWSA-N 0 0 398.475 3.349 20 10 GGCDRN COc1ccc(N2CCCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187730903 1431805032 /nfs/dbraw/zinc/80/50/32/1431805032.db2.gz VVKDIIAAQBLLRR-QGZVFWFLSA-N 0 0 388.533 3.372 20 10 GGCDRN Cc1oc2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc2c1C ZINC000187891758 1431824751 /nfs/dbraw/zinc/82/47/51/1431824751.db2.gz INUXAHZHLANWJX-NSHDSACASA-N 0 0 382.416 3.147 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)c(F)c1[O-] ZINC000187919857 1431827342 /nfs/dbraw/zinc/82/73/42/1431827342.db2.gz KSALFBNTXICRQR-LBPRGKRZSA-N 0 0 382.432 3.061 20 10 GGCDRN COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)n1 ZINC000188099661 1431846505 /nfs/dbraw/zinc/84/65/05/1431846505.db2.gz YWYSJPPBJKUPRG-UHFFFAOYSA-N 0 0 383.473 3.264 20 10 GGCDRN CC[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000188118678 1431849159 /nfs/dbraw/zinc/84/91/59/1431849159.db2.gz YPWXMTRJHGEKPS-QFIPXVFZSA-N 0 0 379.504 3.165 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC(Cn4cncn4)CC3)c2C)cc1 ZINC000188164543 1431855202 /nfs/dbraw/zinc/85/52/02/1431855202.db2.gz PRMZYQNYTNFJGD-UHFFFAOYSA-N 0 0 393.491 3.247 20 10 GGCDRN O=C(CCOCC(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000188369339 1431877824 /nfs/dbraw/zinc/87/78/24/1431877824.db2.gz AFEXECFAVLEEEK-LBPRGKRZSA-N 0 0 378.366 3.045 20 10 GGCDRN Cc1coc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC000188380990 1431879180 /nfs/dbraw/zinc/87/91/80/1431879180.db2.gz VXQOUQCMIWSDGH-UHFFFAOYSA-N 0 0 378.409 3.489 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC1(Cc2ccccc2)CC1 ZINC000188443523 1431884629 /nfs/dbraw/zinc/88/46/29/1431884629.db2.gz TVXCBRGRHOUZRT-UHFFFAOYSA-N 0 0 397.494 3.361 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCOCC(F)(F)C(F)(F)F ZINC000188483142 1431888170 /nfs/dbraw/zinc/88/81/70/1431888170.db2.gz GXWWETYWPXYMBY-UHFFFAOYSA-N 0 0 382.329 3.082 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000188783945 1431973109 /nfs/dbraw/zinc/97/31/09/1431973109.db2.gz LMDQLCMTOIWPPX-QZTJIDSGSA-N 0 0 396.535 3.424 20 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1432028648 /nfs/dbraw/zinc/02/86/48/1432028648.db2.gz PUKSHDFIMORCJE-AWEZNQCLSA-N 0 0 385.455 3.371 20 10 GGCDRN COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccncc1 ZINC000189126572 1432049398 /nfs/dbraw/zinc/04/93/98/1432049398.db2.gz ZVRBVBBAYBPLFB-JOCHJYFZSA-N 0 0 392.459 3.092 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000189283063 1432078066 /nfs/dbraw/zinc/07/80/66/1432078066.db2.gz JFRZEPQVKGZKCV-CALCHBBNSA-N 0 0 383.492 3.453 20 10 GGCDRN O=C(NCCCSc1nccs1)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189318476 1432085280 /nfs/dbraw/zinc/08/52/80/1432085280.db2.gz UTHMVXFQKHZZOV-RISCZKNCSA-N 0 0 397.488 3.408 20 10 GGCDRN COc1c(C)cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1C ZINC000189331151 1432087517 /nfs/dbraw/zinc/08/75/17/1432087517.db2.gz ZDPXJPONSXRAIH-UHFFFAOYSA-N 0 0 381.476 3.233 20 10 GGCDRN CSc1cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)ccc1F ZINC000189337212 1432089120 /nfs/dbraw/zinc/08/91/20/1432089120.db2.gz REXSUWFAZOHECY-UHFFFAOYSA-N 0 0 387.480 3.468 20 10 GGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000189424203 1432106447 /nfs/dbraw/zinc/10/64/47/1432106447.db2.gz RPLDMHUPRWDGOH-UHFFFAOYSA-N 0 0 376.356 3.092 20 10 GGCDRN COc1ccc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1 ZINC000189447046 1432114811 /nfs/dbraw/zinc/11/48/11/1432114811.db2.gz BYRKROBLXYWEJI-HNNXBMFYSA-N 0 0 390.443 3.405 20 10 GGCDRN COc1ncccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC000189449458 1432115167 /nfs/dbraw/zinc/11/51/67/1432115167.db2.gz RQMGLTAYGOZHBI-HNNXBMFYSA-N 0 0 390.443 3.405 20 10 GGCDRN Cc1c(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cnn1C ZINC000189449545 1432115431 /nfs/dbraw/zinc/11/54/31/1432115431.db2.gz IYTJIKOXFUIRLJ-AWEZNQCLSA-N 0 0 377.448 3.044 20 10 GGCDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000189458217 1432118517 /nfs/dbraw/zinc/11/85/17/1432118517.db2.gz VYOSMUOTBKIXSX-LBPRGKRZSA-N 0 0 387.386 3.231 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)c3nnnn3C3CCCCC3)CC2)cc1F ZINC000189535966 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/nfs/dbraw/zinc/23/37/91/1434233791.db2.gz RXLCULCEJJZJLF-QGZVFWFLSA-N 0 0 398.459 3.094 20 10 GGCDRN CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000265455289 1434236134 /nfs/dbraw/zinc/23/61/34/1434236134.db2.gz XMLFBQMUTHVKRL-FQEVSTJZSA-N 0 0 383.444 3.181 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000265465036 1434236898 /nfs/dbraw/zinc/23/68/98/1434236898.db2.gz GTYBEVMQFRYFRL-UHFFFAOYSA-N 0 0 397.475 3.309 20 10 GGCDRN CCCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000265557521 1434245615 /nfs/dbraw/zinc/24/56/15/1434245615.db2.gz MTTVAAZGWWLMNR-UHFFFAOYSA-N 0 0 392.839 3.098 20 10 GGCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2N2CCCCCC2)c1O ZINC000265594309 1434249067 /nfs/dbraw/zinc/24/90/67/1434249067.db2.gz SKVYPTIDMAYYAA-UHFFFAOYSA-N 0 0 397.475 3.036 20 10 GGCDRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000265601025 1434249521 /nfs/dbraw/zinc/24/95/21/1434249521.db2.gz RUCLDCWBFFJQCL-ZXXAIXDNSA-N 0 0 398.488 3.408 20 10 GGCDRN CCc1c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C(C)(C)C ZINC000265620411 1434251012 /nfs/dbraw/zinc/25/10/12/1434251012.db2.gz QHBOTOICBSIPRX-UHFFFAOYSA-N 0 0 398.551 3.339 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(N2CCCCC2)nc1 ZINC000265910516 1434281522 /nfs/dbraw/zinc/28/15/22/1434281522.db2.gz KIJWZUYKYDQBEJ-UHFFFAOYSA-N 0 0 391.519 3.448 20 10 GGCDRN COc1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc(OC)c1OC ZINC000265939797 1434285845 /nfs/dbraw/zinc/28/58/45/1434285845.db2.gz QTOJEMZWZIMUPK-UHFFFAOYSA-N 0 0 397.475 3.088 20 10 GGCDRN CN(C)C(=O)C[C@@H]1CN(C(=O)/C=C/c2cncc(F)c2)c2ccc(Cl)cc21 ZINC000265990656 1434293529 /nfs/dbraw/zinc/29/35/29/1434293529.db2.gz MAZQELDLAKSWNT-BOTMBNHJSA-N 0 0 387.842 3.496 20 10 GGCDRN COc1cc(N(C)CC(=O)Nc2ccc(OC(F)F)cc2)cc(OC)c1OC ZINC000266008606 1434295981 /nfs/dbraw/zinc/29/59/81/1434295981.db2.gz RBIRXDXBTXFIRS-UHFFFAOYSA-N 0 0 396.390 3.389 20 10 GGCDRN Cc1noc(-c2cccnc2NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000266132852 1434305937 /nfs/dbraw/zinc/30/59/37/1434305937.db2.gz OWDOOHLSBNAURZ-UHFFFAOYSA-N 0 0 379.464 3.261 20 10 GGCDRN COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(NC(C)=O)c1OC ZINC000266235167 1434312366 /nfs/dbraw/zinc/31/23/66/1434312366.db2.gz GGKXXOGEZPBLSM-UHFFFAOYSA-N 0 0 385.464 3.000 20 10 GGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000266263943 1434314397 /nfs/dbraw/zinc/31/43/97/1434314397.db2.gz OCFPPGHSRBOHNB-QGZVFWFLSA-N 0 0 378.476 3.403 20 10 GGCDRN COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(NC(C)=O)c1OC ZINC000266263038 1434314469 /nfs/dbraw/zinc/31/44/69/1434314469.db2.gz NKQPDJIWHABVDM-UHFFFAOYSA-N 0 0 397.475 3.192 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2cn(Cc3cccs3)nn2)C2CC2)cc1 ZINC000266266405 1434314907 /nfs/dbraw/zinc/31/49/07/1434314907.db2.gz PDPXTYOFYNBCRT-UHFFFAOYSA-N 0 0 381.505 3.259 20 10 GGCDRN O=C(NCc1ccncc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266278272 1434315671 /nfs/dbraw/zinc/31/56/71/1434315671.db2.gz FBZFHJBBZXGGMK-OAHLLOKOSA-N 0 0 376.407 3.151 20 10 GGCDRN C[C@@H]1Sc2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2NC1=O ZINC000266355119 1434323799 /nfs/dbraw/zinc/32/37/99/1434323799.db2.gz PXXPLQMBEFDZIH-LBPRGKRZSA-N 0 0 383.473 3.225 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(OCCC(N)=O)cc2)C2CC2)cc1 ZINC000266369007 1434326068 /nfs/dbraw/zinc/32/60/68/1434326068.db2.gz BLMYRWNJOXVVDK-UHFFFAOYSA-N 0 0 396.491 3.203 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(N2CCNC2=O)c1 ZINC000266387052 1434328652 /nfs/dbraw/zinc/32/86/52/1434328652.db2.gz NRQSFBXLTHSUPA-UHFFFAOYSA-N 0 0 380.448 3.122 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 ZINC000266405083 1434331798 /nfs/dbraw/zinc/33/17/98/1434331798.db2.gz IAXYLEWIERWJDE-UHFFFAOYSA-N 0 0 396.451 3.129 20 10 GGCDRN COc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000266429938 1434335402 /nfs/dbraw/zinc/33/54/02/1434335402.db2.gz UBIAMHSYUMKBOT-UHFFFAOYSA-N 0 0 375.400 3.316 20 10 GGCDRN NC(=O)CSc1ccccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266436070 1434336518 /nfs/dbraw/zinc/33/65/18/1434336518.db2.gz ZHHSLYOUYNYCRC-UHFFFAOYSA-N 0 0 385.489 3.170 20 10 GGCDRN COc1cccc(CNC(=O)[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000266482169 1434342029 /nfs/dbraw/zinc/34/20/29/1434342029.db2.gz VKVGKAWCEMNIOR-HIFRSBDPSA-N 0 0 378.469 3.101 20 10 GGCDRN CC(C)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000266503023 1434344232 /nfs/dbraw/zinc/34/42/32/1434344232.db2.gz DMCKNZAPPSMHJN-UHFFFAOYSA-N 0 0 384.480 3.385 20 10 GGCDRN CCC(CC)c1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)on1 ZINC000266532518 1434347142 /nfs/dbraw/zinc/34/71/42/1434347142.db2.gz KVCCKGAGZGAUFO-UHFFFAOYSA-N 0 0 386.496 3.414 20 10 GGCDRN COc1ccccc1C[C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266594999 1434352804 /nfs/dbraw/zinc/35/28/04/1434352804.db2.gz TUGAYRXOHKISRE-SFHVURJKSA-N 0 0 397.519 3.304 20 10 GGCDRN Cc1cc(C)c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)[nH]1 ZINC000266685844 1434363632 /nfs/dbraw/zinc/36/36/32/1434363632.db2.gz UJEUBHRWDMXTCF-CQSZACIVSA-N 0 0 391.418 3.404 20 10 GGCDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000266727747 1434368380 /nfs/dbraw/zinc/36/83/80/1434368380.db2.gz KKYVFQKARRBRDM-AWEZNQCLSA-N 0 0 385.464 3.385 20 10 GGCDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000266727752 1434368483 /nfs/dbraw/zinc/36/84/83/1434368483.db2.gz KKYVFQKARRBRDM-CQSZACIVSA-N 0 0 385.464 3.385 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCC(C)(C)CO)cc2F)C[C@H](C)O1 ZINC000266819325 1434378681 /nfs/dbraw/zinc/37/86/81/1434378681.db2.gz XLMRLZYMVNPIPL-IYBDPMFKSA-N 0 0 395.519 3.037 20 10 GGCDRN COc1cccc(CNC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)c1O ZINC000266825857 1434379328 /nfs/dbraw/zinc/37/93/28/1434379328.db2.gz MCBFXKXORBGWAS-UHFFFAOYSA-N 0 0 388.464 3.195 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3nccs3)cc2F)C[C@@H](C)O1 ZINC000266872594 1434383933 /nfs/dbraw/zinc/38/39/33/1434383933.db2.gz UHRFZRKDRABYMM-ZIAGYGMSSA-N 0 0 392.500 3.237 20 10 GGCDRN Cc1nnc2n1C[C@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)CC2 ZINC000266897569 1434386470 /nfs/dbraw/zinc/38/64/70/1434386470.db2.gz WJPMYYYJFBLWLP-KRWDZBQOSA-N 0 0 397.523 3.399 20 10 GGCDRN O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267014681 1434398906 /nfs/dbraw/zinc/39/89/06/1434398906.db2.gz HPXZYMMPMZSWMS-CWJYSFMFSA-N 0 0 384.461 3.025 20 10 GGCDRN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)NCc1ccccc1O ZINC000267018144 1434399395 /nfs/dbraw/zinc/39/93/95/1434399395.db2.gz IJKKVOCJBSIWLI-UHFFFAOYSA-N 0 0 391.855 3.191 20 10 GGCDRN CCOC[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000267068130 1434404646 /nfs/dbraw/zinc/40/46/46/1434404646.db2.gz FUQUHDKFHOHRBA-XYJFISCASA-N 0 0 393.503 3.007 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H](O)COCCOC(C)C ZINC000267149147 1434410781 /nfs/dbraw/zinc/41/07/81/1434410781.db2.gz REYZHHMPJORMBF-QGZVFWFLSA-N 0 0 394.537 3.030 20 10 GGCDRN COc1cccc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000267398910 1434429079 /nfs/dbraw/zinc/42/90/79/1434429079.db2.gz JASMRLKOUHJNJC-SOFGYWHQSA-N 0 0 384.451 3.125 20 10 GGCDRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267541443 1434444714 /nfs/dbraw/zinc/44/47/14/1434444714.db2.gz BSFPAELXHZFDNU-HNNXBMFYSA-N 0 0 395.488 3.036 20 10 GGCDRN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267576449 1434447037 /nfs/dbraw/zinc/44/70/37/1434447037.db2.gz PLLDMDBKCRCEBI-HZPDHXFCSA-N 0 0 380.448 3.309 20 10 GGCDRN CC(C)C(=O)N1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000267588579 1434448018 /nfs/dbraw/zinc/44/80/18/1434448018.db2.gz TYPGSGLKTSMNEO-UHFFFAOYSA-N 0 0 391.475 3.229 20 10 GGCDRN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000267602824 1434449034 /nfs/dbraw/zinc/44/90/34/1434449034.db2.gz XUGOFHVGDRFFCY-CABCVRRESA-N 0 0 378.432 3.314 20 10 GGCDRN CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267627605 1434451260 /nfs/dbraw/zinc/45/12/60/1434451260.db2.gz GZDISAVDGATVHN-ADPQETAKSA-N 0 0 382.420 3.356 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC3(C)CCOCC3)cc2F)C[C@@H](C)O1 ZINC000267828279 1434468686 /nfs/dbraw/zinc/46/86/86/1434468686.db2.gz UUVRQKPEYQGCOI-HZPDHXFCSA-N 0 0 393.503 3.055 20 10 GGCDRN CC(C)Nc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000267873121 1434472579 /nfs/dbraw/zinc/47/25/79/1434472579.db2.gz UZPUCDNAXRGAOQ-UHFFFAOYSA-N 0 0 382.508 3.041 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000267923528 1434477355 /nfs/dbraw/zinc/47/73/55/1434477355.db2.gz KRTWWNFYHWJADK-UHFFFAOYSA-N 0 0 389.839 3.008 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000267928201 1434478079 /nfs/dbraw/zinc/47/80/79/1434478079.db2.gz MWFRQQITPSBIRG-UHFFFAOYSA-N 0 0 397.475 3.478 20 10 GGCDRN C[C@@H]1CN(Cc2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000267935415 1434478840 /nfs/dbraw/zinc/47/88/40/1434478840.db2.gz QCTYIPQVRQNWCH-HZPDHXFCSA-N 0 0 399.491 3.071 20 10 GGCDRN C[C@@H]1CN(Cc2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000267935418 1434478855 /nfs/dbraw/zinc/47/88/55/1434478855.db2.gz QCTYIPQVRQNWCH-IYBDPMFKSA-N 0 0 399.491 3.071 20 10 GGCDRN CCn1nc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1C1CC1 ZINC000267949432 1434480159 /nfs/dbraw/zinc/48/01/59/1434480159.db2.gz RIZLHPALOLBRRQ-UHFFFAOYSA-N 0 0 387.459 3.282 20 10 GGCDRN CC(C)OCCOCc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000267959659 1434481293 /nfs/dbraw/zinc/48/12/93/1434481293.db2.gz ZILOWAHEFBNUNW-UHFFFAOYSA-N 0 0 388.464 3.404 20 10 GGCDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000267995547 1434485167 /nfs/dbraw/zinc/48/51/67/1434485167.db2.gz LGICJECSISSKNM-UHFFFAOYSA-N 0 0 397.518 3.337 20 10 GGCDRN CC(C)C[C@H](CCO)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268040003 1434490151 /nfs/dbraw/zinc/49/01/51/1434490151.db2.gz XPMOKJYPHIEOLL-HKUYNNGSSA-N 0 0 378.513 3.128 20 10 GGCDRN CC(=O)c1ccc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000268091611 1434493922 /nfs/dbraw/zinc/49/39/22/1434493922.db2.gz KSRFWUXTOPZJFO-FQEVSTJZSA-N 0 0 382.460 3.215 20 10 GGCDRN CC(C)(C)c1nnc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000268196299 1434501276 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GGCDRN COc1cc(OC)c(OC)cc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268916874 1434571000 /nfs/dbraw/zinc/57/10/00/1434571000.db2.gz ODOKVOHLZADRGU-RMKNXTFCSA-N 0 0 398.459 3.201 20 10 GGCDRN COc1cc(CCC(=O)NCc2ccc(O)c(O)c2)ccc1OCC(F)(F)F ZINC000269080045 1434589205 /nfs/dbraw/zinc/58/92/05/1434589205.db2.gz IGXSMRCXRKDYMN-UHFFFAOYSA-N 0 0 399.365 3.297 20 10 GGCDRN COCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000269090620 1434590822 /nfs/dbraw/zinc/59/08/22/1434590822.db2.gz OOOCLXOXMZDWSA-IYBDPMFKSA-N 0 0 393.503 3.055 20 10 GGCDRN CN(C)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000269094686 1434591211 /nfs/dbraw/zinc/59/12/11/1434591211.db2.gz RIRPXYMPOFSOME-FTGFMQHASA-N 0 0 393.447 3.120 20 10 GGCDRN CCOc1cc(C(=O)Nc2ccc(N)cc2)ccc1OCC(=O)N1CCCCC1 ZINC000269133989 1434595859 /nfs/dbraw/zinc/59/58/59/1434595859.db2.gz PPCQKGKQCJMECU-UHFFFAOYSA-N 0 0 397.475 3.311 20 10 GGCDRN COc1cc(NC(=O)C(C)(C)C)c(C(=O)NCc2ccccc2O)cc1OC ZINC000269160996 1434599408 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ZUKFOZBIMUQTQO-UHFFFAOYSA-N 0 0 399.466 3.468 20 10 GGCDRN Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(O)c1O ZINC000272723192 1434926128 /nfs/dbraw/zinc/92/61/28/1434926128.db2.gz FSBYWCGMRWQRHV-UHFFFAOYSA-N 0 0 378.432 3.211 20 10 GGCDRN Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1O ZINC000272749494 1434927882 /nfs/dbraw/zinc/92/78/82/1434927882.db2.gz NTNJSTWNIAMESY-KGLIPLIRSA-N 0 0 376.453 3.020 20 10 GGCDRN Cc1ccc(C(=O)N2C[C@H](CC(=O)N(C)C)c3cc(Cl)ccc32)c(O)c1O ZINC000272793286 1434931517 /nfs/dbraw/zinc/93/15/17/1434931517.db2.gz XCGZMROMUKORAZ-LBPRGKRZSA-N 0 0 388.851 3.282 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000272810707 1434932671 /nfs/dbraw/zinc/93/26/71/1434932671.db2.gz JIPYGYOVOZXJIY-MRXNPFEDSA-N 0 0 383.448 3.351 20 10 GGCDRN Cc1ccc(C(=O)N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000272863782 1434937040 /nfs/dbraw/zinc/93/70/40/1434937040.db2.gz VFHACNFLRVANGC-UHFFFAOYSA-N 0 0 378.469 3.125 20 10 GGCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1 ZINC000273057025 1434955910 /nfs/dbraw/zinc/95/59/10/1434955910.db2.gz WRPJLPIGGYANKU-IFMALSPDSA-N 0 0 388.552 3.353 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000273145359 1434966074 /nfs/dbraw/zinc/96/60/74/1434966074.db2.gz GCTZWTNGKLSTDZ-CQSZACIVSA-N 0 0 392.496 3.182 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000273145357 1434966146 /nfs/dbraw/zinc/96/61/46/1434966146.db2.gz GCTZWTNGKLSTDZ-AWEZNQCLSA-N 0 0 392.496 3.182 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000273144468 1434966258 /nfs/dbraw/zinc/96/62/58/1434966258.db2.gz GACAAFOBEATOBC-VXGBXAGGSA-N 0 0 376.434 3.234 20 10 GGCDRN C[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298365 1434979109 /nfs/dbraw/zinc/97/91/09/1434979109.db2.gz AQGYUPMTINPEAI-XJKSGUPXSA-N 0 0 377.466 3.086 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC(=O)N2Cc3ccccc3C2)c1 ZINC000273359538 1434983092 /nfs/dbraw/zinc/98/30/92/1434983092.db2.gz DKCRJGIAFCRZIB-HNNXBMFYSA-N 0 0 382.460 3.152 20 10 GGCDRN CSCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273393000 1434985711 /nfs/dbraw/zinc/98/57/11/1434985711.db2.gz LCKMSJPIAPIJOB-IUODEOHRSA-N 0 0 387.465 3.488 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405791 1434986634 /nfs/dbraw/zinc/98/66/34/1434986634.db2.gz OGWHIUZWQQDWHV-JKSUJKDBSA-N 0 0 385.464 3.372 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405780 1434986685 /nfs/dbraw/zinc/98/66/85/1434986685.db2.gz OGWHIUZWQQDWHV-CVEARBPZSA-N 0 0 385.464 3.372 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000273434853 1434988651 /nfs/dbraw/zinc/98/86/51/1434988651.db2.gz WPWPHIUGTXVGAC-DNVCBOLYSA-N 0 0 382.460 3.193 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000273445987 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ZINC000276924739 1435243568 /nfs/dbraw/zinc/24/35/68/1435243568.db2.gz UDCAJENKMUMYLN-HRCADAONSA-N 0 0 399.491 3.464 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000276924737 1435243574 /nfs/dbraw/zinc/24/35/74/1435243574.db2.gz UDCAJENKMUMYLN-BZUAXINKSA-N 0 0 399.491 3.464 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1[O-] ZINC000276955958 1435246690 /nfs/dbraw/zinc/24/66/90/1435246690.db2.gz RGYYSXIPLVFXES-NWDGAFQWSA-N 0 0 384.448 3.333 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277115869 1435263751 /nfs/dbraw/zinc/26/37/51/1435263751.db2.gz NBWKUSKEFQBVLD-LLVKDONJSA-N 0 0 397.880 3.087 20 10 GGCDRN C[C@](O)(CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1 ZINC000277216732 1435279531 /nfs/dbraw/zinc/27/95/31/1435279531.db2.gz FSVBUYGPDBKVPC-FQEVSTJZSA-N 0 0 388.851 3.108 20 10 GGCDRN C[C@@](O)(CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1 ZINC000277216737 1435279760 /nfs/dbraw/zinc/27/97/60/1435279760.db2.gz FSVBUYGPDBKVPC-HXUWFJFHSA-N 0 0 388.851 3.108 20 10 GGCDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000277235755 1435283090 /nfs/dbraw/zinc/28/30/90/1435283090.db2.gz YAZUCEVYOMSGON-MRXNPFEDSA-N 0 0 386.404 3.130 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCOC2(CCCC2)C1 ZINC000277269221 1435287305 /nfs/dbraw/zinc/28/73/05/1435287305.db2.gz OYFUINQUXCZHNC-HNNXBMFYSA-N 0 0 378.856 3.302 20 10 GGCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccccc2SCC(N)=O)cc1 ZINC000277293538 1435290260 /nfs/dbraw/zinc/29/02/60/1435290260.db2.gz SZRPRKPGVZQJAQ-UHFFFAOYSA-N 0 0 387.505 3.126 20 10 GGCDRN COCC[C@@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277315642 1435293051 /nfs/dbraw/zinc/29/30/51/1435293051.db2.gz SZMAMIBYYBLMMH-AWEZNQCLSA-N 0 0 378.812 3.181 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncsc1C(F)(F)F ZINC000277330255 1435294656 /nfs/dbraw/zinc/29/46/56/1435294656.db2.gz GHYCMLPEUHDHSW-UHFFFAOYSA-N 0 0 389.374 3.068 20 10 GGCDRN O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277396307 1435301458 /nfs/dbraw/zinc/30/14/58/1435301458.db2.gz PTFZYQXATOVDIZ-OAQYLSRUSA-N 0 0 388.471 3.431 20 10 GGCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000277428223 1435303967 /nfs/dbraw/zinc/30/39/67/1435303967.db2.gz NIAOKYPRJQMXDW-RXVVDRJESA-N 0 0 382.508 3.240 20 10 GGCDRN CC(C)O[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000277611401 1435316160 /nfs/dbraw/zinc/31/61/60/1435316160.db2.gz INNKBRQZHOPKNA-CVEARBPZSA-N 0 0 380.872 3.402 20 10 GGCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000277733519 1435325387 /nfs/dbraw/zinc/32/53/87/1435325387.db2.gz TXHNEBVLKHNIMM-LJQANCHMSA-N 0 0 398.478 3.142 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000277801992 1435331744 /nfs/dbraw/zinc/33/17/44/1435331744.db2.gz ZEMIPMLASOJCJM-UHFFFAOYSA-N 0 0 396.516 3.277 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCOc2ccc(F)cc21 ZINC000277916972 1435342154 /nfs/dbraw/zinc/34/21/54/1435342154.db2.gz QCZPAUTZXXRLAJ-HNNXBMFYSA-N 0 0 390.798 3.473 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCOc2ccc(F)cc21 ZINC000277916978 1435342156 /nfs/dbraw/zinc/34/21/56/1435342156.db2.gz QCZPAUTZXXRLAJ-OAHLLOKOSA-N 0 0 390.798 3.473 20 10 GGCDRN COc1c(O)c(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)ccc1[N+](=O)[O-] ZINC000278192424 1435368164 /nfs/dbraw/zinc/36/81/64/1435368164.db2.gz IFEQVHMLTLNCDK-GFCCVEGCSA-N 0 0 394.428 3.058 20 10 GGCDRN COc1c(O)c(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278207330 1435369706 /nfs/dbraw/zinc/36/97/06/1435369706.db2.gz JRBIKCDOSAQJCE-UHFFFAOYSA-N 0 0 387.436 3.305 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278227670 1435371686 /nfs/dbraw/zinc/37/16/86/1435371686.db2.gz MKUPBDXEBGWYOH-OCCSQVGLSA-N 0 0 395.456 3.044 20 10 GGCDRN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000278327183 1435380172 /nfs/dbraw/zinc/38/01/72/1435380172.db2.gz UPNXQMAYUAYENJ-ZBFHGGJFSA-N 0 0 377.485 3.322 20 10 GGCDRN COc1cc([N+](=O)[O-])c(N2CCC(Oc3ncccc3F)CC2)cc1OC ZINC000278365775 1435384299 /nfs/dbraw/zinc/38/42/99/1435384299.db2.gz DFAZQYWNWMRMMY-UHFFFAOYSA-N 0 0 377.372 3.194 20 10 GGCDRN C[C@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000278409154 1435388465 /nfs/dbraw/zinc/38/84/65/1435388465.db2.gz RONHPJNBRHSXEM-MTENODCZSA-N 0 0 376.453 3.015 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2ccccc2-n2nc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278498074 1435395356 /nfs/dbraw/zinc/39/53/56/1435395356.db2.gz NBVIWNAHFRDQIY-UHFFFAOYSA-N 0 0 382.420 3.401 20 10 GGCDRN CCN(CC)c1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1F ZINC000278524489 1435397221 /nfs/dbraw/zinc/39/72/21/1435397221.db2.gz SVDKOMDFRNSHKG-UHFFFAOYSA-N 0 0 397.502 3.457 20 10 GGCDRN COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278525613 1435397233 /nfs/dbraw/zinc/39/72/33/1435397233.db2.gz TUKCZBSCCJRAHT-SGTLLEGYSA-N 0 0 376.409 3.183 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278528096 1435397453 /nfs/dbraw/zinc/39/74/53/1435397453.db2.gz UHYUGUYIKFVOQX-NVXWUHKLSA-N 0 0 376.384 3.458 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278537479 1435398144 /nfs/dbraw/zinc/39/81/44/1435398144.db2.gz WMFNHXCKKNZGBT-RHSMWYFYSA-N 0 0 380.347 3.207 20 10 GGCDRN CN(C)c1ncnc(Cl)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278538074 1435398266 /nfs/dbraw/zinc/39/82/66/1435398266.db2.gz GCBHEYKOPQYPTI-HNNXBMFYSA-N 0 0 376.888 3.083 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278556123 1435399681 /nfs/dbraw/zinc/39/96/81/1435399681.db2.gz ASCGBGIZLBMCPT-CYBMUJFWSA-N 0 0 395.456 3.046 20 10 GGCDRN COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1OC ZINC000278566992 1435400483 /nfs/dbraw/zinc/40/04/83/1435400483.db2.gz CCWABZBFDXRLTI-LLVKDONJSA-N 0 0 392.408 3.186 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NCC2CC2)nc1 ZINC000278685049 1435414112 /nfs/dbraw/zinc/41/41/12/1435414112.db2.gz QOCYXCXFIUOKLD-UHFFFAOYSA-N 0 0 380.492 3.012 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc(-c3cnn(C)c3)nn2)C2CC2)cc1 ZINC000278764046 1435421450 /nfs/dbraw/zinc/42/14/50/1435421450.db2.gz OSGPQVFVVDVTFL-UHFFFAOYSA-N 0 0 391.479 3.140 20 10 GGCDRN COc1c([O-])c(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278810938 1435425847 /nfs/dbraw/zinc/42/58/47/1435425847.db2.gz YQEGCENFYVEOCP-UHFFFAOYSA-N 0 0 386.448 3.126 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278833768 1435428917 /nfs/dbraw/zinc/42/89/17/1435428917.db2.gz JCASSCRUJMHFRS-CYBMUJFWSA-N 0 0 375.400 3.064 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000278838046 1435429409 /nfs/dbraw/zinc/42/94/09/1435429409.db2.gz JNNXDAMQUHTGLL-MRXNPFEDSA-N 0 0 375.425 3.219 20 10 GGCDRN COc1ccc(COCCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278893755 1435436615 /nfs/dbraw/zinc/43/66/15/1435436615.db2.gz QAEDLLBXUOIQOK-UHFFFAOYSA-N 0 0 376.409 3.014 20 10 GGCDRN COc1c([O-])c(C[NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278904193 1435437654 /nfs/dbraw/zinc/43/76/54/1435437654.db2.gz ROJDBPTWHYLOHZ-CYBMUJFWSA-N 0 0 395.456 3.046 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)ccc1[N+](=O)[O-] ZINC000278912459 1435438861 /nfs/dbraw/zinc/43/88/61/1435438861.db2.gz SQZQPMCRBRWGIT-UHFFFAOYSA-N 0 0 385.420 3.337 20 10 GGCDRN CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278926276 1435440857 /nfs/dbraw/zinc/44/08/57/1435440857.db2.gz VLMWCJMWVKYQEP-ZDUSSCGKSA-N 0 0 387.436 3.127 20 10 GGCDRN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 ZINC000278959733 1435445683 /nfs/dbraw/zinc/44/56/83/1435445683.db2.gz NRLXIDZHNXVIIT-GDBMZVCRSA-N 0 0 388.489 3.090 20 10 GGCDRN O=C(CCc1ccc(=O)[nH]c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000278974637 1435447610 /nfs/dbraw/zinc/44/76/10/1435447610.db2.gz CSVQBSSKPUPCNT-OAHLLOKOSA-N 0 0 391.418 3.106 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1nc(C2CCC2)cs1 ZINC000279074761 1435457916 /nfs/dbraw/zinc/45/79/16/1435457916.db2.gz NFBNOBYZSVDUGA-UHFFFAOYSA-N 0 0 386.521 3.464 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncnn1-c1ccccc1 ZINC000279090865 1435459348 /nfs/dbraw/zinc/45/93/48/1435459348.db2.gz SYYVNCBRXSGLLK-UHFFFAOYSA-N 0 0 378.480 3.065 20 10 GGCDRN C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000279128993 1435463247 /nfs/dbraw/zinc/46/32/47/1435463247.db2.gz DSWHWCWZERCXJU-MRXNPFEDSA-N 0 0 387.524 3.406 20 10 GGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(F)c1Cl ZINC000279218436 1435472778 /nfs/dbraw/zinc/47/27/78/1435472778.db2.gz LQUZHYISUQIFHB-UHFFFAOYSA-N 0 0 396.871 3.275 20 10 GGCDRN C[C@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000279388072 1435493678 /nfs/dbraw/zinc/49/36/78/1435493678.db2.gz AKFPQXMPTVCRRA-YWZLYKJASA-N 0 0 397.466 3.203 20 10 GGCDRN C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000279388065 1435493714 /nfs/dbraw/zinc/49/37/14/1435493714.db2.gz AKFPQXMPTVCRRA-MGPUTAFESA-N 0 0 397.466 3.203 20 10 GGCDRN Cc1cc(C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c(C)n1-c1ccccn1 ZINC000279419508 1435497375 /nfs/dbraw/zinc/49/73/75/1435497375.db2.gz SXOYNLVCCZHJOC-MRXNPFEDSA-N 0 0 379.464 3.369 20 10 GGCDRN Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nnn1CC1CCCC1 ZINC000279462775 1435502102 /nfs/dbraw/zinc/50/21/02/1435502102.db2.gz MYVIXSDESBCVBD-LJQANCHMSA-N 0 0 398.507 3.304 20 10 GGCDRN C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CCO2 ZINC000279469940 1435502738 /nfs/dbraw/zinc/50/27/38/1435502738.db2.gz HIEDHZFFZVEJAH-PGRDOPGGSA-N 0 0 387.524 3.012 20 10 GGCDRN O=C(NCc1nc(-c2cccc(F)c2)no1)NCc1ccc(N2CCCC2)cc1 ZINC000279584658 1435515762 /nfs/dbraw/zinc/51/57/62/1435515762.db2.gz UXQPQQKOLVLZEZ-UHFFFAOYSA-N 0 0 395.438 3.475 20 10 GGCDRN COC[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000279718261 1435534769 /nfs/dbraw/zinc/53/47/69/1435534769.db2.gz LIGADDLAELQDHD-VQTJNVASSA-N 0 0 375.513 3.012 20 10 GGCDRN COCCOC1CCC(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000279725523 1435535372 /nfs/dbraw/zinc/53/53/72/1435535372.db2.gz AAKKZRYKHCADNP-LYBXBRPPSA-N 0 0 391.508 3.122 20 10 GGCDRN COCCOC1CCC(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000279725527 1435535432 /nfs/dbraw/zinc/53/54/32/1435535432.db2.gz AAKKZRYKHCADNP-UUKMXZOPSA-N 0 0 391.508 3.122 20 10 GGCDRN CN(c1ccc(CNC(=O)C2(S(C)(=O)=O)CCC2)cc1)C1CCCCC1 ZINC000279732546 1435536289 /nfs/dbraw/zinc/53/62/89/1435536289.db2.gz WDZSIDOMYMXPCQ-UHFFFAOYSA-N 0 0 378.538 3.039 20 10 GGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnn2CC(F)F)cc1 ZINC000279782580 1435542451 /nfs/dbraw/zinc/54/24/51/1435542451.db2.gz HPNIWWMXKKEJGW-UHFFFAOYSA-N 0 0 390.356 3.419 20 10 GGCDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000279855474 1435552695 /nfs/dbraw/zinc/55/26/95/1435552695.db2.gz FIDBOABLOIRSSD-KRWDZBQOSA-N 0 0 381.480 3.012 20 10 GGCDRN COCC1(C(=O)N(C)Cc2ccccc2O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000279867447 1435555191 /nfs/dbraw/zinc/55/51/91/1435555191.db2.gz KWOYRZNDMYPRFR-UHFFFAOYSA-N 0 0 392.496 3.014 20 10 GGCDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)sc1C ZINC000279930190 1435565001 /nfs/dbraw/zinc/56/50/01/1435565001.db2.gz JBUXMVSTOJBDKM-CFNZNRNTSA-N 0 0 388.445 3.026 20 10 GGCDRN Cc1ccc(N)cc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000279972947 1435571123 /nfs/dbraw/zinc/57/11/23/1435571123.db2.gz YCZZAZSQICPQRT-UHFFFAOYSA-N 0 0 393.409 3.363 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3C[C@H](C)O[C@]4(CCOC4)C3)cc2)CC1 ZINC000280009112 1435575942 /nfs/dbraw/zinc/57/59/42/1435575942.db2.gz SHJXPKPUKYJQFL-PGRDOPGGSA-N 0 0 387.524 3.012 20 10 GGCDRN C[C@H]1CN(c2ccc(CNC(=O)CCc3ccccc3N)cc2F)C[C@H](C)O1 ZINC000280030427 1435579647 /nfs/dbraw/zinc/57/96/47/1435579647.db2.gz YAUPMXDECFMARL-HOTGVXAUSA-N 0 0 385.483 3.271 20 10 GGCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000280046489 1435582492 /nfs/dbraw/zinc/58/24/92/1435582492.db2.gz XDADNEZAXHMNQF-ANQUJSFKSA-N 0 0 376.472 3.061 20 10 GGCDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000280099026 1435592428 /nfs/dbraw/zinc/59/24/28/1435592428.db2.gz JTEHHZIHHYHMCH-KRWDZBQOSA-N 0 0 383.496 3.018 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccoc3C(C)C)CC2)cc(OC)c1OC ZINC000280103868 1435592830 /nfs/dbraw/zinc/59/28/30/1435592830.db2.gz BDFCZSUUAGYSKL-UHFFFAOYSA-N 0 0 388.464 3.391 20 10 GGCDRN CC(=O)c1ccc(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)nc1 ZINC000280129578 1435597278 /nfs/dbraw/zinc/59/72/78/1435597278.db2.gz DGHGDVFBWXOSLQ-UHFFFAOYSA-N 0 0 375.428 3.107 20 10 GGCDRN C[C@@H]1CN(c2ccc(CN[C@H](c3ncc[nH]3)c3cccnc3)cc2F)C[C@@H](C)O1 ZINC000280203828 1435608162 /nfs/dbraw/zinc/60/81/62/1435608162.db2.gz SYFWQRVFIIEOLE-ZOCZFRKYSA-N 0 0 395.482 3.437 20 10 GGCDRN CN(C)C(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000280369654 1435645487 /nfs/dbraw/zinc/64/54/87/1435645487.db2.gz VGCQHESGSFASMF-UHFFFAOYSA-N 0 0 395.507 3.380 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCC(=O)NC)cc1C ZINC000280493786 1435669167 /nfs/dbraw/zinc/66/91/67/1435669167.db2.gz LRWSZGPXBXUVHV-UHFFFAOYSA-N 0 0 385.464 3.270 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000280531894 1435674571 /nfs/dbraw/zinc/67/45/71/1435674571.db2.gz LIOSIPDDBVGQLW-KSSFIOAISA-N 0 0 386.448 3.408 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000280585436 1435683804 /nfs/dbraw/zinc/68/38/04/1435683804.db2.gz PVKYZKJXKHMEBM-HNNXBMFYSA-N 0 0 397.475 3.477 20 10 GGCDRN CN(C)C(=O)Nc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000280620403 1435690944 /nfs/dbraw/zinc/69/09/44/1435690944.db2.gz WFTURPXCKSJNGS-UHFFFAOYSA-N 0 0 383.496 3.188 20 10 GGCDRN Cc1ccc([C@H](NCc2ccc(N(C)C)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280627710 1435692733 /nfs/dbraw/zinc/69/27/33/1435692733.db2.gz GRVIZINMCITGDF-FOIQADDNSA-N 0 0 378.513 3.464 20 10 GGCDRN Cc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280627716 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394.393 3.353 20 10 GGCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000280846685 1435730062 /nfs/dbraw/zinc/73/00/62/1435730062.db2.gz ZCASKBVKZAZLSG-LBPRGKRZSA-N 0 0 376.840 3.339 20 10 GGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCC(=O)c2cnn(C)c2)cc1 ZINC000280977915 1435750564 /nfs/dbraw/zinc/75/05/64/1435750564.db2.gz UFQZOWJMRDBHIH-UHFFFAOYSA-N 0 0 394.475 3.271 20 10 GGCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1F ZINC000280992902 1435752967 /nfs/dbraw/zinc/75/29/67/1435752967.db2.gz KLTDLGHCJWRTDB-UHFFFAOYSA-N 0 0 390.390 3.309 20 10 GGCDRN CCOc1cc2c(cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)OCCO2 ZINC000281052124 1435764494 /nfs/dbraw/zinc/76/44/94/1435764494.db2.gz OUBWUCJMRTYKHN-LBPRGKRZSA-N 0 0 388.420 3.020 20 10 GGCDRN COC(=O)C(C)(C)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000281055041 1435764807 /nfs/dbraw/zinc/76/48/07/1435764807.db2.gz BFEYNTKIEWHYFI-CYBMUJFWSA-N 0 0 386.448 3.301 20 10 GGCDRN COC(=O)C(C)(C)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000281055043 1435765115 /nfs/dbraw/zinc/76/51/15/1435765115.db2.gz BFEYNTKIEWHYFI-ZDUSSCGKSA-N 0 0 386.448 3.301 20 10 GGCDRN CC(=O)OCCCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000281126308 1435780718 /nfs/dbraw/zinc/78/07/18/1435780718.db2.gz USDCJTJMYAFKIV-CQSZACIVSA-N 0 0 386.448 3.346 20 10 GGCDRN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000281209721 1435796733 /nfs/dbraw/zinc/79/67/33/1435796733.db2.gz BHKTXKVYIRBBLO-VCZGEHRXSA-N 0 0 398.547 3.325 20 10 GGCDRN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000281235108 1435800064 /nfs/dbraw/zinc/80/00/64/1435800064.db2.gz MPKPIAGNLGMOMT-UHFFFAOYSA-N 0 0 392.503 3.285 20 10 GGCDRN C[C@H](c1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1)N1CCOCC1 ZINC000281332764 1435804124 /nfs/dbraw/zinc/80/41/24/1435804124.db2.gz JSZHSFBWFJJSQD-JKSUJKDBSA-N 0 0 399.491 3.244 20 10 GGCDRN COC(=O)N(C)Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000281389421 1435806829 /nfs/dbraw/zinc/80/68/29/1435806829.db2.gz NDMAYYQVAFRDQN-ZDUSSCGKSA-N 0 0 387.436 3.049 20 10 GGCDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000281533791 1435812619 /nfs/dbraw/zinc/81/26/19/1435812619.db2.gz WNTBSGVLVWLLBG-ZDUSSCGKSA-N 0 0 385.420 3.116 20 10 GGCDRN Cc1cc(C(=O)NC2CCN(c3nccs3)CC2)c(C)n1-c1ccccn1 ZINC000281576884 1435814233 /nfs/dbraw/zinc/81/42/33/1435814233.db2.gz LTQURFGINGCFBO-UHFFFAOYSA-N 0 0 381.505 3.344 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3cncs3)cc2F)C[C@@H](C)O1 ZINC000281649034 1435817068 /nfs/dbraw/zinc/81/70/68/1435817068.db2.gz NGGYUEOOYYYTOD-IOKDEZFASA-N 0 0 375.469 3.225 20 10 GGCDRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000281674887 1435818169 /nfs/dbraw/zinc/81/81/69/1435818169.db2.gz BXVKLIARPGHTNI-DYLHUKMJSA-N 0 0 390.480 3.264 20 10 GGCDRN Cc1ccc(C(=O)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000281715283 1435819376 /nfs/dbraw/zinc/81/93/76/1435819376.db2.gz GNSYUSMKJXXDFP-AWEZNQCLSA-N 0 0 378.469 3.173 20 10 GGCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCc3cnn(C)c3C2)cc1 ZINC000281745961 1435820536 /nfs/dbraw/zinc/82/05/36/1435820536.db2.gz DRKLPIOJGAQDFB-OAHLLOKOSA-N 0 0 394.441 3.182 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nncn1C ZINC000281839402 1435823767 /nfs/dbraw/zinc/82/37/67/1435823767.db2.gz HVYMIMIKDZNYFR-ZIAGYGMSSA-N 0 0 390.919 3.265 20 10 GGCDRN CCn1ccnc1[C@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000281983220 1435829581 /nfs/dbraw/zinc/82/95/81/1435829581.db2.gz MSVRWXZPYBMPFE-HXUWFJFHSA-N 0 0 397.523 3.176 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCC(F)(F)C1 ZINC000282061578 1435833075 /nfs/dbraw/zinc/83/30/75/1435833075.db2.gz URXQGAXODIECBJ-KRWDZBQOSA-N 0 0 381.467 3.130 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCC(F)(F)C1 ZINC000282061584 1435833128 /nfs/dbraw/zinc/83/31/28/1435833128.db2.gz URXQGAXODIECBJ-QGZVFWFLSA-N 0 0 381.467 3.130 20 10 GGCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)no1 ZINC000282256344 1435840388 /nfs/dbraw/zinc/84/03/88/1435840388.db2.gz OTYMTBGFVOSKBX-GFCCVEGCSA-N 0 0 390.871 3.128 20 10 GGCDRN CCCCN(Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1ccccc1O ZINC000282375181 1435845062 /nfs/dbraw/zinc/84/50/62/1435845062.db2.gz FNBAKIRVTUOBLU-UHFFFAOYSA-N 0 0 391.475 3.089 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000282449438 1435847615 /nfs/dbraw/zinc/84/76/15/1435847615.db2.gz ISDLKANTYKRVKH-UHFFFAOYSA-N 0 0 391.471 3.440 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000282591154 1435852886 /nfs/dbraw/zinc/85/28/86/1435852886.db2.gz XBBGRCHITNLGNX-UHFFFAOYSA-N 0 0 387.524 3.449 20 10 GGCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCCC34CCOCC4)CC2)cc1F ZINC000282630178 1435854365 /nfs/dbraw/zinc/85/43/65/1435854365.db2.gz CAMMVJCAOHHPPN-IBGZPJMESA-N 0 0 391.487 3.015 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000282679600 1435856142 /nfs/dbraw/zinc/85/61/42/1435856142.db2.gz DAORSRQPZJQNSA-UHFFFAOYSA-N 0 0 398.507 3.136 20 10 GGCDRN Cc1cc(Cl)nc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000282818106 1435861538 /nfs/dbraw/zinc/86/15/38/1435861538.db2.gz LLKRMOORALYEOT-UHFFFAOYSA-N 0 0 388.899 3.222 20 10 GGCDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000282876579 1435864204 /nfs/dbraw/zinc/86/42/04/1435864204.db2.gz APCPIKLDOBRTBQ-JXMROGBWSA-N 0 0 395.459 3.146 20 10 GGCDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000282921521 1435866178 /nfs/dbraw/zinc/86/61/78/1435866178.db2.gz ZFYBZYYUFLNDRF-UHFFFAOYSA-N 0 0 380.448 3.355 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000282992336 1435869317 /nfs/dbraw/zinc/86/93/17/1435869317.db2.gz FPSXSKXHKDEQHA-SFHVURJKSA-N 0 0 385.512 3.106 20 10 GGCDRN COCCN(C[C@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000283098851 1435874405 /nfs/dbraw/zinc/87/44/05/1435874405.db2.gz LRDXKEXVHNQMRE-GOSISDBHSA-N 0 0 398.503 3.319 20 10 GGCDRN Cc1csc(CCCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000283182383 1435878217 /nfs/dbraw/zinc/87/82/17/1435878217.db2.gz VHHNWADAGQOTMF-UHFFFAOYSA-N 0 0 387.549 3.299 20 10 GGCDRN C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1cccnc1 ZINC000283256744 1435881659 /nfs/dbraw/zinc/88/16/59/1435881659.db2.gz XITIHCJDIQYHHG-INIZCTEOSA-N 0 0 381.476 3.326 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cccc2cccnc21 ZINC000283290304 1435883125 /nfs/dbraw/zinc/88/31/25/1435883125.db2.gz CJAFSRKJJCMYIT-UHFFFAOYSA-N 0 0 391.471 3.038 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000283520977 1435893749 /nfs/dbraw/zinc/89/37/49/1435893749.db2.gz BBCZJEBYVJNPCG-WMZOPIPTSA-N 0 0 375.513 3.351 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000283520973 1435893752 /nfs/dbraw/zinc/89/37/52/1435893752.db2.gz BBCZJEBYVJNPCG-SJLPKXTDSA-N 0 0 375.513 3.351 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(NC(C)=O)ccc1C ZINC000283593373 1435897031 /nfs/dbraw/zinc/89/70/31/1435897031.db2.gz LJVHXQJVJPHOLH-UHFFFAOYSA-N 0 0 397.475 3.426 20 10 GGCDRN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000283701151 1435906309 /nfs/dbraw/zinc/90/63/09/1435906309.db2.gz QYXMCDHAHFLFLA-RTWAWAEBSA-N 0 0 389.503 3.326 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000283712681 1435909217 /nfs/dbraw/zinc/90/92/17/1435909217.db2.gz WQGSWEFMGWPYNN-UHFFFAOYSA-N 0 0 393.390 3.156 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000283737310 1435913354 /nfs/dbraw/zinc/91/33/54/1435913354.db2.gz ZLGWFMBKJZIGGM-UHFFFAOYSA-N 0 0 385.420 3.376 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000283813468 1435929033 /nfs/dbraw/zinc/92/90/33/1435929033.db2.gz XQCFOTIVPOYIEO-NRFANRHFSA-N 0 0 377.488 3.171 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1cccs1 ZINC000283881566 1435943148 /nfs/dbraw/zinc/94/31/48/1435943148.db2.gz KBXQHZGFJBWJDR-UHFFFAOYSA-N 0 0 385.533 3.056 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1coc(-c2cccs2)n1 ZINC000283896146 1435947617 /nfs/dbraw/zinc/94/76/17/1435947617.db2.gz DMWOQNAROGZNEO-UHFFFAOYSA-N 0 0 399.472 3.164 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc3ncccc3c2)cc1 ZINC000283923066 1435953642 /nfs/dbraw/zinc/95/36/42/1435953642.db2.gz HBRIAQZEXIDQQR-UHFFFAOYSA-N 0 0 390.487 3.014 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCc2sccc21 ZINC000283937178 1435956833 /nfs/dbraw/zinc/95/68/33/1435956833.db2.gz HRBBTGRQFXMWTQ-GOSISDBHSA-N 0 0 383.517 3.158 20 10 GGCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)[nH]1 ZINC000283941505 1435957349 /nfs/dbraw/zinc/95/73/49/1435957349.db2.gz KWEJAIJPYQLRDK-UHFFFAOYSA-N 0 0 378.476 3.010 20 10 GGCDRN CN(c1ccc(CNC(=O)C(=O)Nc2cccc(F)n2)cc1)C1CCCCC1 ZINC000283942479 1435957620 /nfs/dbraw/zinc/95/76/20/1435957620.db2.gz BIOZYAUGSHOJJH-UHFFFAOYSA-N 0 0 384.455 3.245 20 10 GGCDRN O=S1(=O)CCC[C@@H](CN(Cc2cccs2)c2ccc3c(c2)OCCO3)C1 ZINC000284035414 1435977465 /nfs/dbraw/zinc/97/74/65/1435977465.db2.gz IQZWSQVKRGWOBW-HNNXBMFYSA-N 0 0 393.530 3.351 20 10 GGCDRN COc1ccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000284223781 1436005331 /nfs/dbraw/zinc/00/53/31/1436005331.db2.gz STURJMLYIGVHKK-MRXNPFEDSA-N 0 0 395.503 3.130 20 10 GGCDRN CSCc1cccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000284318926 1436012870 /nfs/dbraw/zinc/01/28/70/1436012870.db2.gz WGWQNXTTXFKFSC-UHFFFAOYSA-N 0 0 397.544 3.082 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000284348019 1436014908 /nfs/dbraw/zinc/01/49/08/1436014908.db2.gz MTKVOKOJIZBBOR-JOCHJYFZSA-N 0 0 392.499 3.272 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cc(F)ccc1OC ZINC000284361976 1436015864 /nfs/dbraw/zinc/01/58/64/1436015864.db2.gz ZJHGVVCIKNXOHI-AWEZNQCLSA-N 0 0 388.439 3.156 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cc(F)ccc1OC ZINC000284361981 1436016200 /nfs/dbraw/zinc/01/62/00/1436016200.db2.gz ZJHGVVCIKNXOHI-CQSZACIVSA-N 0 0 388.439 3.156 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000284431887 1436021507 /nfs/dbraw/zinc/02/15/07/1436021507.db2.gz VZSOUFHUHAHKJE-IBGZPJMESA-N 0 0 386.517 3.110 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000284636484 1436036340 /nfs/dbraw/zinc/03/63/40/1436036340.db2.gz WRGWMWIQMBSHIT-NRFANRHFSA-N 0 0 378.472 3.242 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820413533 1441841731 /nfs/dbraw/zinc/84/17/31/1441841731.db2.gz RNKNXUUMMWGVBW-CVEARBPZSA-N 0 0 378.480 3.115 20 10 GGCDRN CCC[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)Cc1ccccc1O ZINC000821109986 1441932434 /nfs/dbraw/zinc/93/24/34/1441932434.db2.gz VGAFFVZCPDEULI-UHFFFAOYSA-N 0 0 391.435 3.035 20 10 GGCDRN Oc1ccc(Cl)cc1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511590 1442190132 /nfs/dbraw/zinc/19/01/32/1442190132.db2.gz WSNDOUYSLLFKSN-UHFFFAOYSA-N 0 0 385.855 3.269 20 10 GGCDRN Cc1cc(Br)cc(C[NH2+][C@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000826256541 1442389798 /nfs/dbraw/zinc/38/97/98/1442389798.db2.gz ORNFTJJDRKZDRL-LLVKDONJSA-N 0 0 388.269 3.494 20 10 GGCDRN C[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820410386 1443092183 /nfs/dbraw/zinc/09/21/83/1443092183.db2.gz FBPPQDRMWYVTNX-HOTGVXAUSA-N 0 0 378.480 3.115 20 10 GGCDRN COc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000821794961 1443166280 /nfs/dbraw/zinc/16/62/80/1443166280.db2.gz REAGCTPOBSTSSO-UHFFFAOYSA-N 0 0 391.431 3.376 20 10 GGCDRN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821610962 1443505623 /nfs/dbraw/zinc/50/56/23/1443505623.db2.gz LTFGINIRPFNQEY-NRFANRHFSA-N 0 0 392.507 3.022 20 10 GGCDRN Oc1ccc(Br)cc1C[NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826510637 1446195406 /nfs/dbraw/zinc/19/54/06/1446195406.db2.gz BTHKURZKQJOORS-UHFFFAOYSA-N 0 0 386.253 3.114 20 10 GGCDRN CCC[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1O ZINC000821110329 1447283944 /nfs/dbraw/zinc/28/39/44/1447283944.db2.gz ZWQCPRHAVLDJJJ-UHFFFAOYSA-N 0 0 391.435 3.035 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000821221546 945656697 /nfs/dbraw/zinc/65/66/97/945656697.db2.gz JWQJENJOTTWWGU-HNNXBMFYSA-N 0 0 393.495 3.225 20 10 GGCDRN CCOc1cccc(NC(=S)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000825654204 947278843 /nfs/dbraw/zinc/27/88/43/947278843.db2.gz RKNPXFGONOVXCM-UHFFFAOYSA-N 0 0 389.872 3.232 20 10 GGCDRN S=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)Nc1ccccc1Cl ZINC000826511873 948434020 /nfs/dbraw/zinc/43/40/20/948434020.db2.gz HZCKDMRQMKFPNB-UHFFFAOYSA-N 0 0 380.264 3.487 20 10 GGCDRN O=C([O-])CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CCOCC1 ZINC001595055937 951498642 /nfs/dbraw/zinc/49/86/42/951498642.db2.gz MCGIYORTRSPDJM-UHFFFAOYSA-N 0 0 385.460 3.427 20 10 GGCDRN COC1CCN(c2ccc(C[N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000846270744 955703071 /nfs/dbraw/zinc/70/30/71/955703071.db2.gz MGORJXKHMCUAQJ-QFIPXVFZSA-N 0 0 380.488 3.486 20 10 GGCDRN Cc1cc(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000868447032 956018380 /nfs/dbraw/zinc/01/83/80/956018380.db2.gz HMINQLFIEXCKIC-UHFFFAOYSA-N 0 0 389.883 3.026 20 10 GGCDRN O=C([O-])C1([NH2+]CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CCOCC1 ZINC001574531462 961897847 /nfs/dbraw/zinc/89/78/47/961897847.db2.gz KHBGUPFONKUWCR-UHFFFAOYSA-N 0 0 382.420 3.264 20 10 GGCDRN CC(C)c1[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1C(=O)[O-] ZINC001591918502 976385466 /nfs/dbraw/zinc/38/54/66/976385466.db2.gz TZJMABDSSWBUDG-UHFFFAOYSA-N 0 0 375.444 3.102 20 10 GGCDRN CC(C)(C)OC(=O)N1CC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC000736272104 978316261 /nfs/dbraw/zinc/31/62/61/978316261.db2.gz CHLFZKAWCPPFCW-CYBMUJFWSA-N 0 0 398.887 3.189 20 10 GGCDRN C[C@H](C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC001592604853 978547521 /nfs/dbraw/zinc/54/75/21/978547521.db2.gz OWKAJCBDGUADMK-QGZVFWFLSA-N 0 0 386.467 3.385 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC000819162411 978924514 /nfs/dbraw/zinc/92/45/14/978924514.db2.gz ASDCPPIJBPJWSL-OAQYLSRUSA-N 0 0 378.476 3.362 20 10 GGCDRN C[C@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000844208698 979359681 /nfs/dbraw/zinc/35/96/81/979359681.db2.gz GBIMTUBRKLCOIL-YHWKNFMLSA-N 0 0 381.432 3.403 20 10 GGCDRN C[C@@](Cc1ccc(Cl)cc1)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001592841086 979612685 /nfs/dbraw/zinc/61/26/85/979612685.db2.gz YLPGYARRSGJCLS-NRFANRHFSA-N 0 0 388.895 3.352 20 10 GGCDRN O=C([O-])C[C@]1([NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)CCCOC1 ZINC000859813042 979644013 /nfs/dbraw/zinc/64/40/13/979644013.db2.gz DOXMRBCZBXLUEE-HSZRJFAPSA-N 0 0 380.488 3.363 20 10 GGCDRN Cc1cc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1cccc(C)c1 ZINC000864159586 979774091 /nfs/dbraw/zinc/77/40/91/979774091.db2.gz HAJYRUZJEZZDHK-INIZCTEOSA-N 0 0 383.492 3.024 20 10 GGCDRN CCCN(CCC)c1ccc(C[NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)cc1 ZINC000901522556 980341502 /nfs/dbraw/zinc/34/15/02/980341502.db2.gz HNWBTLRGZFWKSA-UHFFFAOYSA-N 0 0 385.512 3.440 20 10 GGCDRN CO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000902031068 980701524 /nfs/dbraw/zinc/70/15/24/980701524.db2.gz HEZAZCKEPLTUEH-UNMCSNQZSA-N 0 0 380.488 3.313 20 10 GGCDRN COc1cccc(CN(CC[NH+](C)C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000910372522 981902548 /nfs/dbraw/zinc/90/25/48/981902548.db2.gz CLZLWESCPHKXCZ-NTMALXAHSA-N 0 0 399.447 3.269 20 10 GGCDRN O=C([O-])c1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c(F)c1 ZINC000911262339 982320651 /nfs/dbraw/zinc/32/06/51/982320651.db2.gz QCZHKUFYGGUGPH-UHFFFAOYSA-N 0 0 397.450 3.308 20 10 GGCDRN Cc1cc(C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)c(C)n1-c1cccc(C)c1 ZINC000911380353 982398046 /nfs/dbraw/zinc/39/80/46/982398046.db2.gz OTVUMNZVRGRTSR-UHFFFAOYSA-N 0 0 397.519 3.319 20 10 GGCDRN CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001595747257 982413772 /nfs/dbraw/zinc/41/37/72/982413772.db2.gz DLBHARDRBLCEOZ-INIZCTEOSA-N 0 0 384.476 3.397 20 10 GGCDRN CCN(C)c1ccc(C[NH2+][C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)cc1 ZINC001596197278 983581264 /nfs/dbraw/zinc/58/12/64/983581264.db2.gz GQCBXRRBPFSKRE-QHCPKHFHSA-N 0 0 381.520 3.352 20 10 GGCDRN C[NH+](C)[C@@H](CC(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)c1ccccc1 ZINC001598166651 990684856 /nfs/dbraw/zinc/68/48/56/990684856.db2.gz XHLSIPNKJJBOHP-KRWDZBQOSA-N 0 0 390.867 3.152 20 10 GGCDRN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(C(=O)[O-])c(F)c2)[NH+](C)C)cc1 ZINC001598313077 991286716 /nfs/dbraw/zinc/28/67/16/991286716.db2.gz BKHHTPDSAYFAQB-GOSISDBHSA-N 0 0 388.443 3.014 20 10 GGCDRN CN(C)c1ccc([C@@H](C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)N(C)C)cc1 ZINC001598313653 991290624 /nfs/dbraw/zinc/29/06/24/991290624.db2.gz TZZBEAMXMFPGLN-LJQANCHMSA-N 0 0 375.900 3.497 20 10 GGCDRN C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001598498726 992400196 /nfs/dbraw/zinc/40/01/96/992400196.db2.gz KYRPKXVTHFGUOY-WDZFZDKYSA-N 0 0 396.487 3.132 20 10 GGCDRN CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)cc1 ZINC001598531824 992790950 /nfs/dbraw/zinc/79/09/50/992790950.db2.gz RQTADEOKDPCRKE-LAUBAEHRSA-N 0 0 386.517 3.308 20 10 GGCDRN COc1ccc(N2CC[C@H](C[NH2+]Cc3cc(C(=O)[O-])c4n3CCCC4)C2)cc1 ZINC001599586166 993616210 /nfs/dbraw/zinc/61/62/10/993616210.db2.gz MJKLYVTWWFEBJO-MRXNPFEDSA-N 0 0 383.492 3.147 20 10 GGCDRN COc1ccc(N2CC[C@H]([NH2+]Cc3c4cc(F)ccc4n(C)c3C(=O)[O-])C2)cc1 ZINC001599586429 993619741 /nfs/dbraw/zinc/61/97/41/993619741.db2.gz PGZZMZDTRNTUSA-HNNXBMFYSA-N 0 0 397.450 3.393 20 10 GGCDRN C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)c1cc(C(=O)[O-])ccc1O ZINC001593246428 994451520 /nfs/dbraw/zinc/45/15/20/994451520.db2.gz LGNMTOASAOFHHX-QFYYESIMSA-N 0 0 380.238 3.237 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593246417 994451608 /nfs/dbraw/zinc/45/16/08/994451608.db2.gz LALMVYMPWKHTSQ-QLJPJBMISA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@H]([NH2+]CC1(CN2CCOCC2)CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593247974 994467709 /nfs/dbraw/zinc/46/77/09/994467709.db2.gz IJAXQXCLLSCWLK-INIZCTEOSA-N 0 0 376.497 3.024 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255925 994518993 /nfs/dbraw/zinc/51/89/93/994518993.db2.gz FKGQRWALDZDBID-VQIMIIECSA-N 0 0 384.476 3.032 20 10 GGCDRN C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593265792 994576189 /nfs/dbraw/zinc/57/61/89/994576189.db2.gz XJZHZPJWIDFYMP-KBPBESRZSA-N 0 0 378.469 3.388 20 10 GGCDRN C[C@H]([NH2+]CCOc1ccc(/C=C/C(=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC001593272616 994612572 /nfs/dbraw/zinc/61/25/72/994612572.db2.gz SNDRUVVFIYPQQR-BIPIYRQYSA-N 0 0 396.487 3.351 20 10 GGCDRN C[C@]([NH2+]Cc1c(O)cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285105 994634055 /nfs/dbraw/zinc/63/40/55/994634055.db2.gz BJLGXFJVIMOLEH-MRXNPFEDSA-N 0 0 395.209 3.153 20 10 GGCDRN C[C@@]([NH2+]Cc1c(O)cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593285104 994634600 /nfs/dbraw/zinc/63/46/00/994634600.db2.gz BJLGXFJVIMOLEH-INIZCTEOSA-N 0 0 395.209 3.153 20 10 GGCDRN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC001593289419 994663290 /nfs/dbraw/zinc/66/32/90/994663290.db2.gz SOQBLNQOSRMLRI-MRXNPFEDSA-N 0 0 383.492 3.210 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593304344 994745267 /nfs/dbraw/zinc/74/52/67/994745267.db2.gz MDIGOJLIXYVHGG-AWEZNQCLSA-N 0 0 394.427 3.464 20 10 GGCDRN C[C@@H](Oc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593644842 995967347 /nfs/dbraw/zinc/96/73/47/995967347.db2.gz NJQXBQANUDFKHS-QGZVFWFLSA-N 0 0 384.476 3.007 20 10 GGCDRN C[C@@H](Oc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)[O-] ZINC001593645189 995971461 /nfs/dbraw/zinc/97/14/61/995971461.db2.gz QDRHNOLWWJBUFB-APWZRJJASA-N 0 0 385.460 3.425 20 10 GGCDRN C[C@@H](Oc1ccccc1C[NH2+]Cc1cc(Br)ccc1O)C(=O)[O-] ZINC001593649229 996001061 /nfs/dbraw/zinc/00/10/61/996001061.db2.gz QCDSEKOVSZKFQO-LLVKDONJSA-N 0 0 380.238 3.296 20 10 GGCDRN COc1cc(C)cc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1O ZINC001599392584 997065902 /nfs/dbraw/zinc/06/59/02/997065902.db2.gz OIFUXHLIIIITDX-HNNXBMFYSA-N 0 0 399.365 3.393 20 10 GGCDRN COC1CCN(c2ccc(C[NH2+][C@@](C)(CC(=O)[O-])c3cccnc3)cc2)CC1 ZINC001599126834 997867495 /nfs/dbraw/zinc/86/74/95/997867495.db2.gz NINGMOPPOUPXIL-QFIPXVFZSA-N 0 0 383.492 3.177 20 10 GGCDRN COc1cc(O)c(C[NH2+][C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1OC ZINC001599446447 998016865 /nfs/dbraw/zinc/01/68/65/998016865.db2.gz UZQBURNYTQAWKV-QAPCUYQASA-N 0 0 385.460 3.462 20 10 GGCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1OC ZINC001599446490 998018408 /nfs/dbraw/zinc/01/84/08/998018408.db2.gz WOFQVSAHKWIINH-LBPRGKRZSA-N 0 0 378.450 3.210 20 10 GGCDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756362329 1126107675 /nfs/dbraw/zinc/10/76/75/1126107675.db2.gz LIRSUQHYMXMBQZ-IBGZPJMESA-N 0 0 383.448 3.371 20 10 GGCDRN O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000756388406 1126108831 /nfs/dbraw/zinc/10/88/31/1126108831.db2.gz NNKWMXOVYAGHNT-MRXNPFEDSA-N 0 0 396.413 3.135 20 10 GGCDRN CCCOc1ccc(C[NH2+][C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)[O-])cc1C ZINC000871878561 1126117340 /nfs/dbraw/zinc/11/73/40/1126117340.db2.gz OJMXJLAAGZHEAE-FQEVSTJZSA-N 0 0 394.475 3.150 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccnc23)C(=O)[O-])cc1F ZINC000904063482 1126132628 /nfs/dbraw/zinc/13/26/28/1126132628.db2.gz RCZSWCUPUXZXPT-SFHVURJKSA-N 0 0 384.455 3.334 20 10 GGCDRN O=C([O-])[C@H](Cc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001333937907 1126178488 /nfs/dbraw/zinc/17/84/88/1126178488.db2.gz CTQQVSPINQMBLA-KRWDZBQOSA-N 0 0 377.387 3.399 20 10 GGCDRN O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001601657818 1126223355 /nfs/dbraw/zinc/22/33/55/1126223355.db2.gz QWGATWSNQXVMFH-HXUWFJFHSA-N 0 0 380.444 3.055 20 10 GGCDRN O=C([O-])[C@@H](Cc1cncs1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001608544805 1126237674 /nfs/dbraw/zinc/23/76/74/1126237674.db2.gz CTUGLIXGGFLKAZ-GOSISDBHSA-N 0 0 384.457 3.213 20 10 GGCDRN Cc1ccc(C)c(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)c1 ZINC000096930801 206301434 /nfs/dbraw/zinc/30/14/34/206301434.db2.gz DKGGRMRXSMPEQQ-GHRIWEEISA-N 0 0 376.547 3.227 20 10 GGCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3cccc[n+]3[O-])c2C)cc1 ZINC000003296180 206467856 /nfs/dbraw/zinc/46/78/56/206467856.db2.gz WDTOIGNDNRFXAC-UHFFFAOYSA-N 0 0 396.468 3.489 20 10 GGCDRN O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1 ZINC000006428265 206651162 /nfs/dbraw/zinc/65/11/62/206651162.db2.gz RGJGIZYSUCKPIQ-UHFFFAOYSA-N 0 0 385.375 3.258 20 10 GGCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCc3ccc(F)cc3)sc2n1 ZINC000010644959 206814809 /nfs/dbraw/zinc/81/48/09/206814809.db2.gz SHAIIKZYGKXGBB-UHFFFAOYSA-N 0 0 387.436 3.108 20 10 GGCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000013614807 206984574 /nfs/dbraw/zinc/98/45/74/206984574.db2.gz CQYMCBGYNJJBJR-WJDWOHSUSA-N 0 0 385.401 3.157 20 10 GGCDRN CN(C)c1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000015135045 207048006 /nfs/dbraw/zinc/04/80/06/207048006.db2.gz RENFUJCUZJQPSN-JLHYYAGUSA-N 0 0 391.515 3.321 20 10 GGCDRN CCOC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000018150413 207093871 /nfs/dbraw/zinc/09/38/71/207093871.db2.gz YVWSEBGNKTUTJT-UHFFFAOYSA-N 0 0 385.420 3.110 20 10 GGCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000024187713 207289563 /nfs/dbraw/zinc/28/95/63/207289563.db2.gz YSFRFBDLWVJYEL-UHFFFAOYSA-N 0 0 389.521 3.177 20 10 GGCDRN Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1C ZINC000025139409 207302012 /nfs/dbraw/zinc/30/20/12/207302012.db2.gz VEOFWKHJCLYLSJ-UHFFFAOYSA-N 0 0 388.533 3.132 20 10 GGCDRN COC(=O)c1cccc(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)c1 ZINC000027076959 207322447 /nfs/dbraw/zinc/32/24/47/207322447.db2.gz RCCARPGWISZCBX-UHFFFAOYSA-N 0 0 377.372 3.359 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000028495549 207342666 /nfs/dbraw/zinc/34/26/66/207342666.db2.gz FSBTYMCXLXRNSH-FQEVSTJZSA-N 0 0 381.476 3.142 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1cccc(F)c1 ZINC000095465458 208188227 /nfs/dbraw/zinc/18/82/27/208188227.db2.gz PWNAQPDMZQCSBA-GFCCVEGCSA-N 0 0 379.815 3.490 20 10 GGCDRN CC(C)c1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000012554924 221205380 /nfs/dbraw/zinc/20/53/80/221205380.db2.gz ASAWDXSZIHTHPW-UHFFFAOYSA-N 0 0 388.533 3.467 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1OC(F)F ZINC000039995688 132392307 /nfs/dbraw/zinc/39/23/07/132392307.db2.gz FMORMNPOXWPFMA-UHFFFAOYSA-N 0 0 376.403 3.397 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC(c2ccccc2)=NO1 ZINC000058455784 136155583 /nfs/dbraw/zinc/15/55/83/136155583.db2.gz ZQGHUKZPJCBOME-HXUWFJFHSA-N 0 0 381.501 3.049 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@@H](C)O1 ZINC000070019532 136165260 /nfs/dbraw/zinc/16/52/60/136165260.db2.gz BHEGEMKHFBEAKT-CHWSQXEVSA-N 0 0 377.847 3.418 20 10 GGCDRN NC(=O)COc1ccc(CN2CCCc3cc(OC(F)(F)F)ccc32)cc1 ZINC000095938956 136182694 /nfs/dbraw/zinc/18/26/94/136182694.db2.gz NJWIKFIQUCWYBU-UHFFFAOYSA-N 0 0 380.366 3.402 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NCc3ccc4c(c3)CCCN4C)ccc21 ZINC000058516835 536396124 /nfs/dbraw/zinc/39/61/24/536396124.db2.gz HGOLNTZNRGBVIW-UHFFFAOYSA-N 0 0 378.520 3.451 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)c(Cl)n1C ZINC000032807272 564406571 /nfs/dbraw/zinc/40/65/71/564406571.db2.gz GIPWLRUXKQERPM-UHFFFAOYSA-N 0 0 382.291 3.441 20 10 GGCDRN Cc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000126850213 564564526 /nfs/dbraw/zinc/56/45/26/564564526.db2.gz LUOZGGMWGCPPQE-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nc(Cl)ccc1Cl ZINC000055523131 564622518 /nfs/dbraw/zinc/62/25/18/564622518.db2.gz HBQKORBVDUTMTD-UHFFFAOYSA-N 0 0 384.238 3.294 20 10 GGCDRN Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000057192370 564662528 /nfs/dbraw/zinc/66/25/28/564662528.db2.gz IREUURNGXADAFE-INIZCTEOSA-N 0 0 380.897 3.007 20 10 GGCDRN COCCn1c(C)cc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1C ZINC000130310615 564676735 /nfs/dbraw/zinc/67/67/35/564676735.db2.gz NFGFIIJUXHBMGT-OQLLNIDSSA-N 0 0 377.491 3.141 20 10 GGCDRN C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131038160 564699593 /nfs/dbraw/zinc/69/95/93/564699593.db2.gz AQELRGZKUSFZKO-CVJBHZAOSA-N 0 0 399.148 3.116 20 10 GGCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(N(C)C)c(F)c2)SC1=S ZINC000069542621 564841515 /nfs/dbraw/zinc/84/15/15/564841515.db2.gz FCQAGYIZQCZPJY-UVTDQMKNSA-N 0 0 382.482 3.046 20 10 GGCDRN Cc1cc(C(=O)N2CCC(O)CC2)c(C)n1-c1cccc(Br)c1 ZINC000071998280 564859279 /nfs/dbraw/zinc/85/92/79/564859279.db2.gz SFEMECQUNXOXQB-UHFFFAOYSA-N 0 0 377.282 3.454 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCNC(=O)C(C)(C)C ZINC000137253291 564860517 /nfs/dbraw/zinc/86/05/17/564860517.db2.gz LIANTOOLUXTGHZ-UHFFFAOYSA-N 0 0 385.302 3.056 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156139207 565075357 /nfs/dbraw/zinc/07/53/57/565075357.db2.gz FZSDRGGZKBYJLI-UHFFFAOYSA-N 0 0 394.269 3.298 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000266516400 565082400 /nfs/dbraw/zinc/08/24/00/565082400.db2.gz IYXVCVATUJRNJS-NSHDSACASA-N 0 0 378.270 3.031 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1C1CC1 ZINC000292042497 565094994 /nfs/dbraw/zinc/09/49/94/565094994.db2.gz DSFUEEHTRQKNNY-UHFFFAOYSA-N 0 0 378.270 3.428 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000266905312 565095346 /nfs/dbraw/zinc/09/53/46/565095346.db2.gz YFLOGGGBKOEIEM-LLVKDONJSA-N 0 0 381.274 3.181 20 10 GGCDRN CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000156613961 565097437 /nfs/dbraw/zinc/09/74/37/565097437.db2.gz KFDYIKCTMOZUMB-KBPBESRZSA-N 0 0 383.279 3.279 20 10 GGCDRN Cc1cnc(Br)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000292112922 565098451 /nfs/dbraw/zinc/09/84/51/565098451.db2.gz SWNQQQQZBYGJOS-SNVBAGLBSA-N 0 0 380.242 3.316 20 10 GGCDRN O=C(c1ccc(Br)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000266955099 565098876 /nfs/dbraw/zinc/09/88/76/565098876.db2.gz VUOCBMMBWWTRMY-OAHLLOKOSA-N 0 0 391.265 3.371 20 10 GGCDRN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156723230 565102712 /nfs/dbraw/zinc/10/27/12/565102712.db2.gz ZUKYLFWMYTXFCT-GWCFXTLKSA-N 0 0 385.295 3.493 20 10 GGCDRN CN(C)c1ccc(CN2CCC(O)(c3scnc3Br)CC2)cc1 ZINC000369705434 565107388 /nfs/dbraw/zinc/10/73/88/565107388.db2.gz XXYJOEJUCYHQEW-UHFFFAOYSA-N 0 0 396.354 3.455 20 10 GGCDRN COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1 ZINC000292359575 565112730 /nfs/dbraw/zinc/11/27/30/565112730.db2.gz QUSDOFHYDCPUPQ-KBVGCWLLSA-N 0 0 377.487 3.381 20 10 GGCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000267418079 565116960 /nfs/dbraw/zinc/11/69/60/565116960.db2.gz VOLFDAYTGJLPJJ-UHFFFAOYSA-N 0 0 381.881 3.284 20 10 GGCDRN Cc1nnsc1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000292861158 565138642 /nfs/dbraw/zinc/13/86/42/565138642.db2.gz VIPAUSZFKLSMFT-UHFFFAOYSA-N 0 0 393.104 3.367 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(Cl)cncc1Cl ZINC000292884868 565139606 /nfs/dbraw/zinc/13/96/06/565139606.db2.gz ZGNSVGLUJZJAGJ-UHFFFAOYSA-N 0 0 380.275 3.497 20 10 GGCDRN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000268371352 565149816 /nfs/dbraw/zinc/14/98/16/565149816.db2.gz YVURLBAMNFNEEG-UHFFFAOYSA-N 0 0 399.563 3.127 20 10 GGCDRN CC[C@@H](O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000268712982 565163611 /nfs/dbraw/zinc/16/36/11/565163611.db2.gz VWMMHOIYRWTANH-POKNLVKOSA-N 0 0 398.575 3.007 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(Cl)cncc1Cl ZINC000293432668 565167586 /nfs/dbraw/zinc/16/75/86/565167586.db2.gz SQDUFFQODOFBKR-UHFFFAOYSA-N 0 0 384.238 3.294 20 10 GGCDRN CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185007288 565171623 /nfs/dbraw/zinc/17/16/23/565171623.db2.gz LCAUGXASXIMENN-LBPRGKRZSA-N 0 0 388.339 3.340 20 10 GGCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(CC(F)(F)F)s2)cc1F ZINC000268965706 565172470 /nfs/dbraw/zinc/17/24/70/565172470.db2.gz XGLYRBCWMFJONA-UHFFFAOYSA-N 0 0 377.367 3.170 20 10 GGCDRN COCCOCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000185136711 565179852 /nfs/dbraw/zinc/17/98/52/565179852.db2.gz BITLQCBWXOLZNA-VIFPVBQESA-N 0 0 397.107 3.231 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293944365 565192030 /nfs/dbraw/zinc/19/20/30/565192030.db2.gz IGYCKGVIRHPPOZ-NSHDSACASA-N 0 0 379.092 3.264 20 10 GGCDRN Cc1cc(Br)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1O ZINC000294025139 565195146 /nfs/dbraw/zinc/19/51/46/565195146.db2.gz NUNJHOSQMKUMON-QGZVFWFLSA-N 0 0 384.314 3.120 20 10 GGCDRN O=S(=O)(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccs1 ZINC000371518003 565197391 /nfs/dbraw/zinc/19/73/91/565197391.db2.gz NZIPPVJVJHMPBQ-UHFFFAOYSA-N 0 0 388.461 3.297 20 10 GGCDRN C[C@@]1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCOC1 ZINC000270155576 565210235 /nfs/dbraw/zinc/21/02/35/565210235.db2.gz RYWHEXRREFCDKU-OJNOIJSXSA-N 0 0 396.559 3.025 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)c3c(Br)cnn3C)cc2)CC1 ZINC000294803941 565229363 /nfs/dbraw/zinc/22/93/63/565229363.db2.gz FHPCMDLMFDVQMH-UHFFFAOYSA-N 0 0 391.313 3.349 20 10 GGCDRN CN1CCCc2cc(CNc3sc(S(C)(=O)=O)cc3[N+](=O)[O-])ccc21 ZINC000271271797 565246083 /nfs/dbraw/zinc/24/60/83/565246083.db2.gz MNKRJTBQZATRNP-UHFFFAOYSA-N 0 0 381.479 3.054 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)c2c(Br)cnn2C)cc1F ZINC000295268785 565256539 /nfs/dbraw/zinc/25/65/39/565256539.db2.gz OHDLWUYTQSCIBI-UHFFFAOYSA-N 0 0 383.265 3.098 20 10 GGCDRN CCOCCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000271555054 565258833 /nfs/dbraw/zinc/25/88/33/565258833.db2.gz NCJBCULWOVMQAW-OWBHPGMISA-N 0 0 398.575 3.224 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c(Br)cnn1C ZINC000295325413 565260287 /nfs/dbraw/zinc/26/02/87/565260287.db2.gz ZFJKMKJKHZUTCL-UHFFFAOYSA-N 0 0 391.313 3.445 20 10 GGCDRN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000186540391 565267196 /nfs/dbraw/zinc/26/71/96/565267196.db2.gz ZEAAZMPOZJBPNQ-PUERIAAYSA-N 0 0 399.148 3.335 20 10 GGCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000271785374 565268658 /nfs/dbraw/zinc/26/86/58/565268658.db2.gz FOTDERLKXTXPGV-RKDXNWHRSA-N 0 0 379.092 3.432 20 10 GGCDRN CC(C)(CCO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000272141428 565278167 /nfs/dbraw/zinc/27/81/67/565278167.db2.gz DOLAGZSRLDTYGC-QBFSEMIESA-N 0 0 398.575 3.007 20 10 GGCDRN COc1cc(N2CCN(Cc3csc(Cl)n3)CC2)cc(OC)c1OC ZINC000295760643 565286253 /nfs/dbraw/zinc/28/62/53/565286253.db2.gz OWVLKHITGISYSN-UHFFFAOYSA-N 0 0 383.901 3.145 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccncc3Br)CC2)cc1 ZINC000272664789 565293348 /nfs/dbraw/zinc/29/33/48/565293348.db2.gz INMFEQPKRAVOBL-UHFFFAOYSA-N 0 0 391.269 3.207 20 10 GGCDRN CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2c(O)ccc3c2CCCC3)s1 ZINC000272840095 565299243 /nfs/dbraw/zinc/29/92/43/565299243.db2.gz MUUMSSQZUGKJAM-UHFFFAOYSA-N 0 0 382.463 3.256 20 10 GGCDRN COC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-])OC ZINC000273401014 565320101 /nfs/dbraw/zinc/32/01/01/565320101.db2.gz GHCFTJVYMBJZTR-SCZZXKLOSA-N 0 0 397.107 3.229 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccnc(Br)c1 ZINC000297102765 565356065 /nfs/dbraw/zinc/35/60/65/565356065.db2.gz WNMFRXNNBYQDLD-UHFFFAOYSA-N 0 0 391.269 3.002 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2cnn(C)c2Br)C2CC2)cc1 ZINC000274204084 565361759 /nfs/dbraw/zinc/36/17/59/565361759.db2.gz MOYGETMUIXRNAH-UHFFFAOYSA-N 0 0 377.286 3.053 20 10 GGCDRN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000274749743 565379599 /nfs/dbraw/zinc/37/95/99/565379599.db2.gz GJMYYYPLOYLARK-PXAZEXFGSA-N 0 0 376.298 3.392 20 10 GGCDRN C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000274749745 565379803 /nfs/dbraw/zinc/37/98/03/565379803.db2.gz GJMYYYPLOYLARK-SJKOYZFVSA-N 0 0 376.298 3.392 20 10 GGCDRN CC[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)ccc1O ZINC000274770660 565380589 /nfs/dbraw/zinc/38/05/89/565380589.db2.gz MNYKGTMPOVRUFE-HNNXBMFYSA-N 0 0 393.285 3.193 20 10 GGCDRN CC[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc(Br)ccc1O ZINC000274770662 565380602 /nfs/dbraw/zinc/38/06/02/565380602.db2.gz MNYKGTMPOVRUFE-OAHLLOKOSA-N 0 0 393.285 3.193 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(Cl)c3)cc2)CC1 ZINC000188123898 565381420 /nfs/dbraw/zinc/38/14/20/565381420.db2.gz BOWNMTGWFZKNHR-UHFFFAOYSA-N 0 0 377.897 3.000 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)cc1 ZINC000170648950 565384914 /nfs/dbraw/zinc/38/49/14/565384914.db2.gz GBUUIHMWTIGMDR-UHFFFAOYSA-N 0 0 377.535 3.030 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Br)n1 ZINC000276139092 565437810 /nfs/dbraw/zinc/43/78/10/565437810.db2.gz OATOQKVQJUZHMX-UHFFFAOYSA-N 0 0 391.269 3.002 20 10 GGCDRN COCC[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000299688942 565459216 /nfs/dbraw/zinc/45/92/16/565459216.db2.gz QYGZUZHMWMQOTM-PBBNAPBQSA-N 0 0 398.575 3.271 20 10 GGCDRN COc1ccc(O)c([C@H](C)Nc2ncnc3c2c(Br)nn3C)c1 ZINC000301189604 565470483 /nfs/dbraw/zinc/47/04/83/565470483.db2.gz LATLTXXJOXFELF-QMMMGPOBSA-N 0 0 378.230 3.013 20 10 GGCDRN COc1ccc(O)c([C@@H](C)Nc2ncnc3c2c(Br)nn3C)c1 ZINC000301189603 565470597 /nfs/dbraw/zinc/47/05/97/565470597.db2.gz LATLTXXJOXFELF-MRVPVSSYSA-N 0 0 378.230 3.013 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2cc(Br)nn2C)C2CC2)cc1 ZINC000277155001 565478670 /nfs/dbraw/zinc/47/86/70/565478670.db2.gz DLASYZMNEFNQPA-UHFFFAOYSA-N 0 0 377.286 3.053 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277169650 565479946 /nfs/dbraw/zinc/47/99/46/565479946.db2.gz RTVDGPCLSSWKIR-SNVBAGLBSA-N 0 0 384.841 3.208 20 10 GGCDRN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000377651378 565491648 /nfs/dbraw/zinc/49/16/48/565491648.db2.gz ZPUCLTGFMPIJCT-CYBMUJFWSA-N 0 0 380.275 3.166 20 10 GGCDRN COc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)cc1 ZINC000301578325 565497695 /nfs/dbraw/zinc/49/76/95/565497695.db2.gz ZJXKWWBKMYMPPP-UHFFFAOYSA-N 0 0 393.241 3.088 20 10 GGCDRN Cc1nc(CCNC(=O)NCc2cccc(Br)c2O)sc1C ZINC000277615685 565509606 /nfs/dbraw/zinc/50/96/06/565509606.db2.gz WAKUPWCBNRSGGW-UHFFFAOYSA-N 0 0 384.299 3.270 20 10 GGCDRN Oc1ccc(Br)cc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000378341256 565522246 /nfs/dbraw/zinc/52/22/46/565522246.db2.gz KKCOZAFLMDXIAL-UHFFFAOYSA-N 0 0 399.292 3.353 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccnc(OC)c1 ZINC000173678949 565575615 /nfs/dbraw/zinc/57/56/15/565575615.db2.gz XYIVIMHPAIONRK-UHFFFAOYSA-N 0 0 394.269 3.290 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCc1c[nH]nc1C ZINC000174038195 565608894 /nfs/dbraw/zinc/60/88/94/565608894.db2.gz CKMQMKQBMBVJLA-UHFFFAOYSA-N 0 0 395.301 3.351 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1ccccn1 ZINC000174038494 565609214 /nfs/dbraw/zinc/60/92/14/565609214.db2.gz WCHPTNBIHBMCDT-UHFFFAOYSA-N 0 0 378.270 3.324 20 10 GGCDRN COc1cc(Br)cc(CN2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191737963 565627559 /nfs/dbraw/zinc/62/75/59/565627559.db2.gz ZUHKXYAARBLANI-AWEZNQCLSA-N 0 0 398.326 3.187 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/N=c1\cc[nH]n1C(C)C ZINC000174577303 565644031 /nfs/dbraw/zinc/64/40/31/565644031.db2.gz FJQAIIZEJIVGIV-XDJHFCHBSA-N 0 0 381.274 3.408 20 10 GGCDRN Cc1c(C(=O)NCc2cccc(Br)c2O)nnn1CC1CCCC1 ZINC000280042853 565648508 /nfs/dbraw/zinc/64/85/08/565648508.db2.gz GOLUCGHLOIWHQC-UHFFFAOYSA-N 0 0 393.285 3.175 20 10 GGCDRN O=C(c1ccc(NCc2cc(Br)ccc2O)cc1)N1CCOCC1 ZINC000280637154 565685701 /nfs/dbraw/zinc/68/57/01/565685701.db2.gz HYCQAOSPMYQUCY-UHFFFAOYSA-N 0 0 391.265 3.239 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000175459488 565700580 /nfs/dbraw/zinc/70/05/80/565700580.db2.gz SXROWTKOOZGJGE-UHFFFAOYSA-N 0 0 394.269 3.390 20 10 GGCDRN CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000192648852 565704203 /nfs/dbraw/zinc/70/42/03/565704203.db2.gz UTLCVNKAIZIGIF-JTQLQIEISA-N 0 0 381.325 3.164 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000192998218 565723235 /nfs/dbraw/zinc/72/32/35/565723235.db2.gz PAQFDWRJABMHHI-OAHLLOKOSA-N 0 0 378.222 3.074 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000192998208 565723764 /nfs/dbraw/zinc/72/37/64/565723764.db2.gz PAQFDWRJABMHHI-HNNXBMFYSA-N 0 0 378.222 3.074 20 10 GGCDRN Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cc(Cl)c(Cl)cc3[O-])C2=O)n(C)n1 ZINC000193010727 565725013 /nfs/dbraw/zinc/72/50/13/565725013.db2.gz LVKZIUFXBUJCSL-QMTHXVAHSA-N 0 0 383.279 3.197 20 10 GGCDRN O=C(c1ncccc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000193649796 565767931 /nfs/dbraw/zinc/76/79/31/565767931.db2.gz WEBXKWRDADPJQC-CQSZACIVSA-N 0 0 391.265 3.371 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000282563960 565786059 /nfs/dbraw/zinc/78/60/59/565786059.db2.gz RNEHDFOMKHTHKN-MRXNPFEDSA-N 0 0 380.897 3.007 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCCS(C)(=O)=O)cc2Cl)C1 ZINC000282606973 565788501 /nfs/dbraw/zinc/78/85/01/565788501.db2.gz IYBAVOIAUVORSR-CQSZACIVSA-N 0 0 386.945 3.017 20 10 GGCDRN O=S(=O)(C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1)N1CCCC1 ZINC000282837894 565799413 /nfs/dbraw/zinc/79/94/13/565799413.db2.gz VIQSDISNEDQBSG-UHFFFAOYSA-N 0 0 393.336 3.089 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000282845281 565799609 /nfs/dbraw/zinc/79/96/09/565799609.db2.gz SRWCJAZDRJESHS-LBPRGKRZSA-N 0 0 392.297 3.042 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)c(Cl)[nH]1 ZINC000176984896 565820396 /nfs/dbraw/zinc/82/03/96/565820396.db2.gz BJKXAWNTFVCLPO-UHFFFAOYSA-N 0 0 386.254 3.352 20 10 GGCDRN C[C@@H](C[S@@](C)=O)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000283515202 565820796 /nfs/dbraw/zinc/82/07/96/565820796.db2.gz MSNUGRMCIDGQSC-PJGQNWHFSA-N 0 0 385.961 3.143 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3ccc(Br)o3)CC2)cc1F ZINC000177282763 565842057 /nfs/dbraw/zinc/84/20/57/565842057.db2.gz ZELMHAGWBCOGOH-UHFFFAOYSA-N 0 0 383.217 3.152 20 10 GGCDRN O=C1/C(=C/c2cc(Cl)cs2)SC(=S)N1CCCN1CCOCC1 ZINC000195220371 565867132 /nfs/dbraw/zinc/86/71/32/565867132.db2.gz QALOCNWJWKBFIS-LCYFTJDESA-N 0 0 388.967 3.325 20 10 GGCDRN Cc1c(Cl)cccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000195378814 565878852 /nfs/dbraw/zinc/87/88/52/565878852.db2.gz ZDGXSISRGRPDIT-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN CN(C)S(=O)(=O)CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000285189137 565893985 /nfs/dbraw/zinc/89/39/85/565893985.db2.gz OKRNMSQJYOGZRQ-UHFFFAOYSA-N 0 0 393.456 3.096 20 10 GGCDRN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1[O-] ZINC000286858553 565983687 /nfs/dbraw/zinc/98/36/87/565983687.db2.gz ADERXDWZROPUNW-QGZVFWFLSA-N 0 0 383.897 3.053 20 10 GGCDRN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1[O-] ZINC000286858552 565983871 /nfs/dbraw/zinc/98/38/71/565983871.db2.gz ADERXDWZROPUNW-KRWDZBQOSA-N 0 0 383.897 3.053 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[NH+]1CCC(CO)CC1 ZINC000179668509 565999280 /nfs/dbraw/zinc/99/92/80/565999280.db2.gz SUMZTVDQNVNGGS-UHFFFAOYSA-N 0 0 379.092 3.122 20 10 GGCDRN CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287270115 566008020 /nfs/dbraw/zinc/00/80/20/566008020.db2.gz AXSUNYALSYEFGP-IINYFYTJSA-N 0 0 381.325 3.021 20 10 GGCDRN CC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287265531 566008027 /nfs/dbraw/zinc/00/80/27/566008027.db2.gz AQTCZWUFIULSRU-DOMZBBRYSA-N 0 0 377.794 3.270 20 10 GGCDRN C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858970 566024574 /nfs/dbraw/zinc/02/45/74/566024574.db2.gz RXDBHCUOWJCNNT-BMIGLBTASA-N 0 0 398.276 3.211 20 10 GGCDRN C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858984 566024918 /nfs/dbraw/zinc/02/49/18/566024918.db2.gz RXDBHCUOWJCNNT-MEBBXXQBSA-N 0 0 398.276 3.211 20 10 GGCDRN Cc1ccc(N(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)cc1Br ZINC000364119726 566034261 /nfs/dbraw/zinc/03/42/61/566034261.db2.gz GLAHIAWUWLENCV-UHFFFAOYSA-N 0 0 388.269 3.168 20 10 GGCDRN CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287745557 566037115 /nfs/dbraw/zinc/03/71/15/566037115.db2.gz PYIZCTGEUVQFIG-RISCZKNCSA-N 0 0 385.295 3.493 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cnn(CC)c1 ZINC000288004361 566052171 /nfs/dbraw/zinc/05/21/71/566052171.db2.gz BEUBEIRNMJDLON-UHFFFAOYSA-N 0 0 381.274 3.103 20 10 GGCDRN C[N@@H+](Cc1cc(Br)cc(Br)c1[O-])C[C@H]1CCOC1 ZINC000180623798 566078025 /nfs/dbraw/zinc/07/80/25/566078025.db2.gz DHILVDUBTCQAFP-SECBINFHSA-N 0 0 379.092 3.386 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)NCCCn1cc(Br)cn1 ZINC000288855345 566094081 /nfs/dbraw/zinc/09/40/81/566094081.db2.gz OVBDRIVIRYYYAI-UHFFFAOYSA-N 0 0 395.301 3.363 20 10 GGCDRN CN1C(=O)/C(=C\c2nccn2CC(F)(F)F)c2cc(Br)cnc21 ZINC000366427638 566151834 /nfs/dbraw/zinc/15/18/34/566151834.db2.gz HILPHRNIYLJMIC-YHYXMXQVSA-N 0 0 387.159 3.120 20 10 GGCDRN COc1cccc(CN2CCC(O)(c3scnc3Br)CC2)c1O ZINC000366786623 566170124 /nfs/dbraw/zinc/17/01/24/566170124.db2.gz XTLPTAPLVSFVFZ-UHFFFAOYSA-N 0 0 399.310 3.103 20 10 GGCDRN Oc1ccc(F)cc1CN1CCC(O)(c2scnc2Br)CC1 ZINC000366777819 566170259 /nfs/dbraw/zinc/17/02/59/566170259.db2.gz OOMKGJPCAPGCQS-UHFFFAOYSA-N 0 0 387.274 3.234 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000366965634 566179535 /nfs/dbraw/zinc/17/95/35/566179535.db2.gz GXLYCTBGICVGOZ-CQSZACIVSA-N 0 0 392.297 3.357 20 10 GGCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cncc(Br)c1 ZINC000466992431 566615100 /nfs/dbraw/zinc/61/51/00/566615100.db2.gz CQOBOOREDHBXQI-WZUFQYTHSA-N 0 0 399.204 3.407 20 10 GGCDRN NC(=O)Cc1occc1C(=O)N1CC2(CCC2)c2cc(Br)ccc21 ZINC000584797012 567070349 /nfs/dbraw/zinc/07/03/49/567070349.db2.gz VKCJAKNUUHDALA-UHFFFAOYSA-N 0 0 389.249 3.152 20 10 GGCDRN CCN(Cc1coc(S(C)(=O)=O)c1)Cc1cc(Br)ccc1O ZINC000528393110 567418753 /nfs/dbraw/zinc/41/87/53/567418753.db2.gz IOJDRQICOGYWCL-UHFFFAOYSA-N 0 0 388.283 3.173 20 10 GGCDRN CN(Cc1nc(Cc2ccccc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000048236888 570222543 /nfs/dbraw/zinc/22/25/43/570222543.db2.gz UFZANZGAUNREKL-UHFFFAOYSA-N 0 0 378.476 3.129 20 10 GGCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccc4[nH]cnc4c3)cc2F)C[C@H](C)O1 ZINC000048356584 570242643 /nfs/dbraw/zinc/24/26/43/570242643.db2.gz ZVQDKPIUTXRFJH-KBPBESRZSA-N 0 0 382.439 3.246 20 10 GGCDRN O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NC(=O)NC1CC1 ZINC000011647893 570246144 /nfs/dbraw/zinc/24/61/44/570246144.db2.gz FLYFDXCACPXNSL-UHFFFAOYSA-N 0 0 396.472 3.272 20 10 GGCDRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000054035819 570438075 /nfs/dbraw/zinc/43/80/75/570438075.db2.gz SCAUHEWZNFRCJO-YWZLYKJASA-N 0 0 384.501 3.085 20 10 GGCDRN CCc1ccc(N2C[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)CC2=O)cc1 ZINC000072303732 570514623 /nfs/dbraw/zinc/51/46/23/570514623.db2.gz OHDDZBGHWCLHEB-KRWDZBQOSA-N 0 0 393.487 3.094 20 10 GGCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)no3)c2C)cc1 ZINC000006831484 570634821 /nfs/dbraw/zinc/63/48/21/570634821.db2.gz NZVPIIZVVSYYRM-UHFFFAOYSA-N 0 0 396.399 3.217 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000007105638 570789442 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COCCOc1ccc(Cl)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000177628221 1428815994 /nfs/dbraw/zinc/81/59/94/1428815994.db2.gz COGRUINIFAZTPK-UHFFFAOYSA-N 0 0 390.867 3.470 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122754699 1414557258 /nfs/dbraw/zinc/55/72/58/1414557258.db2.gz CAIHOOFUSAXNBQ-UHFFFAOYSA-N 0 0 399.191 3.030 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1F ZINC000122774694 1414561138 /nfs/dbraw/zinc/56/11/38/1414561138.db2.gz CAAPWUKWYPPTHJ-UHFFFAOYSA-N 0 0 398.438 3.073 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(F)cc3OC)CC2)cc1F ZINC000122801991 1414568725 /nfs/dbraw/zinc/56/87/25/1414568725.db2.gz VYTBEUTXYDQONO-UHFFFAOYSA-N 0 0 377.391 3.336 20 10 GGCDRN C[C@H](C1CC1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000122835594 1414577216 /nfs/dbraw/zinc/57/72/16/1414577216.db2.gz SZULZXCKBKQLPU-CYBMUJFWSA-N 0 0 385.430 3.482 20 10 GGCDRN CC(C)(C)c1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000122847469 1414579309 /nfs/dbraw/zinc/57/93/09/1414579309.db2.gz LCADNVQWYSZSIT-UHFFFAOYSA-N 0 0 386.517 3.471 20 10 GGCDRN CCC[C@@](C)(CO)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000122878914 1414587730 /nfs/dbraw/zinc/58/77/30/1414587730.db2.gz XRHNWKSSDSTVSD-LIRRHRJNSA-N 0 0 385.455 3.107 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000122911990 1414595017 /nfs/dbraw/zinc/59/50/17/1414595017.db2.gz VICKJPBTYPDKCJ-UHFFFAOYSA-N 0 0 391.349 3.275 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000122965204 1414608400 /nfs/dbraw/zinc/60/84/00/1414608400.db2.gz UKOYZOLZQSLWRR-UHFFFAOYSA-N 0 0 388.533 3.137 20 10 GGCDRN CN(Cc1cccc(F)c1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000122967157 1414608810 /nfs/dbraw/zinc/60/88/10/1414608810.db2.gz PTGMJJYOJYXTCA-UHFFFAOYSA-N 0 0 375.419 3.143 20 10 GGCDRN C[C@@H]1Cc2ccccc2N1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000122991643 1414614793 /nfs/dbraw/zinc/61/47/93/1414614793.db2.gz GCJKKSJXHSUQEU-OAHLLOKOSA-N 0 0 383.467 3.448 20 10 GGCDRN COc1ccc([C@H](CCO)NC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000123025118 1414622181 /nfs/dbraw/zinc/62/21/81/1414622181.db2.gz LJBWLLBQYAEQOK-FQEVSTJZSA-N 0 0 379.460 3.351 20 10 GGCDRN C[C@H](NC(=O)c1csc([C@H]2CCCO2)n1)c1ccc(N2CCOCC2)cc1 ZINC000123201068 1414666876 /nfs/dbraw/zinc/66/68/76/1414666876.db2.gz UYUFGCSNTMWYPB-KBXCAEBGSA-N 0 0 387.505 3.322 20 10 GGCDRN Cc1nc(CCCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000177664208 1428826976 /nfs/dbraw/zinc/82/69/76/1428826976.db2.gz SVDUHJKFZFFOHQ-UHFFFAOYSA-N 0 0 391.512 3.191 20 10 GGCDRN Cn1cc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cn1 ZINC000123351507 1414704062 /nfs/dbraw/zinc/70/40/62/1414704062.db2.gz KSRFPDWTAIZZCH-QGZVFWFLSA-N 0 0 382.489 3.438 20 10 GGCDRN Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c(O)c1O ZINC000177676237 1428831203 /nfs/dbraw/zinc/83/12/03/1428831203.db2.gz ZOCVZJQPNJBVSN-OAHLLOKOSA-N 0 0 392.249 3.382 20 10 GGCDRN CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1)c1ccccc1 ZINC000177677831 1428831751 /nfs/dbraw/zinc/83/17/51/1428831751.db2.gz UMILSQYXGIHAJD-GOSISDBHSA-N 0 0 396.487 3.321 20 10 GGCDRN CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1)c1ccccc1 ZINC000177677820 1428831964 /nfs/dbraw/zinc/83/19/64/1428831964.db2.gz UMILSQYXGIHAJD-SFHVURJKSA-N 0 0 396.487 3.321 20 10 GGCDRN COc1cccc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000123458863 1414738861 /nfs/dbraw/zinc/73/88/61/1414738861.db2.gz LCAHCQBQQLXJDJ-KRWDZBQOSA-N 0 0 383.492 3.135 20 10 GGCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)C[C@H]2COC(=O)C2)cc1 ZINC000123459426 1414739148 /nfs/dbraw/zinc/73/91/48/1414739148.db2.gz ATKWUIOJIDIDCT-QGZVFWFLSA-N 0 0 382.460 3.248 20 10 GGCDRN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1nc(-c2cccnc2)no1 ZINC000123649160 1414803357 /nfs/dbraw/zinc/80/33/57/1414803357.db2.gz GOOIJGASLWQYSK-HZPDHXFCSA-N 0 0 379.464 3.380 20 10 GGCDRN C[C@@H](N[C@@H](C)c1nc(-c2cccnc2)no1)c1ccc(N2CCOCC2)cc1 ZINC000123648670 1414803598 /nfs/dbraw/zinc/80/35/98/1414803598.db2.gz GOOIJGASLWQYSK-CVEARBPZSA-N 0 0 379.464 3.380 20 10 GGCDRN Cc1c(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000123683078 1414809459 /nfs/dbraw/zinc/80/94/59/1414809459.db2.gz UVDOMWKYIGKYMP-UHFFFAOYSA-N 0 0 384.436 3.404 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)cc1F ZINC000123771174 1414822252 /nfs/dbraw/zinc/82/22/52/1414822252.db2.gz WHMBZHSIAIDZJH-UHFFFAOYSA-N 0 0 395.438 3.374 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)cc1F ZINC000177710451 1428839462 /nfs/dbraw/zinc/83/94/62/1428839462.db2.gz QUIAESZLNHAJSC-ZDUSSCGKSA-N 0 0 393.409 3.262 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000123829624 1414830722 /nfs/dbraw/zinc/83/07/22/1414830722.db2.gz DCMIGIQHNHAQGH-HKBOAZHASA-N 0 0 399.535 3.012 20 10 GGCDRN CC(C)C(=O)NCCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000123834152 1414831476 /nfs/dbraw/zinc/83/14/76/1414831476.db2.gz JAGSFMJKJDFOON-UHFFFAOYSA-N 0 0 388.556 3.417 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000123853892 1414835588 /nfs/dbraw/zinc/83/55/88/1414835588.db2.gz AJYXEDONXYNBKR-HXUWFJFHSA-N 0 0 386.540 3.218 20 10 GGCDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1c(O)cccc1Cl ZINC000123989935 1414863858 /nfs/dbraw/zinc/86/38/58/1414863858.db2.gz HSOVRZXVXYWLPJ-UHFFFAOYSA-N 0 0 389.883 3.054 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)Cc3c(C)nn(C(F)F)c3C)CC2)cc1 ZINC000124209297 1414909239 /nfs/dbraw/zinc/90/92/39/1414909239.db2.gz JXMNZXIISOMOQY-UHFFFAOYSA-N 0 0 392.450 3.185 20 10 GGCDRN COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(F)cc(C(C)=O)c1O ZINC000124307028 1414935231 /nfs/dbraw/zinc/93/52/31/1414935231.db2.gz YFUZGEPSJJXGAV-KRWDZBQOSA-N 0 0 399.340 3.497 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000124389259 1414955804 /nfs/dbraw/zinc/95/58/04/1414955804.db2.gz GOFBSMQURWCZAJ-HBMCJLEFSA-N 0 0 399.535 3.311 20 10 GGCDRN COc1ccccc1[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000124439186 1414968817 /nfs/dbraw/zinc/96/88/17/1414968817.db2.gz KPMUXSDVAUUQKD-LJQANCHMSA-N 0 0 395.503 3.231 20 10 GGCDRN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000177760984 1428852290 /nfs/dbraw/zinc/85/22/90/1428852290.db2.gz UNWDHVPOHKFHSS-UHFFFAOYSA-N 0 0 398.941 3.100 20 10 GGCDRN CN(c1ccc(CNC(=O)CSc2cccc[n+]2[O-])cc1)C1CCCCC1 ZINC000124480836 1414977749 /nfs/dbraw/zinc/97/77/49/1414977749.db2.gz JCLCDPDHZFQDAJ-UHFFFAOYSA-N 0 0 385.533 3.497 20 10 GGCDRN CN(c1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1)C1CCCCC1 ZINC000124481150 1414978286 /nfs/dbraw/zinc/97/82/86/1414978286.db2.gz NASMSOGHOVKRCT-UHFFFAOYSA-N 0 0 390.491 3.361 20 10 GGCDRN O=C(NCCCSc1nccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000177762186 1428852859 /nfs/dbraw/zinc/85/28/59/1428852859.db2.gz POOQAJSYDCCRME-UHFFFAOYSA-N 0 0 389.424 3.399 20 10 GGCDRN CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000177773958 1428855811 /nfs/dbraw/zinc/85/58/11/1428855811.db2.gz HBHRINLOSWMOCP-FQEVSTJZSA-N 0 0 380.492 3.090 20 10 GGCDRN CCOc1ccc(Cl)cc1CCNC(=O)NCc1cc(OC)ccc1O ZINC000124743253 1415034199 /nfs/dbraw/zinc/03/41/99/1415034199.db2.gz QKJROIHUNIMRSR-UHFFFAOYSA-N 0 0 378.856 3.495 20 10 GGCDRN CCCn1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C1CC1 ZINC000124784075 1415043338 /nfs/dbraw/zinc/04/33/38/1415043338.db2.gz VGZZAFMEGURTFD-UHFFFAOYSA-N 0 0 386.471 3.076 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(N2CCCC2=O)cc1 ZINC000124835280 1415054996 /nfs/dbraw/zinc/05/49/96/1415054996.db2.gz GXEHFIPQGVENES-UHFFFAOYSA-N 0 0 390.487 3.189 20 10 GGCDRN COc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000124877051 1415064940 /nfs/dbraw/zinc/06/49/40/1415064940.db2.gz RQYBOQQVYYWXBR-UHFFFAOYSA-N 0 0 395.503 3.495 20 10 GGCDRN C[C@H](NC(=O)C1=Cc2cc(F)ccc2OC1)c1ccc(N2CCOCC2)cc1 ZINC000124982627 1415086243 /nfs/dbraw/zinc/08/62/43/1415086243.db2.gz LRYYYHRLOUWABN-HNNXBMFYSA-N 0 0 382.435 3.316 20 10 GGCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2OC2CCCC2)cc1 ZINC000124992608 1415088106 /nfs/dbraw/zinc/08/81/06/1415088106.db2.gz VUZBWEDEHWTEKK-UHFFFAOYSA-N 0 0 381.476 3.329 20 10 GGCDRN COCCN(Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000125058498 1415101257 /nfs/dbraw/zinc/10/12/57/1415101257.db2.gz TVECMQQQNQLTRG-IBGZPJMESA-N 0 0 397.519 3.442 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NCc3cc(F)ccc3F)CC2)cc1F ZINC000125115354 1415112310 /nfs/dbraw/zinc/11/23/10/1415112310.db2.gz XHUAUQLNUNQICX-UHFFFAOYSA-N 0 0 379.382 3.144 20 10 GGCDRN O=C(Cn1cnc(-c2ccccc2)n1)N(Cc1ccco1)Cc1ccccc1O ZINC000125187784 1415126400 /nfs/dbraw/zinc/12/64/00/1415126400.db2.gz UYILFMHYGMRLEK-UHFFFAOYSA-N 0 0 388.427 3.473 20 10 GGCDRN CC(C)Oc1ncccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000125216764 1415132517 /nfs/dbraw/zinc/13/25/17/1415132517.db2.gz GDJCJDMRUAMHMI-UHFFFAOYSA-N 0 0 384.480 3.369 20 10 GGCDRN O=C(NCc1cc2ccccc2[nH]1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000125244778 1415138891 /nfs/dbraw/zinc/13/88/91/1415138891.db2.gz RTHJGXWJQHVVSC-UHFFFAOYSA-N 0 0 396.466 3.268 20 10 GGCDRN O=C(C1CCN(c2cnccn2)CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000125280176 1415151104 /nfs/dbraw/zinc/15/11/04/1415151104.db2.gz QWURXCFYVANKRT-UHFFFAOYSA-N 0 0 392.459 3.221 20 10 GGCDRN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000125285194 1415152060 /nfs/dbraw/zinc/15/20/60/1415152060.db2.gz ZNPWIBAFLHGUBZ-UHFFFAOYSA-N 0 0 385.441 3.231 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccncc1F ZINC000125290225 1415153843 /nfs/dbraw/zinc/15/38/43/1415153843.db2.gz CBPOYPSTYLMURY-UHFFFAOYSA-N 0 0 383.345 3.006 20 10 GGCDRN O=C(NCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccsc1 ZINC000125347970 1415171655 /nfs/dbraw/zinc/17/16/55/1415171655.db2.gz CYHOXBWWCSWYGU-UHFFFAOYSA-N 0 0 384.457 3.396 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(F)c(F)cc(F)c1F ZINC000177870662 1428878786 /nfs/dbraw/zinc/87/87/86/1428878786.db2.gz MSTJPOOJXFFMKW-UHFFFAOYSA-N 0 0 396.384 3.382 20 10 GGCDRN O=C(NC[C@@H]1CCCS1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000125524152 1415220180 /nfs/dbraw/zinc/22/01/80/1415220180.db2.gz SVQQGLMJEVSDSZ-INIZCTEOSA-N 0 0 385.480 3.452 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1CN(CCC)C2 ZINC000125731032 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GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]nc1-c1cccc(Cl)c1 ZINC000125805278 1415285716 /nfs/dbraw/zinc/28/57/16/1415285716.db2.gz XJGNYLUZQUOMIG-UHFFFAOYSA-N 0 0 396.878 3.497 20 10 GGCDRN COc1ccc(C[C@H](C)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000125805911 1415286330 /nfs/dbraw/zinc/28/63/30/1415286330.db2.gz UJVXDLAYFHGHOH-SFHVURJKSA-N 0 0 382.504 3.369 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]nc1-c1ccccc1Cl ZINC000125808758 1415286869 /nfs/dbraw/zinc/28/68/69/1415286869.db2.gz BJBCRAHSJGTASX-UHFFFAOYSA-N 0 0 396.878 3.497 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(OC)cc1F ZINC000125812752 1415287550 /nfs/dbraw/zinc/28/75/50/1415287550.db2.gz BHENUUKJMNSVJI-UHFFFAOYSA-N 0 0 378.375 3.056 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000125823981 1415290587 /nfs/dbraw/zinc/29/05/87/1415290587.db2.gz YTZZLEHZIUARSR-UHFFFAOYSA-N 0 0 378.375 3.371 20 10 GGCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3c(C)noc3C)CC2)cc1F ZINC000125835766 1415293519 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GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000151606497 1418038529 /nfs/dbraw/zinc/03/85/29/1418038529.db2.gz MVIKQPCQQNBLSP-UHFFFAOYSA-N 0 0 377.448 3.235 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3c(C)onc3-c3ccccn3)CC2)cc1F ZINC000151648320 1418049412 /nfs/dbraw/zinc/04/94/12/1418049412.db2.gz VTBWKFUDXAXXRO-UHFFFAOYSA-N 0 0 396.422 3.155 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)c2C)cc1 ZINC000151741908 1418076021 /nfs/dbraw/zinc/07/60/21/1418076021.db2.gz VCHHRDBXTKTQDK-LEWJYISDSA-N 0 0 384.476 3.123 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000151785585 1418086586 /nfs/dbraw/zinc/08/65/86/1418086586.db2.gz WSDKSQZYVPPIDW-IBGZPJMESA-N 0 0 386.540 3.075 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCc3ccnc(OC(C)C)c3)CC2)cc1 ZINC000151821711 1418095073 /nfs/dbraw/zinc/09/50/73/1418095073.db2.gz YDCJZSRTLOBDSI-UHFFFAOYSA-N 0 0 398.507 3.299 20 10 GGCDRN Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)cn2)c(C)n1-c1ccccn1 ZINC000151827979 1418095912 /nfs/dbraw/zinc/09/59/12/1418095912.db2.gz FCXLFNFHZAVXST-UHFFFAOYSA-N 0 0 375.432 3.263 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3COc4ccc(C)cc43)CC2)cc1 ZINC000152091788 1418142826 /nfs/dbraw/zinc/14/28/26/1418142826.db2.gz WDWHDWWGDFJQQI-FQEVSTJZSA-N 0 0 381.476 3.405 20 10 GGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCSCC3)cc1)CO2 ZINC000152113121 1418148313 /nfs/dbraw/zinc/14/83/13/1418148313.db2.gz JTEVXDXVYHTGOC-IBGZPJMESA-N 0 0 383.517 3.481 20 10 GGCDRN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CO2 ZINC000152187690 1418168772 /nfs/dbraw/zinc/16/87/72/1418168772.db2.gz MMIQLRZKLKLVBY-IBGZPJMESA-N 0 0 399.466 3.028 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2ccc(F)cc2c1 ZINC000179003064 1429240243 /nfs/dbraw/zinc/24/02/43/1429240243.db2.gz DGGFZYMFUUKHMJ-UHFFFAOYSA-N 0 0 383.398 3.280 20 10 GGCDRN O=C1C[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])CN1Cc1ccccc1 ZINC000179052899 1429251018 /nfs/dbraw/zinc/25/10/18/1429251018.db2.gz KVTPBPUDKOHVRI-HNNXBMFYSA-N 0 0 389.293 3.293 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3ccnc(OCC(F)F)c3)CC2)cc1 ZINC000179034230 1429247015 /nfs/dbraw/zinc/24/70/15/1429247015.db2.gz NUKDLWKCDZGSET-UHFFFAOYSA-N 0 0 391.418 3.087 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000179098882 1429262442 /nfs/dbraw/zinc/26/24/42/1429262442.db2.gz JGDDLABSBFQGFJ-UHFFFAOYSA-N 0 0 376.504 3.251 20 10 GGCDRN Cc1cc(C(=O)N2CCc3nc[nH]c(=O)c3C2)c(C)n1-c1cccc(Cl)c1 ZINC000179113398 1429266753 /nfs/dbraw/zinc/26/67/53/1429266753.db2.gz XAMBBQOFQDETQC-UHFFFAOYSA-N 0 0 382.851 3.029 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179380587 1429351085 /nfs/dbraw/zinc/35/10/85/1429351085.db2.gz BXDXVGVFTAIGRU-UHFFFAOYSA-N 0 0 391.431 3.311 20 10 GGCDRN Cc1ccc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(O)c1O ZINC000179391815 1429355911 /nfs/dbraw/zinc/35/59/11/1429355911.db2.gz OKICATGEYNUYGH-UHFFFAOYSA-N 0 0 378.831 3.157 20 10 GGCDRN COc1ccc([C@H](CO)N(C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000179418308 1429367046 /nfs/dbraw/zinc/36/70/46/1429367046.db2.gz FRHHIASCEUBVLW-NRFANRHFSA-N 0 0 383.492 3.170 20 10 GGCDRN COc1ccc([C@H](CCO)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000179418288 1429367124 /nfs/dbraw/zinc/36/71/24/1429367124.db2.gz PCBYXCAXDKKXAU-NRFANRHFSA-N 0 0 383.492 3.218 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](CCO)c2ccc(OC)cc2)cc1 ZINC000179426706 1429371162 /nfs/dbraw/zinc/37/11/62/1429371162.db2.gz BIDCHZYZSWHLSB-NRFANRHFSA-N 0 0 385.508 3.464 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000179426734 1429371224 /nfs/dbraw/zinc/37/12/24/1429371224.db2.gz DKPBSUGZTMZNHG-NRFANRHFSA-N 0 0 385.508 3.416 20 10 GGCDRN Cc1ccc(C(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c(O)c1O ZINC000179433431 1429374448 /nfs/dbraw/zinc/37/44/48/1429374448.db2.gz POSWKZCZQBZDQH-UHFFFAOYSA-N 0 0 382.338 3.259 20 10 GGCDRN CCCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000179450719 1429380899 /nfs/dbraw/zinc/38/08/99/1429380899.db2.gz JXYLBPJQVPLPFI-UHFFFAOYSA-N 0 0 381.476 3.331 20 10 GGCDRN Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c(O)c1O ZINC000179463817 1429384145 /nfs/dbraw/zinc/38/41/45/1429384145.db2.gz MYPMOYZCEMSTBD-SFHVURJKSA-N 0 0 384.476 3.294 20 10 GGCDRN CN1C(=O)CCc2cc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)ccc21 ZINC000179504528 1429399923 /nfs/dbraw/zinc/39/99/23/1429399923.db2.gz GHEKLNMITVOHKQ-LJQANCHMSA-N 0 0 394.471 3.123 20 10 GGCDRN COCc1nc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000179504419 1429399992 /nfs/dbraw/zinc/39/99/92/1429399992.db2.gz DGHGTRNBIJLLPN-OAHLLOKOSA-N 0 0 376.478 3.125 20 10 GGCDRN COc1ccc(N2CCCN(S(=O)(=O)Cc3c(F)cccc3F)CC2)cc1 ZINC000179518925 1429406874 /nfs/dbraw/zinc/40/68/74/1429406874.db2.gz ULVBIEXSXATECS-UHFFFAOYSA-N 0 0 396.459 3.016 20 10 GGCDRN Cc1ccc(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(O)c1O ZINC000179540648 1429417967 /nfs/dbraw/zinc/41/79/67/1429417967.db2.gz PTKZASJUDGGXJV-OAHLLOKOSA-N 0 0 380.444 3.163 20 10 GGCDRN COc1cc(NCc2cc(C)ccc2O)ccc1S(=O)(=O)N1CCCC1 ZINC000179551269 1429425373 /nfs/dbraw/zinc/42/53/73/1429425373.db2.gz HFPXRKCRYRUBTB-UHFFFAOYSA-N 0 0 376.478 3.106 20 10 GGCDRN CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000179557291 1429431319 /nfs/dbraw/zinc/43/13/19/1429431319.db2.gz KAWAERBUVHNFMK-QFIPXVFZSA-N 0 0 382.504 3.129 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C)nc1-c1ccccc1 ZINC000179621255 1429474649 /nfs/dbraw/zinc/47/46/49/1429474649.db2.gz SPNXCNZCNMTFAC-UHFFFAOYSA-N 0 0 390.487 3.196 20 10 GGCDRN CN(CC1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000152321096 1422071965 /nfs/dbraw/zinc/07/19/65/1422071965.db2.gz NGOIQKUSMNJAKB-MRXNPFEDSA-N 0 0 397.466 3.325 20 10 GGCDRN COC(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccnc1 ZINC000152360242 1422082784 /nfs/dbraw/zinc/08/27/84/1422082784.db2.gz KGFYWHOJZYTXBE-MAUKXSAKSA-N 0 0 391.418 3.156 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)c1 ZINC000152373646 1422086101 /nfs/dbraw/zinc/08/61/01/1422086101.db2.gz TZRRDRUECPFSKL-JTQLQIEISA-N 0 0 385.386 3.196 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)COc2ccccc2Br)c1 ZINC000152375335 1422086360 /nfs/dbraw/zinc/08/63/60/1422086360.db2.gz JVUQTFIPWOZRHO-NSHDSACASA-N 0 0 380.238 3.420 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)COc2ccccc2Br)c1 ZINC000152375416 1422086482 /nfs/dbraw/zinc/08/64/82/1422086482.db2.gz JVUQTFIPWOZRHO-LLVKDONJSA-N 0 0 380.238 3.420 20 10 GGCDRN C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000152391776 1422091084 /nfs/dbraw/zinc/09/10/84/1422091084.db2.gz AHNDGTYFMQJTNT-MRXNPFEDSA-N 0 0 385.533 3.087 20 10 GGCDRN C[C@@H](CNC(=O)NCCCSc1nccs1)N1CCc2sccc2C1 ZINC000152408430 1422095817 /nfs/dbraw/zinc/09/58/17/1422095817.db2.gz OCIDDUHOILNWCF-ZDUSSCGKSA-N 0 0 396.607 3.433 20 10 GGCDRN CCN1CCN(C(=O)Cc2ccc(NCc3ccc(N(C)C)cc3)cc2)CC1 ZINC000152428022 1422101173 /nfs/dbraw/zinc/10/11/73/1422101173.db2.gz SZAGIDXDVZZRFW-UHFFFAOYSA-N 0 0 380.536 3.071 20 10 GGCDRN COCCc1noc(CN(C)C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000152478150 1422114628 /nfs/dbraw/zinc/11/46/28/1422114628.db2.gz MPXRSZABHNQBEN-UHFFFAOYSA-N 0 0 382.464 3.247 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC000152542544 1422136959 /nfs/dbraw/zinc/13/69/59/1422136959.db2.gz VCJLMBCMDQMLFO-UHFFFAOYSA-N 0 0 383.496 3.275 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152619856 1422169931 /nfs/dbraw/zinc/16/99/31/1422169931.db2.gz ACDPIYXLQIEWLX-UHFFFAOYSA-N 0 0 389.839 3.357 20 10 GGCDRN COc1cc2c(cc1NCC(=O)N1CCC[C@@H](NC(C)=O)C1)oc1ccccc12 ZINC000152688508 1422209813 /nfs/dbraw/zinc/20/98/13/1422209813.db2.gz NRLQTXDKLUNRRP-OAHLLOKOSA-N 0 0 395.459 3.134 20 10 GGCDRN O=C(NCCCSc1nccs1)NCCN1CCc2sccc2C1 ZINC000152703019 1422215994 /nfs/dbraw/zinc/21/59/94/1422215994.db2.gz LQRZHAMILLBLMI-UHFFFAOYSA-N 0 0 382.580 3.044 20 10 GGCDRN CCCCn1nccc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000152704149 1422216159 /nfs/dbraw/zinc/21/61/59/1422216159.db2.gz BHGNCBNMNPWFSD-UHFFFAOYSA-N 0 0 397.523 3.174 20 10 GGCDRN CN(C)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(F)c1 ZINC000152736610 1422231001 /nfs/dbraw/zinc/23/10/01/1422231001.db2.gz PZENUPWSZHHVHD-UHFFFAOYSA-N 0 0 385.483 3.030 20 10 GGCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc2c(c1)CC(=O)N2 ZINC000152796362 1422251920 /nfs/dbraw/zinc/25/19/20/1422251920.db2.gz QYIORKODCMNOAG-LLVKDONJSA-N 0 0 376.507 3.180 20 10 GGCDRN CCn1nc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000152809574 1422257112 /nfs/dbraw/zinc/25/71/12/1422257112.db2.gz XGEULNZJLCKPLQ-UHFFFAOYSA-N 0 0 397.523 3.107 20 10 GGCDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000152841832 1422268031 /nfs/dbraw/zinc/26/80/31/1422268031.db2.gz FIHOHIQOYMDHNE-UHFFFAOYSA-N 0 0 385.483 3.436 20 10 GGCDRN O=C(NC1CC1)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000152876422 1422280208 /nfs/dbraw/zinc/28/02/08/1422280208.db2.gz DBXRPSYCWZQFKB-HXUWFJFHSA-N 0 0 394.471 3.106 20 10 GGCDRN C[C@@H](O)C[C@@H](CNC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000152915744 1422295400 /nfs/dbraw/zinc/29/54/00/1422295400.db2.gz QHUFBLBKZWKOIH-UTKZUKDTSA-N 0 0 381.520 3.423 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC2)cc1F ZINC000152952651 1422306443 /nfs/dbraw/zinc/30/64/43/1422306443.db2.gz QWNCIOLFOTXCSV-UHFFFAOYSA-N 0 0 391.374 3.152 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1 ZINC000152989312 1422318951 /nfs/dbraw/zinc/31/89/51/1422318951.db2.gz LDGAIHDEJFNZKM-CYBMUJFWSA-N 0 0 393.447 3.055 20 10 GGCDRN CSc1ccccc1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000152995637 1422320721 /nfs/dbraw/zinc/32/07/21/1422320721.db2.gz HHNZSAIXVFEJSP-UHFFFAOYSA-N 0 0 385.533 3.316 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](OCC(C)C)C3)CC2)cc1 ZINC000153118339 1422363204 /nfs/dbraw/zinc/36/32/04/1422363204.db2.gz SZPKWBJVIXBVIV-FQEVSTJZSA-N 0 0 375.513 3.121 20 10 GGCDRN CN(C)c1ccc(CNC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC000153277404 1422435014 /nfs/dbraw/zinc/43/50/14/1422435014.db2.gz DFDJBOZCKDXAMI-UHFFFAOYSA-N 0 0 390.528 3.388 20 10 GGCDRN 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160760686 1424632881 /nfs/dbraw/zinc/63/28/81/1424632881.db2.gz AVGKIHDJDZUCTR-SFHVURJKSA-N 0 0 387.505 3.103 20 10 GGCDRN O=C(CNc1ccc(Cl)cc1F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161065113 1424656129 /nfs/dbraw/zinc/65/61/29/1424656129.db2.gz WOEGATTZHUEWAY-UHFFFAOYSA-N 0 0 395.837 3.183 20 10 GGCDRN CSc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161121274 1424659463 /nfs/dbraw/zinc/65/94/63/1424659463.db2.gz QTMCFLWJKPLDDF-UHFFFAOYSA-N 0 0 389.496 3.113 20 10 GGCDRN COc1cccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1O ZINC000161109084 1424659527 /nfs/dbraw/zinc/65/95/27/1424659527.db2.gz URCOWVDVROMBHD-UHFFFAOYSA-N 0 0 379.331 3.037 20 10 GGCDRN COc1cccc(CNS(=O)(=O)c2cc(C)c(Br)s2)c1O ZINC000161108365 1424659799 /nfs/dbraw/zinc/65/97/99/1424659799.db2.gz MNJARIGHPZMGJK-UHFFFAOYSA-N 0 0 392.296 3.012 20 10 GGCDRN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000161119752 1424659836 /nfs/dbraw/zinc/65/98/36/1424659836.db2.gz KMPKIENRLYVOCP-XEYPJELSSA-N 0 0 386.492 3.040 20 10 GGCDRN Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cccc1C(F)(F)F ZINC000161153906 1424662292 /nfs/dbraw/zinc/66/22/92/1424662292.db2.gz MVTZQERSGBGCBM-UHFFFAOYSA-N 0 0 379.382 3.335 20 10 GGCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000161163358 1424663841 /nfs/dbraw/zinc/66/38/41/1424663841.db2.gz AALBLYICQAPDAH-LBPRGKRZSA-N 0 0 388.445 3.404 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000161177814 1424664716 /nfs/dbraw/zinc/66/47/16/1424664716.db2.gz ANNQFRNADRJLNH-MRVPVSSYSA-N 0 0 392.296 3.264 20 10 GGCDRN COCCCOc1cccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000161195019 1424665715 /nfs/dbraw/zinc/66/57/15/1424665715.db2.gz JFJHXHCIQKFFRF-UHFFFAOYSA-N 0 0 389.471 3.306 20 10 GGCDRN CCCc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161228421 1424667651 /nfs/dbraw/zinc/66/76/51/1424667651.db2.gz MFSNBUKPEVMKPK-UHFFFAOYSA-N 0 0 385.483 3.343 20 10 GGCDRN O=C(CNc1cc(F)ccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161401258 1424684292 /nfs/dbraw/zinc/68/42/92/1424684292.db2.gz PCGVZSRAZUVQTJ-UHFFFAOYSA-N 0 0 395.837 3.183 20 10 GGCDRN Cc1noc2ncc(S(=O)(=O)N(Cc3ccccc3O)C3CCCC3)cc12 ZINC000161754251 1424757734 /nfs/dbraw/zinc/75/77/34/1424757734.db2.gz YTKOHHJBUAVXDE-UHFFFAOYSA-N 0 0 387.461 3.370 20 10 GGCDRN Cc1cc(C(=O)NCC2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000161798281 1424767388 /nfs/dbraw/zinc/76/73/88/1424767388.db2.gz OLRYKAYNLFDMFP-UHFFFAOYSA-N 0 0 394.924 3.302 20 10 GGCDRN Cn1cnc(-c2cccc(NC(=O)NCc3c(O)ccc4c3CCCC4)c2)n1 ZINC000161799932 1424767892 /nfs/dbraw/zinc/76/78/92/1424767892.db2.gz HVLBFBBWCSDRDD-UHFFFAOYSA-N 0 0 377.448 3.388 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(F)n1 ZINC000161861448 1424781660 /nfs/dbraw/zinc/78/16/60/1424781660.db2.gz WFOSUFKXZKDADO-UHFFFAOYSA-N 0 0 383.345 3.006 20 10 GGCDRN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000161931523 1424800031 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Cc1noc(C)c1C[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000162395748 1424846519 /nfs/dbraw/zinc/84/65/19/1424846519.db2.gz VCUHUWDDSUOKAR-RDTXWAMCSA-N 0 0 387.480 3.319 20 10 GGCDRN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000162441990 1424852348 /nfs/dbraw/zinc/85/23/48/1424852348.db2.gz PSFJOJZBHNNBCL-TXEJJXNPSA-N 0 0 378.384 3.383 20 10 GGCDRN Cc1cc(C(=O)N[C@H](C)CCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000162558133 1424865978 /nfs/dbraw/zinc/86/59/78/1424865978.db2.gz TVJUPVOXQOHBBC-GFCCVEGCSA-N 0 0 382.913 3.301 20 10 GGCDRN Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000162558055 1424866240 /nfs/dbraw/zinc/86/62/40/1424866240.db2.gz TVJUPVOXQOHBBC-LBPRGKRZSA-N 0 0 382.913 3.301 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCS[C@H]4COCC[C@@H]43)c2C)cc1 ZINC000162563445 1424866550 /nfs/dbraw/zinc/86/65/50/1424866550.db2.gz DMVZXFNXCCKVHO-PMACEKPBSA-N 0 0 386.517 3.449 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NCc3cc(C)cc(OC)c3)CC2)cc1 ZINC000162672559 1424877920 /nfs/dbraw/zinc/87/79/20/1424877920.db2.gz WAIHNIGFXJWTGL-UHFFFAOYSA-N 0 0 383.492 3.480 20 10 GGCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000180150454 1429761699 /nfs/dbraw/zinc/76/16/99/1429761699.db2.gz DEEOPRPBRBNUAA-UHFFFAOYSA-N 0 0 394.365 3.269 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000162909630 1424904727 /nfs/dbraw/zinc/90/47/27/1424904727.db2.gz DHVLOGUONBCEQE-MGPUTAFESA-N 0 0 376.522 3.125 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000162909759 1424904766 /nfs/dbraw/zinc/90/47/66/1424904766.db2.gz DHVLOGUONBCEQE-QRWLVFNGSA-N 0 0 376.522 3.125 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1F ZINC000163132793 1424947620 /nfs/dbraw/zinc/94/76/20/1424947620.db2.gz VKDRDCFEBOJOKA-UHFFFAOYSA-N 0 0 388.399 3.405 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163172422 1424953602 /nfs/dbraw/zinc/95/36/02/1424953602.db2.gz NBEXUBZLOXKAED-KRWDZBQOSA-N 0 0 382.512 3.146 20 10 GGCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163262419 1424968510 /nfs/dbraw/zinc/96/85/10/1424968510.db2.gz OLDDBBLLBJQQPT-CYBMUJFWSA-N 0 0 392.554 3.210 20 10 GGCDRN Cc1cccc([C@@H]2CCCN2C(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000164006948 1425067990 /nfs/dbraw/zinc/06/79/90/1425067990.db2.gz GTFQDEBBCNEGLA-NRFANRHFSA-N 0 0 380.492 3.273 20 10 GGCDRN COc1cc(CN(CC(=O)N(C)C)CC(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000164042539 1425071154 /nfs/dbraw/zinc/07/11/54/1425071154.db2.gz LTUKXKMFZDGIIM-UHFFFAOYSA-N 0 0 376.419 3.151 20 10 GGCDRN CNC(=O)[C@@H](NC(=O)CSc1ncc(C(C)(C)C)s1)c1ccccc1 ZINC000164081545 1425074931 /nfs/dbraw/zinc/07/49/31/1425074931.db2.gz BIYMSGCNZCPLPH-HNNXBMFYSA-N 0 0 377.535 3.136 20 10 GGCDRN Cn1cc([C@@H](NCc2ccc(N3CCOCC3)c(F)c2)c2cccc(F)c2)cn1 ZINC000180164007 1429775494 /nfs/dbraw/zinc/77/54/94/1429775494.db2.gz BIIAORGIEQDALW-QFIPXVFZSA-N 0 0 398.457 3.414 20 10 GGCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000164359751 1425103234 /nfs/dbraw/zinc/10/32/34/1425103234.db2.gz YZROQEKBASJNFZ-ZDUSSCGKSA-N 0 0 391.566 3.060 20 10 GGCDRN COc1cc(C)cc(CN(Cc2ccccc2F)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000164474735 1425116426 /nfs/dbraw/zinc/11/64/26/1425116426.db2.gz VKJAUINYKBWPQW-QGZVFWFLSA-N 0 0 393.480 3.038 20 10 GGCDRN COc1cc(C)cc(CN(C)c2ccc(C(=O)N3CCOCC3)cc2C)c1O ZINC000165009613 1425156666 /nfs/dbraw/zinc/15/66/66/1425156666.db2.gz PRQSWWCCTVLJQO-UHFFFAOYSA-N 0 0 384.476 3.126 20 10 GGCDRN Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000165468399 1425180382 /nfs/dbraw/zinc/18/03/82/1425180382.db2.gz VJDFIEBEEVGUHC-OAHLLOKOSA-N 0 0 392.459 3.373 20 10 GGCDRN C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000165468541 1425181173 /nfs/dbraw/zinc/18/11/73/1425181173.db2.gz OBTUNAAGDVLVRZ-KRWDZBQOSA-N 0 0 393.487 3.430 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(-n4nccn4)cc3)CC2)cc1 ZINC000170667259 1425285059 /nfs/dbraw/zinc/28/50/59/1425285059.db2.gz FGJPUBWZCNAFIR-UHFFFAOYSA-N 0 0 392.463 3.066 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GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)cc1 ZINC000170928864 1425398122 /nfs/dbraw/zinc/39/81/22/1425398122.db2.gz SAWULTJSGZFEHM-UHFFFAOYSA-N 0 0 379.382 3.205 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)c3cccnc3N3CCOCC3)cc2)CC1 ZINC000170975036 1425423100 /nfs/dbraw/zinc/42/31/00/1425423100.db2.gz KEVSGMBWWZFRSI-UHFFFAOYSA-N 0 0 394.519 3.085 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCCc3sc(C)nc3C)CC2)cc1 ZINC000170994598 1425427101 /nfs/dbraw/zinc/42/71/01/1425427101.db2.gz XVHJTJSIEJRIPT-UHFFFAOYSA-N 0 0 388.537 3.233 20 10 GGCDRN CNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1 ZINC000170994461 1425427148 /nfs/dbraw/zinc/42/71/48/1425427148.db2.gz HHBCHRKRMYEACT-UHFFFAOYSA-N 0 0 394.519 3.282 20 10 GGCDRN CNC(=O)c1cccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000171013056 1425436291 /nfs/dbraw/zinc/43/62/91/1425436291.db2.gz ZJGZUKHZJMTEBW-UHFFFAOYSA-N 0 0 393.443 3.257 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)CC2)cc1 ZINC000171018078 1425438704 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O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cc(F)ccc1Cl ZINC000171250456 1425568827 /nfs/dbraw/zinc/56/88/27/1425568827.db2.gz YBYPGDBGANINHM-UHFFFAOYSA-N 0 0 375.831 3.334 20 10 GGCDRN O[C@@H](CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Cn1cccn1 ZINC000171354545 1425634881 /nfs/dbraw/zinc/63/48/81/1425634881.db2.gz ZKQOCIGGIVPIGN-MSOLQXFVSA-N 0 0 384.505 3.079 20 10 GGCDRN Cn1nc(Br)c2c1ncnc2NCc1ccc(N2CCCC2)cc1 ZINC000171372954 1425646945 /nfs/dbraw/zinc/64/69/45/1425646945.db2.gz KMWIGFLINWZDAV-UHFFFAOYSA-N 0 0 387.285 3.338 20 10 GGCDRN Cc1cc(C(=O)N[C@H]2CCc3nc(C)nn3C2)c(C)n1-c1cccc(Cl)c1 ZINC000171459183 1425688023 /nfs/dbraw/zinc/68/80/23/1425688023.db2.gz BTWWJGVYSVWHRL-INIZCTEOSA-N 0 0 383.883 3.392 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000171467520 1425691790 /nfs/dbraw/zinc/69/17/90/1425691790.db2.gz UWYAGPLZPLMEHL-ZDUSSCGKSA-N 0 0 390.439 3.469 20 10 GGCDRN CCCN(C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1 ZINC000171485103 1425701288 /nfs/dbraw/zinc/70/12/88/1425701288.db2.gz BBRHJLMFKCVWOA-UHFFFAOYSA-N 0 0 378.384 3.385 20 10 GGCDRN COc1cccc(CNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1O ZINC000171487647 1425702123 /nfs/dbraw/zinc/70/21/23/1425702123.db2.gz XDRIJLYKQPMSBE-UHFFFAOYSA-N 0 0 396.443 3.444 20 10 GGCDRN CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000171590185 1425751172 /nfs/dbraw/zinc/75/11/72/1425751172.db2.gz VDBYQRVCLKCLHF-UHFFFAOYSA-N 0 0 396.491 3.123 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000171663659 1425780476 /nfs/dbraw/zinc/78/04/76/1425780476.db2.gz HEOBKPAQRFCZND-GOSISDBHSA-N 0 0 390.528 3.294 20 10 GGCDRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000171714901 1425800969 /nfs/dbraw/zinc/80/09/69/1425800969.db2.gz ZXIQBDHONVVJRA-QGZVFWFLSA-N 0 0 388.512 3.095 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nccn2Cc2ccccn2)cc1 ZINC000171880632 1425841508 /nfs/dbraw/zinc/84/15/08/1425841508.db2.gz XJQOGGLUPGDVMV-UHFFFAOYSA-N 0 0 395.532 3.143 20 10 GGCDRN CN(C[C@@H](O)COCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171932177 1425855848 /nfs/dbraw/zinc/85/58/48/1425855848.db2.gz HIKPKVSGBYPHGJ-JOCHJYFZSA-N 0 0 397.519 3.006 20 10 GGCDRN Cc1cc(C(=O)N[C@H](C)C(=O)N(C)C)c(C)n1-c1ccccc1Br ZINC000171981217 1425867224 /nfs/dbraw/zinc/86/72/24/1425867224.db2.gz KSBSDUAOTDFRSF-GFCCVEGCSA-N 0 0 392.297 3.063 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172016248 1425874724 /nfs/dbraw/zinc/87/47/24/1425874724.db2.gz TWNXWCKWHQBOCA-UHFFFAOYSA-N 0 0 377.466 3.180 20 10 GGCDRN COc1ccc(O)c(CNC(=O)NCCc2ccc(Br)s2)c1 ZINC000172067247 1425887835 /nfs/dbraw/zinc/88/78/35/1425887835.db2.gz ORIVLPLBRFLTFX-UHFFFAOYSA-N 0 0 385.283 3.267 20 10 GGCDRN O=C(NCCc1ccc2c(c1)CCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172077255 1425890855 /nfs/dbraw/zinc/89/08/55/1425890855.db2.gz IEKWWNWMVBQXIY-HXUWFJFHSA-N 0 0 396.487 3.260 20 10 GGCDRN CC(=O)NC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)CCO1 ZINC000172135752 1425910525 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CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172705263 1426151287 /nfs/dbraw/zinc/15/12/87/1426151287.db2.gz FIJGEMIGTUPBHN-LJQANCHMSA-N 0 0 379.460 3.044 20 10 GGCDRN CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172705265 1426151516 /nfs/dbraw/zinc/15/15/16/1426151516.db2.gz FIJGEMIGTUPBHN-IBGZPJMESA-N 0 0 379.460 3.044 20 10 GGCDRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000172704780 1426151560 /nfs/dbraw/zinc/15/15/60/1426151560.db2.gz HBAXEXLLCLZISA-HXUWFJFHSA-N 0 0 393.487 3.434 20 10 GGCDRN COc1ccc(N2CCCN(Cc3nnc(-c4ccccc4OC)o3)CC2)cc1 ZINC000172757486 1426175200 /nfs/dbraw/zinc/17/52/00/1426175200.db2.gz HZBAYDODXYVVAV-UHFFFAOYSA-N 0 0 394.475 3.466 20 10 GGCDRN Cc1cc(C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 ZINC000172859523 1426224801 /nfs/dbraw/zinc/22/48/01/1426224801.db2.gz ZUTMLSYASXGAMN-UZLBHIALSA-N 0 0 388.471 3.413 20 10 GGCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1 ZINC000172859519 1426225055 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GGCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000173132674 1426355770 /nfs/dbraw/zinc/35/57/70/1426355770.db2.gz ZDJLNCOWMKZTFC-LRDDRELGSA-N 0 0 388.851 3.285 20 10 GGCDRN Cc1cc2c(cc1C)O[C@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)C2 ZINC000173154841 1426368301 /nfs/dbraw/zinc/36/83/01/1426368301.db2.gz DYMNQBPFGQWBNM-QFIPXVFZSA-N 0 0 380.488 3.102 20 10 GGCDRN COCCOC[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000173159769 1426371006 /nfs/dbraw/zinc/37/10/06/1426371006.db2.gz QHBNUQHMJZIPNG-GOSISDBHSA-N 0 0 386.492 3.228 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CSc2nccn2C)o1 ZINC000173185971 1426382279 /nfs/dbraw/zinc/38/22/79/1426382279.db2.gz JLFLHBDXLOOQSC-UHFFFAOYSA-N 0 0 398.488 3.411 20 10 GGCDRN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CC1=O ZINC000173185066 1426382292 /nfs/dbraw/zinc/38/22/92/1426382292.db2.gz UHUWMMAYHPAKDC-SJLPKXTDSA-N 0 0 393.487 3.088 20 10 GGCDRN Cc1cc(-n2cncn2)ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000173188384 1426383620 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O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000175544182 1427809841 /nfs/dbraw/zinc/80/98/41/1427809841.db2.gz SKKYLONGLCLUJA-RDPSFJRHSA-N 0 0 394.490 3.307 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000175544150 1427809900 /nfs/dbraw/zinc/80/99/00/1427809900.db2.gz SKKYLONGLCLUJA-YKSBVNFPSA-N 0 0 394.490 3.307 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000175544131 1427809947 /nfs/dbraw/zinc/80/99/47/1427809947.db2.gz SKKYLONGLCLUJA-HYBUGGRVSA-N 0 0 394.490 3.307 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000175553165 1427813035 /nfs/dbraw/zinc/81/30/35/1427813035.db2.gz TVZIRAMFUFAGCP-IBGZPJMESA-N 0 0 394.519 3.104 20 10 GGCDRN Cc1cc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(C)n1-c1ccccn1 ZINC000175566735 1427817582 /nfs/dbraw/zinc/81/75/82/1427817582.db2.gz JBRRIBIHDWYXNI-UHFFFAOYSA-N 0 0 398.470 3.404 20 10 GGCDRN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1 ZINC000175638985 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GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCOC2(CCCCC2)C1 ZINC000175676235 1427853447 /nfs/dbraw/zinc/85/34/47/1427853447.db2.gz YUBZROKHDJUNAV-UHFFFAOYSA-N 0 0 389.565 3.485 20 10 GGCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c1[O-] ZINC000175696666 1427861684 /nfs/dbraw/zinc/86/16/84/1427861684.db2.gz MWQOOJLXDHOAAB-UHFFFAOYSA-N 0 0 385.483 3.268 20 10 GGCDRN CN(C)c1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1F ZINC000175702498 1427864049 /nfs/dbraw/zinc/86/40/49/1427864049.db2.gz KPQQSQJPDWCBBQ-UHFFFAOYSA-N 0 0 396.216 3.492 20 10 GGCDRN COCCCOc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000175714911 1427867979 /nfs/dbraw/zinc/86/79/79/1427867979.db2.gz PESSGHQMTRGAQU-UHFFFAOYSA-N 0 0 398.503 3.463 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000175737051 1427874697 /nfs/dbraw/zinc/87/46/97/1427874697.db2.gz AZOOMTGSKOLJOP-ZIAGYGMSSA-N 0 0 396.447 3.496 20 10 GGCDRN Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c(C)n1-c1ccccn1 ZINC000175755702 1427879979 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O=C(NCc1ccc(N2CCCC2)cc1)Nc1cnn(Cc2ccccn2)c1 ZINC000175919871 1427972175 /nfs/dbraw/zinc/97/21/75/1427972175.db2.gz HPOYJOCSMHZWCG-UHFFFAOYSA-N 0 0 376.464 3.248 20 10 GGCDRN COc1cccc(CNC(=O)NCc2nccn2CCCc2ccccc2)c1O ZINC000175926744 1427977614 /nfs/dbraw/zinc/97/76/14/1427977614.db2.gz FIZYZADJSUDREW-UHFFFAOYSA-N 0 0 394.475 3.230 20 10 GGCDRN O=C(NCc1ccc(-n2ccnc2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000175963801 1428001598 /nfs/dbraw/zinc/00/15/98/1428001598.db2.gz STNGJVBSLNQIMF-UHFFFAOYSA-N 0 0 376.460 3.456 20 10 GGCDRN CN1CCCc2cc(CNC(=O)N(CCO)[C@@H]3CCc4ccccc43)ccc21 ZINC000176039192 1428040695 /nfs/dbraw/zinc/04/06/95/1428040695.db2.gz HVJMKTUONKVFMZ-JOCHJYFZSA-N 0 0 379.504 3.260 20 10 GGCDRN CN1CCCc2cc(CNC(=O)N(CCO)[C@H]3CCc4ccccc43)ccc21 ZINC000176039209 1428041196 /nfs/dbraw/zinc/04/11/96/1428041196.db2.gz HVJMKTUONKVFMZ-QFIPXVFZSA-N 0 0 379.504 3.260 20 10 GGCDRN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000176048991 1428049835 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GGCDRN O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000176141376 1428114186 /nfs/dbraw/zinc/11/41/86/1428114186.db2.gz CCLQZOIRKKUGFT-VDXCVWLFSA-N 0 0 382.504 3.287 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 ZINC000176237281 1428184446 /nfs/dbraw/zinc/18/44/46/1428184446.db2.gz ORZYTZLWFINYAL-UHFFFAOYSA-N 0 0 393.487 3.307 20 10 GGCDRN COc1ccc(-n2nc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2C)cc1 ZINC000180187511 1429790908 /nfs/dbraw/zinc/79/09/08/1429790908.db2.gz RDJDDZDXEWRELH-UHFFFAOYSA-N 0 0 392.459 3.295 20 10 GGCDRN CN1CCc2ccc(NC(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)cc21 ZINC000180208436 1429802474 /nfs/dbraw/zinc/80/24/74/1429802474.db2.gz MWQWQNWQGALIBG-UHFFFAOYSA-N 0 0 398.482 3.101 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3nnc(C(C)C)n3C)c2C)cc1 ZINC000180212613 1429803146 /nfs/dbraw/zinc/80/31/46/1429803146.db2.gz HPEWVIFYJCUPPN-UHFFFAOYSA-N 0 0 381.480 3.285 20 10 GGCDRN CCO[C@@H](C)c1nc(CN2CCN(Cc3cc(F)ccc3O)CC2)cs1 ZINC000180214437 1429804085 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3.117 20 10 GGCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc3c(c2)CCO3)cc1 ZINC000275889649 1435177692 /nfs/dbraw/zinc/17/76/92/1435177692.db2.gz RHDYKDQSYKVAST-UHFFFAOYSA-N 0 0 379.460 3.366 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccnc1N1CCOCC1 ZINC000275945404 1435181711 /nfs/dbraw/zinc/18/17/11/1435181711.db2.gz ZZQRBBUFPDDPGQ-UHFFFAOYSA-N 0 0 397.523 3.427 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000276114467 1435191751 /nfs/dbraw/zinc/19/17/51/1435191751.db2.gz IKWLJKSKSPRXFC-QHCPKHFHSA-N 0 0 391.515 3.091 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000276114466 1435191778 /nfs/dbraw/zinc/19/17/78/1435191778.db2.gz IKWLJKSKSPRXFC-HSZRJFAPSA-N 0 0 391.515 3.091 20 10 GGCDRN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000276169383 1435195379 /nfs/dbraw/zinc/19/53/79/1435195379.db2.gz UXCNJDWGUXLAPT-INIZCTEOSA-N 0 0 385.430 3.396 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3cccc(Cl)c3)cc2)CC1 ZINC000276315046 1435204235 /nfs/dbraw/zinc/20/42/35/1435204235.db2.gz VBSLUYCDKHATOE-MRXNPFEDSA-N 0 0 399.922 3.428 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)cc(Cl)c3)cc2)CC1 ZINC000276328222 1435205037 /nfs/dbraw/zinc/20/50/37/1435205037.db2.gz YVMDONQCSUUALF-UHFFFAOYSA-N 0 0 389.858 3.078 20 10 GGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)c(C)n1-c1ccccc1 ZINC000276334150 1435205455 /nfs/dbraw/zinc/20/54/55/1435205455.db2.gz QABYLDIDXBWYLO-DYESRHJHSA-N 0 0 378.476 3.478 20 10 GGCDRN Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)c(C)n1-c1ccccc1 ZINC000276334166 1435205507 /nfs/dbraw/zinc/20/55/07/1435205507.db2.gz QABYLDIDXBWYLO-LAUBAEHRSA-N 0 0 378.476 3.478 20 10 GGCDRN CCN(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000276454674 1435212294 /nfs/dbraw/zinc/21/22/94/1435212294.db2.gz KFZJILUYQLMYOD-ADPQETAKSA-N 0 0 381.436 3.024 20 10 GGCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000276774485 1435231425 /nfs/dbraw/zinc/23/14/25/1435231425.db2.gz BJMVTACCVXDQQI-CYBMUJFWSA-N 0 0 395.452 3.310 20 10 GGCDRN O=C(CCOCC(F)(F)C(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000276781056 1435232002 /nfs/dbraw/zinc/23/20/02/1435232002.db2.gz OIGQINDOWBBNHL-CQSZACIVSA-N 0 0 393.377 3.207 20 10 GGCDRN COc1ccccc1-c1noc([C@@H](C)NCc2cc(OC)c(OC)cc2O)n1 ZINC000276805979 1435233984 /nfs/dbraw/zinc/23/39/84/1435233984.db2.gz WTKQOZJFEZAKDN-GFCCVEGCSA-N 0 0 385.420 3.319 20 10 GGCDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000276821400 1435235213 /nfs/dbraw/zinc/23/52/13/1435235213.db2.gz HAIUTENQFJSVKL-IZPAUZPXSA-N 0 0 388.445 3.108 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000276934676 1435244703 /nfs/dbraw/zinc/24/47/03/1435244703.db2.gz VYHTUFDLVWIYMP-CQSZACIVSA-N 0 0 387.505 3.404 20 10 GGCDRN COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276940818 1435245170 /nfs/dbraw/zinc/24/51/70/1435245170.db2.gz WSIUOPQJTXTMPS-JTQLQIEISA-N 0 0 382.363 3.461 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276955955 1435246660 /nfs/dbraw/zinc/24/66/60/1435246660.db2.gz RGYYSXIPLVFXES-NEPJUHHUSA-N 0 0 384.448 3.333 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3scc(C)c3Cl)cc2)CC1 ZINC000276975925 1435248785 /nfs/dbraw/zinc/24/87/85/1435248785.db2.gz RAALTHXPJFYZIY-UHFFFAOYSA-N 0 0 391.924 3.308 20 10 GGCDRN Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(O)c1O ZINC000277001247 1435251041 /nfs/dbraw/zinc/25/10/41/1435251041.db2.gz UJKAQWBTDHPHGT-HNNXBMFYSA-N 0 0 387.436 3.051 20 10 GGCDRN COc1cccc(CNC(=O)C(=O)Nc2ncc(C3CCCCC3)s2)c1O ZINC000277044842 1435255742 /nfs/dbraw/zinc/25/57/42/1435255742.db2.gz ODHOLNMTACOOJQ-UHFFFAOYSA-N 0 0 389.477 3.160 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(OCc2ccccc2)CCOCC1 ZINC000277099226 1435261961 /nfs/dbraw/zinc/26/19/61/1435261961.db2.gz GWGWFVMLPSDOLU-UHFFFAOYSA-N 0 0 396.487 3.244 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)c1 ZINC000277115874 1435263911 /nfs/dbraw/zinc/26/39/11/1435263911.db2.gz NBWKUSKEFQBVLD-NSHDSACASA-N 0 0 397.880 3.087 20 10 GGCDRN COc1ccc2c(c1)[C@@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000277167816 1435272091 /nfs/dbraw/zinc/27/20/91/1435272091.db2.gz BPVBTIHFGFQTBY-NRFANRHFSA-N 0 0 380.488 3.220 20 10 GGCDRN Cc1noc(C)c1C[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277180857 1435274584 /nfs/dbraw/zinc/27/45/84/1435274584.db2.gz CLZWVTHPYZOSAO-JTQLQIEISA-N 0 0 377.828 3.046 20 10 GGCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000277185196 1435275371 /nfs/dbraw/zinc/27/53/71/1435275371.db2.gz HODCVKOUPRJSCH-SFHVURJKSA-N 0 0 384.451 3.017 20 10 GGCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000277195328 1435276632 /nfs/dbraw/zinc/27/66/32/1435276632.db2.gz LACWDLBWZNIATI-UWJYYQICSA-N 0 0 383.492 3.442 20 10 GGCDRN COc1cccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1OC ZINC000277219806 1435280265 /nfs/dbraw/zinc/28/02/65/1435280265.db2.gz FFDKQFUURAKJIL-UHFFFAOYSA-N 0 0 390.823 3.027 20 10 GGCDRN CC(C)C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277229923 1435281957 /nfs/dbraw/zinc/28/19/57/1435281957.db2.gz KISXOLVLAMZGMO-JKSUJKDBSA-N 0 0 380.872 3.404 20 10 GGCDRN CC(C)C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277229915 1435282035 /nfs/dbraw/zinc/28/20/35/1435282035.db2.gz KISXOLVLAMZGMO-HZPDHXFCSA-N 0 0 380.872 3.404 20 10 GGCDRN COc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000277235752 1435283065 /nfs/dbraw/zinc/28/30/65/1435283065.db2.gz YAZUCEVYOMSGON-INIZCTEOSA-N 0 0 386.404 3.130 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCOC2(CCCC2)C1 ZINC000277269225 1435287206 /nfs/dbraw/zinc/28/72/06/1435287206.db2.gz OYFUINQUXCZHNC-OAHLLOKOSA-N 0 0 378.856 3.302 20 10 GGCDRN C[C@H]1C(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C(=O)N1C1CCC1 ZINC000277297397 1435290835 /nfs/dbraw/zinc/29/08/35/1435290835.db2.gz KSWUJDKWCSQBDC-ZNMIVQPWSA-N 0 0 389.471 3.145 20 10 GGCDRN CCc1c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1CCC(C)C ZINC000277339905 1435295739 /nfs/dbraw/zinc/29/57/39/1435295739.db2.gz YDUGFEIABSOMMX-UHFFFAOYSA-N 0 0 399.539 3.155 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000277355596 1435297720 /nfs/dbraw/zinc/29/77/20/1435297720.db2.gz AADBOFDGNVNDJB-UHFFFAOYSA-N 0 0 381.350 3.240 20 10 GGCDRN C[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000277435451 1435304673 /nfs/dbraw/zinc/30/46/73/1435304673.db2.gz RZGWHRNFDYJRJI-KRWDZBQOSA-N 0 0 379.460 3.049 20 10 GGCDRN C[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000277466702 1435306632 /nfs/dbraw/zinc/30/66/32/1435306632.db2.gz UMXNXDZOMQBQAY-MRXNPFEDSA-N 0 0 397.450 3.188 20 10 GGCDRN C[C@H]1CN(c2ccc(CN3C(=O)CN(C4CCCC4)C3=O)cc2F)C[C@H](C)O1 ZINC000277515065 1435309623 /nfs/dbraw/zinc/30/96/23/1435309623.db2.gz XKRIWKWVOIDOMV-GJZGRUSLSA-N 0 0 389.471 3.146 20 10 GGCDRN CC(C)O[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000277611413 1435316210 /nfs/dbraw/zinc/31/62/10/1435316210.db2.gz INNKBRQZHOPKNA-HZPDHXFCSA-N 0 0 380.872 3.402 20 10 GGCDRN CCc1noc(CC)c1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277720150 1435324395 /nfs/dbraw/zinc/32/43/95/1435324395.db2.gz SDBFHMOPRUKRMW-UHFFFAOYSA-N 0 0 377.828 3.123 20 10 GGCDRN O=C(NC1CC(F)(F)C1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277747975 1435326815 /nfs/dbraw/zinc/32/68/15/1435326815.db2.gz VZPACTOFYFRURG-LLVKDONJSA-N 0 0 375.366 3.354 20 10 GGCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1ccc([N+](=O)[O-])c(OC)c1O)N2 ZINC000277900913 1435340703 /nfs/dbraw/zinc/34/07/03/1435340703.db2.gz CVZUWIXJYPDJJJ-GOSISDBHSA-N 0 0 385.376 3.047 20 10 GGCDRN COc1cc(SC)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000278076215 1435356707 /nfs/dbraw/zinc/35/67/07/1435356707.db2.gz LRPSXAFHRCBERN-UHFFFAOYSA-N 0 0 399.516 3.054 20 10 GGCDRN CC(C)(Cc1ccccc1)c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000278140875 1435363611 /nfs/dbraw/zinc/36/36/11/1435363611.db2.gz IBSPFNXTGQLQIS-UHFFFAOYSA-N 0 0 387.461 3.334 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000278179782 1435367023 /nfs/dbraw/zinc/36/70/23/1435367023.db2.gz UBFQOPCUHBSMST-BMGDILEWSA-N 0 0 390.867 3.158 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000278179788 1435367029 /nfs/dbraw/zinc/36/70/29/1435367029.db2.gz UBFQOPCUHBSMST-OLMNPRSZSA-N 0 0 390.867 3.158 20 10 GGCDRN CCN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1)CC(F)(F)F ZINC000278223537 1435371253 /nfs/dbraw/zinc/37/12/53/1435371253.db2.gz LXQRXOYOYWJSQM-LBPRGKRZSA-N 0 0 391.390 3.015 20 10 GGCDRN COC(=O)c1coc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000278328117 1435380418 /nfs/dbraw/zinc/38/04/18/1435380418.db2.gz VXBFZGPDZIKJJH-ZDUSSCGKSA-N 0 0 376.428 3.017 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278329382 1435380584 /nfs/dbraw/zinc/38/05/84/1435380584.db2.gz UXRPUEJKZHHJAV-TZMCWYRMSA-N 0 0 395.456 3.187 20 10 GGCDRN CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1O ZINC000278348490 1435382520 /nfs/dbraw/zinc/38/25/20/1435382520.db2.gz WVQAWMMSEMTHNB-SFHVURJKSA-N 0 0 399.447 3.189 20 10 GGCDRN CCN(C)c1ccc([C@H](C)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 ZINC000278438743 1435391014 /nfs/dbraw/zinc/39/10/14/1435391014.db2.gz KDJSKKKSAHMBFS-INIZCTEOSA-N 0 0 379.512 3.488 20 10 GGCDRN COc1c([O-])c(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278478625 1435393966 /nfs/dbraw/zinc/39/39/66/1435393966.db2.gz IUMPKYYZCNWDEP-UHFFFAOYSA-N 0 0 391.390 3.063 20 10 GGCDRN COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278481593 1435394141 /nfs/dbraw/zinc/39/41/41/1435394141.db2.gz JKPYPEWBVPYBIC-UHFFFAOYSA-N 0 0 384.335 3.209 20 10 GGCDRN CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](O)c1c(F)cccc1F ZINC000278493279 1435395157 /nfs/dbraw/zinc/39/51/57/1435395157.db2.gz LXCWFBXICIWEKI-GUYCJALGSA-N 0 0 382.363 3.189 20 10 GGCDRN COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278525611 1435397033 /nfs/dbraw/zinc/39/70/33/1435397033.db2.gz TUKCZBSCCJRAHT-KPZWWZAWSA-N 0 0 376.409 3.183 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000278537474 1435398165 /nfs/dbraw/zinc/39/81/65/1435398165.db2.gz WMFNHXCKKNZGBT-PBHICJAKSA-N 0 0 380.347 3.207 20 10 GGCDRN CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278555496 1435399798 /nfs/dbraw/zinc/39/97/98/1435399798.db2.gz ZYLKMOUPUZBNJM-UHFFFAOYSA-N 0 0 389.408 3.022 20 10 GGCDRN CC[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(N(C)C)cc1 ZINC000278560957 1435399977 /nfs/dbraw/zinc/39/99/77/1435399977.db2.gz WPPGGLAUNGOJTO-LJQANCHMSA-N 0 0 379.512 3.488 20 10 GGCDRN COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc(OC)c1OC ZINC000278566998 1435400488 /nfs/dbraw/zinc/40/04/88/1435400488.db2.gz CCWABZBFDXRLTI-NSHDSACASA-N 0 0 392.408 3.186 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278567349 1435400768 /nfs/dbraw/zinc/40/07/68/1435400768.db2.gz BQDOPFNBVIXQQQ-UHFFFAOYSA-N 0 0 383.408 3.299 20 10 GGCDRN COc1c(O)c(CNc2ccc(NC(=O)[C@@H]3CCCO3)cc2)ccc1[N+](=O)[O-] ZINC000278570070 1435401112 /nfs/dbraw/zinc/40/11/12/1435401112.db2.gz CPOFIFVSYGWUKS-INIZCTEOSA-N 0 0 387.392 3.039 20 10 GGCDRN CCOCCOCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278619724 1435406524 /nfs/dbraw/zinc/40/65/24/1435406524.db2.gz FRLIFEKSFKKNDG-UHFFFAOYSA-N 0 0 376.409 3.474 20 10 GGCDRN COc1c([O-])c(C[NH2+]CCC(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000278622136 1435406727 /nfs/dbraw/zinc/40/67/27/1435406727.db2.gz FUZZRQLBHZNDHE-UHFFFAOYSA-N 0 0 393.827 3.389 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278637466 1435408656 /nfs/dbraw/zinc/40/86/56/1435408656.db2.gz HNOLMTBQOIBGJQ-CYBMUJFWSA-N 0 0 385.420 3.287 20 10 GGCDRN O=S1(=O)CC[C@@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)C1 ZINC000278685787 1435414108 /nfs/dbraw/zinc/41/41/08/1435414108.db2.gz MEYRNSHPRXEZOF-DOTOQJQBSA-N 0 0 392.546 3.256 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC ZINC000278725671 1435417691 /nfs/dbraw/zinc/41/76/91/1435417691.db2.gz XXWPXOOECLWHJK-INIZCTEOSA-N 0 0 380.485 3.061 20 10 GGCDRN CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000278792549 1435424159 /nfs/dbraw/zinc/42/41/59/1435424159.db2.gz WULRMGZIJBALDQ-UHFFFAOYSA-N 0 0 399.278 3.373 20 10 GGCDRN O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000278847500 1435430685 /nfs/dbraw/zinc/43/06/85/1435430685.db2.gz TYULBQNBEHXQRK-AWEZNQCLSA-N 0 0 385.313 3.469 20 10 GGCDRN COc1c(O)c(CNc2ccc(CCC(=O)N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278854724 1435431331 /nfs/dbraw/zinc/43/13/31/1435431331.db2.gz LFTSPBJSZJASNB-UHFFFAOYSA-N 0 0 399.447 3.476 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1[N+](=O)[O-] ZINC000278870902 1435433468 /nfs/dbraw/zinc/43/34/68/1435433468.db2.gz NBEKGXXRRUKLLB-GOSISDBHSA-N 0 0 386.404 3.321 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278886362 1435435441 /nfs/dbraw/zinc/43/54/41/1435435441.db2.gz OXTJYFXZZAULHE-LBPRGKRZSA-N 0 0 387.392 3.116 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278886361 1435435497 /nfs/dbraw/zinc/43/54/97/1435435497.db2.gz OXTJYFXZZAULHE-GFCCVEGCSA-N 0 0 387.392 3.116 20 10 GGCDRN CCCS(=O)(=O)Nc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278887882 1435435998 /nfs/dbraw/zinc/43/59/98/1435435998.db2.gz PAOQRKIHJBRYFG-UHFFFAOYSA-N 0 0 395.437 3.073 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000278917823 1435439650 /nfs/dbraw/zinc/43/96/50/1435439650.db2.gz ULFHRKAVERJCHC-LBPRGKRZSA-N 0 0 387.392 3.116 20 10 GGCDRN CN(C)c1ccc(CNC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)cc1F ZINC000278921851 1435440281 /nfs/dbraw/zinc/44/02/81/1435440281.db2.gz HHMMMBKSRPVYTF-UHFFFAOYSA-N 0 0 377.504 3.229 20 10 GGCDRN O=C(CCc1ccc(=O)[nH]c1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000278974633 1435447531 /nfs/dbraw/zinc/44/75/31/1435447531.db2.gz CSVQBSSKPUPCNT-HNNXBMFYSA-N 0 0 391.418 3.106 20 10 GGCDRN COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc(OC)c1O ZINC000279059968 1435456689 /nfs/dbraw/zinc/45/66/89/1435456689.db2.gz RYLKQNLYCSVJBI-UHFFFAOYSA-N 0 0 386.492 3.455 20 10 GGCDRN O=C(Nc1cccc(N2CCC2=O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279062295 1435456854 /nfs/dbraw/zinc/45/68/54/1435456854.db2.gz ASXJAECMTONVBG-IBGZPJMESA-N 0 0 395.459 3.342 20 10 GGCDRN COc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc(OC)c1O ZINC000279088647 1435459204 /nfs/dbraw/zinc/45/92/04/1435459204.db2.gz VWRMMBRGTSHFTI-UHFFFAOYSA-N 0 0 384.476 3.209 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1nc(C2CCC2)cs1 ZINC000279176915 1435467873 /nfs/dbraw/zinc/46/78/73/1435467873.db2.gz IELDKGLUSXZKEM-UHFFFAOYSA-N 0 0 385.489 3.250 20 10 GGCDRN C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000279388068 1435493713 /nfs/dbraw/zinc/49/37/13/1435493713.db2.gz AKFPQXMPTVCRRA-QRWLVFNGSA-N 0 0 397.466 3.203 20 10 GGCDRN COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000279417321 1435497017 /nfs/dbraw/zinc/49/70/17/1435497017.db2.gz IZAHZOIRCCTFJI-SJBIAYANSA-N 0 0 394.431 3.498 20 10 GGCDRN C[C@H](NCc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000279433667 1435498961 /nfs/dbraw/zinc/49/89/61/1435498961.db2.gz GVETVEFTLWZORS-INIZCTEOSA-N 0 0 381.455 3.094 20 10 GGCDRN Cc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nnn1CC1CCCC1 ZINC000279462771 1435502110 /nfs/dbraw/zinc/50/21/10/1435502110.db2.gz MYVIXSDESBCVBD-IBGZPJMESA-N 0 0 398.507 3.304 20 10 GGCDRN C[C@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CCO2 ZINC000279469938 1435502843 /nfs/dbraw/zinc/50/28/43/1435502843.db2.gz HIEDHZFFZVEJAH-GCJKJVERSA-N 0 0 387.524 3.012 20 10 GGCDRN CN(CCCCCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000279544816 1435511708 /nfs/dbraw/zinc/51/17/08/1435511708.db2.gz RCDWMPAODQIFIE-HNNXBMFYSA-N 0 0 385.455 3.061 20 10 GGCDRN CN(CCCCCO)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000279544817 1435511836 /nfs/dbraw/zinc/51/18/36/1435511836.db2.gz RCDWMPAODQIFIE-OAHLLOKOSA-N 0 0 385.455 3.061 20 10 GGCDRN COC(=O)c1nc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)sc1C ZINC000279667033 1435526238 /nfs/dbraw/zinc/52/62/38/1435526238.db2.gz MSCFUGJDCBCNCD-LBPRGKRZSA-N 0 0 376.434 3.010 20 10 GGCDRN COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000279718264 1435534653 /nfs/dbraw/zinc/53/46/53/1435534653.db2.gz LIGADDLAELQDHD-WOJBJXKFSA-N 0 0 375.513 3.012 20 10 GGCDRN COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000279718259 1435534754 /nfs/dbraw/zinc/53/47/54/1435534754.db2.gz LIGADDLAELQDHD-UXHICEINSA-N 0 0 375.513 3.012 20 10 GGCDRN COC(=O)c1nc([C@@H]2CCCN2Cc2cc(OC)c(OC)cc2O)sc1C ZINC000279723678 1435535411 /nfs/dbraw/zinc/53/54/11/1435535411.db2.gz UWVCHWSHSOYJEJ-ZDUSSCGKSA-N 0 0 392.477 3.298 20 10 GGCDRN CN(CCC1CCN(C(=O)c2cccc(O)c2O)CC1)C(=O)OC(C)(C)C ZINC000279818295 1435547013 /nfs/dbraw/zinc/54/70/13/1435547013.db2.gz LVIXQOSTRRPVOE-UHFFFAOYSA-N 0 0 378.469 3.207 20 10 GGCDRN C[C@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000279825808 1435547715 /nfs/dbraw/zinc/54/77/15/1435547715.db2.gz GKSOCNQWHAWATM-KGLIPLIRSA-N 0 0 398.425 3.164 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc4oc(C)nc4c3)c2)CC1 ZINC000279844515 1435550581 /nfs/dbraw/zinc/55/05/81/1435550581.db2.gz AKOBOGQZTHNPLZ-UHFFFAOYSA-N 0 0 378.432 3.057 20 10 GGCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000279855479 1435552685 /nfs/dbraw/zinc/55/26/85/1435552685.db2.gz FIDBOABLOIRSSD-QGZVFWFLSA-N 0 0 381.480 3.012 20 10 GGCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c(C)n1-c1ccccc1 ZINC000279948465 1435568054 /nfs/dbraw/zinc/56/80/54/1435568054.db2.gz ICXQTPUSNSJZPA-CTNGQTDRSA-N 0 0 377.444 3.455 20 10 GGCDRN Cc1ccc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)c(C)c1 ZINC000280094438 1435590999 /nfs/dbraw/zinc/59/09/99/1435590999.db2.gz QYKZOOXRRJJNEV-HNNXBMFYSA-N 0 0 388.489 3.010 20 10 GGCDRN CN(C)c1ccc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c(C(F)(F)F)c1 ZINC000280109663 1435594191 /nfs/dbraw/zinc/59/41/91/1435594191.db2.gz BVKLZUZUNGVPTR-MRXNPFEDSA-N 0 0 384.423 3.390 20 10 GGCDRN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000280160494 1435601400 /nfs/dbraw/zinc/60/14/00/1435601400.db2.gz OGFNMBUDTKDCHA-RRFJBIMHSA-N 0 0 380.435 3.378 20 10 GGCDRN C[C@@H]1CN(c2ccc(CN[C@@H](c3ncc[nH]3)c3cccnc3)cc2F)C[C@H](C)O1 ZINC000280203819 1435608292 /nfs/dbraw/zinc/60/82/92/1435608292.db2.gz SYFWQRVFIIEOLE-VWKPWSFCSA-N 0 0 395.482 3.437 20 10 GGCDRN Cc1nc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2o1 ZINC000280206466 1435608956 /nfs/dbraw/zinc/60/89/56/1435608956.db2.gz FJYYOCJILXRLSC-UHFFFAOYSA-N 0 0 383.423 3.166 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(S(=O)(=O)CC)s1 ZINC000280336390 1435638566 /nfs/dbraw/zinc/63/85/66/1435638566.db2.gz JMDADCRMXFNKPS-UHFFFAOYSA-N 0 0 396.534 3.369 20 10 GGCDRN CC(C)Oc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C(N)=O ZINC000280392584 1435651967 /nfs/dbraw/zinc/65/19/67/1435651967.db2.gz ASLKJSNGPVNGHB-UHFFFAOYSA-N 0 0 398.463 3.070 20 10 GGCDRN CN(C)c1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000280413346 1435656184 /nfs/dbraw/zinc/65/61/84/1435656184.db2.gz YLONAHBMGZUXDR-UHFFFAOYSA-N 0 0 393.335 3.398 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000280428176 1435658852 /nfs/dbraw/zinc/65/88/52/1435658852.db2.gz CAIWBJROFZKOIO-CYBMUJFWSA-N 0 0 385.464 3.379 20 10 GGCDRN CNC(=O)COc1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c(C)c1 ZINC000280426812 1435659130 /nfs/dbraw/zinc/65/91/30/1435659130.db2.gz DPWNGEMDGNRQIF-UHFFFAOYSA-N 0 0 397.475 3.026 20 10 GGCDRN CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1C(N)=O ZINC000280448911 1435662992 /nfs/dbraw/zinc/66/29/92/1435662992.db2.gz GTBWBSSAQHKSPK-UHFFFAOYSA-N 0 0 394.475 3.271 20 10 GGCDRN CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280583369 1435683503 /nfs/dbraw/zinc/68/35/03/1435683503.db2.gz PRAXRPRMKDSIHA-AWEZNQCLSA-N 0 0 385.464 3.333 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000280626596 1435692417 /nfs/dbraw/zinc/69/24/17/1435692417.db2.gz UACZGYVZHZNZER-JTQLQIEISA-N 0 0 378.812 3.275 20 10 GGCDRN Cc1ccc([C@@H](NCc2ccc(N(C)C)c(F)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280627714 1435692743 /nfs/dbraw/zinc/69/27/43/1435692743.db2.gz GRVIZINMCITGDF-QRWLVFNGSA-N 0 0 378.513 3.464 20 10 GGCDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000280644845 1435696396 /nfs/dbraw/zinc/69/63/96/1435696396.db2.gz VSSBHGMWSGBMJU-HNNXBMFYSA-N 0 0 397.475 3.395 20 10 GGCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(OC)c2O)cc1 ZINC000280679082 1435702891 /nfs/dbraw/zinc/70/28/91/1435702891.db2.gz NAOFAHHPHCKKKL-OAHLLOKOSA-N 0 0 378.856 3.167 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000280702417 1435706440 /nfs/dbraw/zinc/70/64/40/1435706440.db2.gz FSHUTSUZHDQPQT-SANMLTNESA-N 0 0 377.554 3.120 20 10 GGCDRN CC1=C(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)SCCO1 ZINC000280793720 1435721574 /nfs/dbraw/zinc/72/15/74/1435721574.db2.gz ORHQIUHNOHPDNF-STQMWFEESA-N 0 0 380.485 3.050 20 10 GGCDRN CN(C)C(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000280936412 1435744675 /nfs/dbraw/zinc/74/46/75/1435744675.db2.gz QQCKNQUHCCZSPV-UHFFFAOYSA-N 0 0 393.491 3.156 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N(CCCO)Cc3ccccn3)cc2)CC1 ZINC000281033177 1435760136 /nfs/dbraw/zinc/76/01/36/1435760136.db2.gz YSJXYDQVXILLSG-UHFFFAOYSA-N 0 0 396.535 3.412 20 10 GGCDRN CC(=O)N(Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1)C1CC1 ZINC000281278159 1435802068 /nfs/dbraw/zinc/80/20/68/1435802068.db2.gz GKTIMBYAYFXWDB-AWEZNQCLSA-N 0 0 397.475 3.361 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)NCC3([S@](C)=O)CCC3)cc2)CC1 ZINC000281388226 1435806726 /nfs/dbraw/zinc/80/67/26/1435806726.db2.gz GRHUSVVBCNDMGU-SANMLTNESA-N 0 0 377.554 3.023 20 10 GGCDRN CC(C)(C)c1nnc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000281397423 1435807224 /nfs/dbraw/zinc/80/72/24/1435807224.db2.gz YKFCZRJZMSWMDB-CQSZACIVSA-N 0 0 375.494 3.363 20 10 GGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495391 1435811207 /nfs/dbraw/zinc/81/12/07/1435811207.db2.gz GNCOVDVDSMNTPU-VBKZILBWSA-N 0 0 398.459 3.270 20 10 GGCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281495422 1435811223 /nfs/dbraw/zinc/81/12/23/1435811223.db2.gz GNCOVDVDSMNTPU-XOBRGWDASA-N 0 0 398.459 3.270 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCCC2=O)c(F)c1 ZINC000281544353 1435812980 /nfs/dbraw/zinc/81/29/80/1435812980.db2.gz XETXTEDERYHZFN-GFCCVEGCSA-N 0 0 387.411 3.116 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000281582909 1435814512 /nfs/dbraw/zinc/81/45/12/1435814512.db2.gz ZRVJFEUKDUFOCW-HOTGVXAUSA-N 0 0 399.491 3.244 20 10 GGCDRN CN(c1ccc(CNC(=O)NCC2([S@@](C)=O)CC2)cc1)C1CCCCC1 ZINC000281624480 1435816132 /nfs/dbraw/zinc/81/61/32/1435816132.db2.gz HRRIOXYGQQIYRC-AREMUKBSSA-N 0 0 377.554 3.166 20 10 GGCDRN O=C(NCCc1ccc2[nH]ccc2c1)NCc1ccc(N2CCOCC2)cc1 ZINC000281845986 1435823987 /nfs/dbraw/zinc/82/39/87/1435823987.db2.gz NFPPLKZFFCIMCR-UHFFFAOYSA-N 0 0 378.476 3.046 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CCC(F)(F)C1 ZINC000281948338 1435828153 /nfs/dbraw/zinc/82/81/53/1435828153.db2.gz JLJDVCWIZTXTRZ-CQSZACIVSA-N 0 0 385.430 3.021 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC1CCN(c2nccs2)CC1 ZINC000282314061 1435842708 /nfs/dbraw/zinc/84/27/08/1435842708.db2.gz SPHFZLAAXNTDGI-UHFFFAOYSA-N 0 0 386.521 3.196 20 10 GGCDRN CS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000282348455 1435844087 /nfs/dbraw/zinc/84/40/87/1435844087.db2.gz VPKSBAHHDLBNPX-VEGAHXMMSA-N 0 0 386.477 3.159 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282377709 1435845026 /nfs/dbraw/zinc/84/50/26/1435845026.db2.gz GKLICEVTTBCWBD-UHFFFAOYSA-N 0 0 389.383 3.125 20 10 GGCDRN C[C@@H](Sc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1)C(N)=O ZINC000282385393 1435845263 /nfs/dbraw/zinc/84/52/63/1435845263.db2.gz DCMDMULMRWMOFK-OAHLLOKOSA-N 0 0 383.517 3.183 20 10 GGCDRN Cc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nn1C ZINC000282411888 1435846362 /nfs/dbraw/zinc/84/63/62/1435846362.db2.gz YHSQIBIKFIACNX-CQSZACIVSA-N 0 0 382.430 3.435 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000282475875 1435848555 /nfs/dbraw/zinc/84/85/55/1435848555.db2.gz LTLNWQMZLBPPRW-UHFFFAOYSA-N 0 0 385.464 3.481 20 10 GGCDRN CCn1cnnc1CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282482890 1435848825 /nfs/dbraw/zinc/84/88/25/1435848825.db2.gz IMWOUBJRAUJWAC-AWEZNQCLSA-N 0 0 390.919 3.187 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282499597 1435849311 /nfs/dbraw/zinc/84/93/11/1435849311.db2.gz RTTQQJJIWSVZQJ-WMLDXEAASA-N 0 0 383.448 3.136 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282499583 1435849324 /nfs/dbraw/zinc/84/93/24/1435849324.db2.gz RTTQQJJIWSVZQJ-PBHICJAKSA-N 0 0 383.448 3.136 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc2c(C(=O)OCC)cnn21 ZINC000282548557 1435851233 /nfs/dbraw/zinc/85/12/33/1435851233.db2.gz SFSOYTJNCMLANC-UHFFFAOYSA-N 0 0 396.447 3.054 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000282608992 1435853555 /nfs/dbraw/zinc/85/35/55/1435853555.db2.gz YPYVBBJXLGKQRR-LJQANCHMSA-N 0 0 394.471 3.040 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc2Cl)C1 ZINC000282646473 1435855093 /nfs/dbraw/zinc/85/50/93/1435855093.db2.gz LULGVUWPXVIFQS-GOEBONIOSA-N 0 0 398.956 3.017 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000282871306 1435863953 /nfs/dbraw/zinc/86/39/53/1435863953.db2.gz DNFAXLIFWRQGLO-UHFFFAOYSA-N 0 0 386.883 3.096 20 10 GGCDRN C[C@H](O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1 ZINC000282901226 1435865253 /nfs/dbraw/zinc/86/52/53/1435865253.db2.gz CSYKATHEJLYHQR-WMLDXEAASA-N 0 0 389.521 3.084 20 10 GGCDRN C[C@@H](O)c1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1 ZINC000282901215 1435865291 /nfs/dbraw/zinc/86/52/91/1435865291.db2.gz CSYKATHEJLYHQR-PBHICJAKSA-N 0 0 389.521 3.084 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1c(=O)[nH]nc(CC)c1CC ZINC000282967700 1435868136 /nfs/dbraw/zinc/86/81/36/1435868136.db2.gz BABDDXSOOBBDBX-UHFFFAOYSA-N 0 0 386.496 3.112 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000282992327 1435869236 /nfs/dbraw/zinc/86/92/36/1435869236.db2.gz FPSXSKXHKDEQHA-GOSISDBHSA-N 0 0 385.512 3.106 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCCCNC(N)=O)cc2Cl)C1 ZINC000283141322 1435876541 /nfs/dbraw/zinc/87/65/41/1435876541.db2.gz BTSOQOKSFXPYSU-CQSZACIVSA-N 0 0 380.920 3.031 20 10 GGCDRN COc1cc(N(C)C[C@@H]2CCN(C(=O)c3ccccc3)C2)cc(OC)c1OC ZINC000283183223 1435878273 /nfs/dbraw/zinc/87/82/73/1435878273.db2.gz QEWWFXIMELJVBV-INIZCTEOSA-N 0 0 384.476 3.311 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000283192157 1435878609 /nfs/dbraw/zinc/87/86/09/1435878609.db2.gz KTTGQBYUMJEWMY-UHFFFAOYSA-N 0 0 383.496 3.163 20 10 GGCDRN CCN(Cc1noc(CNC(=O)OC(C)(C)C)n1)c1ccc(OC)c(OC)c1 ZINC000283283720 1435882712 /nfs/dbraw/zinc/88/27/12/1435882712.db2.gz MGDJVUSPYCLBDK-UHFFFAOYSA-N 0 0 392.456 3.138 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)OCC)CC1 ZINC000283342242 1435885175 /nfs/dbraw/zinc/88/51/75/1435885175.db2.gz ZRXMEMFSDMQORZ-UHFFFAOYSA-N 0 0 377.485 3.325 20 10 GGCDRN O=C(NCc1ccc(O)cc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283451507 1435890467 /nfs/dbraw/zinc/89/04/67/1435890467.db2.gz DQBBUYNIFLLCCK-UHFFFAOYSA-N 0 0 382.460 3.076 20 10 GGCDRN COc1ccc(C)cc1[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283457484 1435890745 /nfs/dbraw/zinc/89/07/45/1435890745.db2.gz KTHZROSNYPXGMC-KRWDZBQOSA-N 0 0 395.503 3.097 20 10 GGCDRN COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283457488 1435890786 /nfs/dbraw/zinc/89/07/86/1435890786.db2.gz KTHZROSNYPXGMC-QGZVFWFLSA-N 0 0 395.503 3.097 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000283460363 1435890981 /nfs/dbraw/zinc/89/09/81/1435890981.db2.gz AHYSXDLRXQAJMN-UHFFFAOYSA-N 0 0 387.505 3.495 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)cc(OC)c1 ZINC000283538060 1435894358 /nfs/dbraw/zinc/89/43/58/1435894358.db2.gz HIBXHZFBBYDEOZ-UHFFFAOYSA-N 0 0 386.448 3.177 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1sccc1C(=O)OC ZINC000283616539 1435898064 /nfs/dbraw/zinc/89/80/64/1435898064.db2.gz NKQKDIDOUUQBRS-UHFFFAOYSA-N 0 0 390.461 3.008 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H]1CCCC(F)(F)C1 ZINC000283632693 1435898760 /nfs/dbraw/zinc/89/87/60/1435898760.db2.gz VWLLTXKMEMWRNA-HNNXBMFYSA-N 0 0 399.457 3.412 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ncn(C)n1 ZINC000283647549 1435899255 /nfs/dbraw/zinc/89/92/55/1435899255.db2.gz WQMQWELTRDLXKD-KBPBESRZSA-N 0 0 390.919 3.265 20 10 GGCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1nc(C)cs1 ZINC000283715807 1435909496 /nfs/dbraw/zinc/90/94/96/1435909496.db2.gz APYBNHYKIHIONC-KRWDZBQOSA-N 0 0 388.537 3.181 20 10 GGCDRN CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000283755744 1435917341 /nfs/dbraw/zinc/91/73/41/1435917341.db2.gz PGTALBGFSPCRDM-NRFANRHFSA-N 0 0 377.488 3.193 20 10 GGCDRN COc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000283848996 1435936360 /nfs/dbraw/zinc/93/63/60/1435936360.db2.gz DGMWSTNDAYQJCW-QGZVFWFLSA-N 0 0 395.503 3.131 20 10 GGCDRN CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000283852122 1435936741 /nfs/dbraw/zinc/93/67/41/1435936741.db2.gz HBSUVZKOJQSKSA-UHFFFAOYSA-N 0 0 392.507 3.141 20 10 GGCDRN Cc1cccnc1[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000283884309 1435944245 /nfs/dbraw/zinc/94/42/45/1435944245.db2.gz FPUSGLHLDUBZDV-HXUWFJFHSA-N 0 0 394.519 3.120 20 10 GGCDRN CC(C)Oc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000283897887 1435947684 /nfs/dbraw/zinc/94/76/84/1435947684.db2.gz WBEORYURDGDLDU-UHFFFAOYSA-N 0 0 395.503 3.007 20 10 GGCDRN CCC(CC)c1cc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)on1 ZINC000283912017 1435950868 /nfs/dbraw/zinc/95/08/68/1435950868.db2.gz GTTXXJKOQKXAMN-UHFFFAOYSA-N 0 0 398.507 3.111 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCc2sccc21 ZINC000283937189 1435956395 /nfs/dbraw/zinc/95/63/95/1435956395.db2.gz HRBBTGRQFXMWTQ-SFHVURJKSA-N 0 0 383.517 3.158 20 10 GGCDRN COCc1ncsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000284079667 1435986743 /nfs/dbraw/zinc/98/67/43/1435986743.db2.gz WPECMMXFRBBTST-KRWDZBQOSA-N 0 0 389.521 3.177 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000284104399 1435990740 /nfs/dbraw/zinc/99/07/40/1435990740.db2.gz BJWKHAIKRHSLSX-IBGZPJMESA-N 0 0 386.517 3.062 20 10 GGCDRN Cc1cc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)s1 ZINC000284178057 1436001729 /nfs/dbraw/zinc/00/17/29/1436001729.db2.gz XNYZJSIAYWANOX-OAHLLOKOSA-N 0 0 385.533 3.459 20 10 GGCDRN Cc1cc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)s1 ZINC000284178051 1436001867 /nfs/dbraw/zinc/00/18/67/1436001867.db2.gz XNYZJSIAYWANOX-HNNXBMFYSA-N 0 0 385.533 3.459 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000284202428 1436003794 /nfs/dbraw/zinc/00/37/94/1436003794.db2.gz ZFYMBGHZLGNLMP-UHFFFAOYSA-N 0 0 388.533 3.136 20 10 GGCDRN CCc1nc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cs1 ZINC000284367442 1436016467 /nfs/dbraw/zinc/01/64/67/1436016467.db2.gz ZSQWKDCHXVYTAB-CQSZACIVSA-N 0 0 388.537 3.045 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C2CC2)cc1 ZINC000284384555 1436017448 /nfs/dbraw/zinc/01/74/48/1436017448.db2.gz SCFNTSCPFWTLIS-HXUWFJFHSA-N 0 0 398.528 3.205 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C2CC2)cc1 ZINC000284384554 1436017566 /nfs/dbraw/zinc/01/75/66/1436017566.db2.gz SCFNTSCPFWTLIS-FQEVSTJZSA-N 0 0 398.528 3.205 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c(C)n1-c1ccccc1 ZINC000284617029 1436034827 /nfs/dbraw/zinc/03/48/27/1436034827.db2.gz MQDJDGUNFSTWFV-JOCHJYFZSA-N 0 0 393.491 3.000 20 10 GGCDRN COc1cc(O)c(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1OC ZINC000826181227 1441430145 /nfs/dbraw/zinc/43/01/45/1441430145.db2.gz QFXMEDJKOSETDM-UHFFFAOYSA-N 0 0 383.452 3.000 20 10 GGCDRN Cc1cc(O)c(C[NH2+]C2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cc1C ZINC000826272110 1441687785 /nfs/dbraw/zinc/68/77/85/1441687785.db2.gz UUCBQUJVOVRNEO-UHFFFAOYSA-N 0 0 394.479 3.064 20 10 GGCDRN CC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Br)ccc1O ZINC000821222476 1443371226 /nfs/dbraw/zinc/37/12/26/1443371226.db2.gz UPYLSOINYGLOMQ-UHFFFAOYSA-N 0 0 388.269 3.357 20 10 GGCDRN C[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820410388 1443668707 /nfs/dbraw/zinc/66/87/07/1443668707.db2.gz FBPPQDRMWYVTNX-HZPDHXFCSA-N 0 0 378.480 3.115 20 10 GGCDRN Oc1cccc(Cl)c1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826511253 1443930904 /nfs/dbraw/zinc/93/09/04/1443930904.db2.gz IJTQGEUQVHNKPJ-UHFFFAOYSA-N 0 0 385.855 3.269 20 10 GGCDRN COc1ccc(-c2nnn[n-]2)cc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000826181733 1446106407 /nfs/dbraw/zinc/10/64/07/1446106407.db2.gz LVWZSNQOTXRPRK-UHFFFAOYSA-N 0 0 392.507 3.498 20 10 GGCDRN CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821110210 1446313914 /nfs/dbraw/zinc/31/39/14/1446313914.db2.gz YDODRLXCCWGIKN-CYBMUJFWSA-N 0 0 398.467 3.021 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824619759 1446610626 /nfs/dbraw/zinc/61/06/26/1446610626.db2.gz ZVQQACAWHVMUOI-OAHLLOKOSA-N 0 0 380.521 3.271 20 10 GGCDRN CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(Br)ccc1O ZINC000821221000 1450501708 /nfs/dbraw/zinc/50/17/08/1450501708.db2.gz HJNQVTDSPHJDNE-UHFFFAOYSA-N 0 0 388.269 3.357 20 10 GGCDRN COc1ccc(N2CCC(Nc3cc(C(C)=O)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000826208995 947611279 /nfs/dbraw/zinc/61/12/79/947611279.db2.gz IZKOKJFVBYTHMD-UHFFFAOYSA-N 0 0 392.463 3.159 20 10 GGCDRN S=C(NCc1ccc(Cl)cn1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826511750 948433426 /nfs/dbraw/zinc/43/34/26/948433426.db2.gz CEJQXVJAKUDDHU-UHFFFAOYSA-N 0 0 380.264 3.055 20 10 GGCDRN Cc1cc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1C(=O)[O-] ZINC001594319507 958112510 /nfs/dbraw/zinc/11/25/10/958112510.db2.gz GHQJEWOPPOVSSU-IBGZPJMESA-N 0 0 384.480 3.184 20 10 GGCDRN O=C([O-])[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892874 972696751 /nfs/dbraw/zinc/69/67/51/972696751.db2.gz JQEGIZQGNKZUEH-SJLPKXTDSA-N 0 0 394.899 3.017 20 10 GGCDRN O=C([O-])[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CCCC1 ZINC001605892872 972696878 /nfs/dbraw/zinc/69/68/78/972696878.db2.gz JQEGIZQGNKZUEH-AEFFLSMTSA-N 0 0 394.899 3.017 20 10 GGCDRN CC[NH+]1CCN(c2ccc(CNc3ncc(C(=O)[O-])cc3Cl)cc2F)CC1 ZINC000843034110 979327927 /nfs/dbraw/zinc/32/79/27/979327927.db2.gz CPICWIYNHYCBMF-UHFFFAOYSA-N 0 0 392.862 3.326 20 10 GGCDRN C[C@@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000844208697 979359950 /nfs/dbraw/zinc/35/99/50/979359950.db2.gz GBIMTUBRKLCOIL-XAVKZTDYSA-N 0 0 381.432 3.403 20 10 GGCDRN C[C@H]1CN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000844208695 979359999 /nfs/dbraw/zinc/35/99/99/979359999.db2.gz GBIMTUBRKLCOIL-DZZUKKPASA-N 0 0 381.432 3.403 20 10 GGCDRN COc1ccc(N2CCC([NH2+][C@H](C(=O)[O-])c3ccc4c(c3)CCO4)CC2)cc1 ZINC000859816637 979648130 /nfs/dbraw/zinc/64/81/30/979648130.db2.gz HWECKPXJIIDEOJ-NRFANRHFSA-N 0 0 382.460 3.014 20 10 GGCDRN Cc1cc(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1C ZINC000864159598 979773913 /nfs/dbraw/zinc/77/39/13/979773913.db2.gz HMTXZNUDPSVCSC-MRXNPFEDSA-N 0 0 383.492 3.024 20 10 GGCDRN Cc1cc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1C ZINC000864159597 979774123 /nfs/dbraw/zinc/77/41/23/979774123.db2.gz HMTXZNUDPSVCSC-INIZCTEOSA-N 0 0 383.492 3.024 20 10 GGCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001595278240 980309509 /nfs/dbraw/zinc/30/95/09/980309509.db2.gz CAULUIWTKHEJNW-BUVFEPMLSA-N 0 0 398.503 3.421 20 10 GGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001595278242 980309859 /nfs/dbraw/zinc/30/98/59/980309859.db2.gz CAULUIWTKHEJNW-XUEUYAKLSA-N 0 0 398.503 3.421 20 10 GGCDRN CC[C@]([NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)(C(=O)[O-])c1ccccc1 ZINC001595299988 980432835 /nfs/dbraw/zinc/43/28/35/980432835.db2.gz LPHFZVMDAHAEKR-JOCHJYFZSA-N 0 0 379.460 3.420 20 10 GGCDRN O=C([O-])[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901777961 980508400 /nfs/dbraw/zinc/50/84/00/980508400.db2.gz CCWUZJVHITVPHF-GFCCVEGCSA-N 0 0 375.347 3.080 20 10 GGCDRN O=C([O-])[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccc(Br)cc1 ZINC000901896675 980608337 /nfs/dbraw/zinc/60/83/37/980608337.db2.gz GGVOBWRSQBZAHJ-JKSUJKDBSA-N 0 0 376.250 3.455 20 10 GGCDRN O=C([O-])[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904031732 981082762 /nfs/dbraw/zinc/08/27/62/981082762.db2.gz QRQYAAYYXIUGSI-RTWAWAEBSA-N 0 0 380.488 3.361 20 10 GGCDRN O=C([O-])[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000904031726 981082867 /nfs/dbraw/zinc/08/28/67/981082867.db2.gz QRQYAAYYXIUGSI-LEWJYISDSA-N 0 0 380.488 3.361 20 10 GGCDRN CN(C)c1ccc([C@@H](C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)N(C)C)cc1 ZINC000905811280 981163265 /nfs/dbraw/zinc/16/32/65/981163265.db2.gz UWNYCOGRPSVIJE-OAQYLSRUSA-N 0 0 392.503 3.392 20 10 GGCDRN CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000910344022 981881336 /nfs/dbraw/zinc/88/13/36/981881336.db2.gz NLWIZQXOHGIBJZ-XSFOEPMVSA-N 0 0 381.432 3.403 20 10 GGCDRN CN(C)c1ccc([C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000910395807 981917325 /nfs/dbraw/zinc/91/73/25/981917325.db2.gz TZANYULDCBRLCZ-IBGZPJMESA-N 0 0 386.452 3.003 20 10 GGCDRN CN(C)c1ccc([C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000910395111 981917385 /nfs/dbraw/zinc/91/73/85/981917385.db2.gz NPTOJPSMFHSSDJ-LHZAFZKQSA-N 0 0 398.463 3.473 20 10 GGCDRN CN(C)c1ccc([C@@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000910395109 981917683 /nfs/dbraw/zinc/91/76/83/981917683.db2.gz NPTOJPSMFHSSDJ-KUMUZEIWSA-N 0 0 398.463 3.473 20 10 GGCDRN CN(C)c1ccc([C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000910395113 981917699 /nfs/dbraw/zinc/91/76/99/981917699.db2.gz NPTOJPSMFHSSDJ-VLUHHTHFSA-N 0 0 398.463 3.473 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC[NH+]1CCC(C(=O)[O-])CC1 ZINC000911378634 982394453 /nfs/dbraw/zinc/39/44/53/982394453.db2.gz CUKYREZACZGNMM-UHFFFAOYSA-N 0 0 397.519 3.319 20 10 GGCDRN Cc1cc(C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)c(C)n1-c1ccccc1C ZINC000911378679 982395702 /nfs/dbraw/zinc/39/57/02/982395702.db2.gz HOTNWSROWJLNOL-UHFFFAOYSA-N 0 0 397.519 3.319 20 10 GGCDRN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC001595756007 982452782 /nfs/dbraw/zinc/45/27/82/982452782.db2.gz OGUDPDLCBJKOKH-INIZCTEOSA-N 0 0 384.476 3.372 20 10 GGCDRN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596364769 983852318 /nfs/dbraw/zinc/85/23/18/983852318.db2.gz DCZSTIMBKAQBIJ-UHFFFAOYSA-N 0 0 387.436 3.146 20 10 GGCDRN Cc1[nH]c(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1C(=O)[O-] ZINC001599962707 985821528 /nfs/dbraw/zinc/82/15/28/985821528.db2.gz CPFCXAWXJOWXRM-BETUJISGSA-N 0 0 375.444 3.064 20 10 GGCDRN C[C@@H]1[C@@H](CC(=O)[O-])CC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001594578294 986431566 /nfs/dbraw/zinc/43/15/66/986431566.db2.gz YPTUNMZXNBWBPT-VLKZTRAZSA-N 0 0 378.488 3.418 20 10 GGCDRN CCc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001597458811 987882220 /nfs/dbraw/zinc/88/22/20/987882220.db2.gz VHDPOAHSBKGTLH-HXUWFJFHSA-N 0 0 398.507 3.438 20 10 GGCDRN CC(C)(C)OCCC[NH+]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001590381530 989893968 /nfs/dbraw/zinc/89/39/68/989893968.db2.gz BSIXVINTNDRXET-VURMDHGXSA-N 0 0 391.468 3.020 20 10 GGCDRN CN(C)c1ccc([C@@H](C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])N(C)C)cc1 ZINC001598313069 991286728 /nfs/dbraw/zinc/28/67/28/991286728.db2.gz BGLCDZZUAXCLFH-HXUWFJFHSA-N 0 0 380.492 3.325 20 10 GGCDRN C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501853 992444838 /nfs/dbraw/zinc/44/48/38/992444838.db2.gz NMCCBBNQOZKGRB-QIBOZCLASA-N 0 0 395.459 3.446 20 10 GGCDRN C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598524836 992706822 /nfs/dbraw/zinc/70/68/22/992706822.db2.gz KMSNJKOLWYGPMX-FQEVSTJZSA-N 0 0 385.460 3.425 20 10 GGCDRN CN1CCN(c2ccc(C[NH2+][C@H](CCC(=O)[O-])c3ccccc3)cc2F)CC1 ZINC001598624023 994057781 /nfs/dbraw/zinc/05/77/81/994057781.db2.gz DGDIEJYVXAGSSX-HXUWFJFHSA-N 0 0 385.483 3.273 20 10 GGCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593218369 994284225 /nfs/dbraw/zinc/28/42/25/994284225.db2.gz HWEDESWVHQLALD-WWGRRREGSA-N 0 0 378.469 3.387 20 10 GGCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc(C(=O)[O-])ccc1O ZINC001593218366 994285041 /nfs/dbraw/zinc/28/50/41/994285041.db2.gz HWEDESWVHQLALD-DVOMOZLQSA-N 0 0 378.469 3.387 20 10 GGCDRN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C(=O)[O-])ccc1O ZINC001593230026 994356640 /nfs/dbraw/zinc/35/66/40/994356640.db2.gz AUVDYMPHAHSZQR-QFYYESIMSA-N 0 0 392.814 3.339 20 10 GGCDRN C[C@H]([NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593246415 994451791 /nfs/dbraw/zinc/45/17/91/994451791.db2.gz LALMVYMPWKHTSQ-MGPLVRAMSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255923 994518723 /nfs/dbraw/zinc/51/87/23/994518723.db2.gz FKGQRWALDZDBID-QFBILLFUSA-N 0 0 384.476 3.032 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593257436 994528620 /nfs/dbraw/zinc/52/86/20/994528620.db2.gz NQLWSZLBJCLDEQ-KGLIPLIRSA-N 0 0 378.469 3.388 20 10 GGCDRN C[C@H]([NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593269104 994598230 /nfs/dbraw/zinc/59/82/30/994598230.db2.gz ZCPRVKHHFKHWSV-LBPRGKRZSA-N 0 0 397.880 3.258 20 10 GGCDRN C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)c1cc(C(=O)[O-])ccc1O ZINC001593285363 994634587 /nfs/dbraw/zinc/63/45/87/994634587.db2.gz CTGWGHRKXZYAFH-MGPLVRAMSA-N 0 0 380.238 3.237 20 10 GGCDRN C[C@H](Oc1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001593644840 995967426 /nfs/dbraw/zinc/96/74/26/995967426.db2.gz NJQXBQANUDFKHS-KRWDZBQOSA-N 0 0 384.476 3.007 20 10 GGCDRN COc1cc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc(OC)c1OC ZINC001599405826 997296417 /nfs/dbraw/zinc/29/64/17/997296417.db2.gz KNPNMLXWGVEOJE-UHFFFAOYSA-N 0 0 395.839 3.158 20 10 GGCDRN COc1cc(C[N@@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407504 997349361 /nfs/dbraw/zinc/34/93/61/997349361.db2.gz MMIRMPMGBLRKOH-QFIPXVFZSA-N 0 0 391.508 3.280 20 10 GGCDRN COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC001598929531 997718726 /nfs/dbraw/zinc/71/87/26/997718726.db2.gz ONBWMZVHDOVQDF-IBGZPJMESA-N 0 0 399.443 3.058 20 10 GGCDRN COC1CCN(c2ccc(C[NH2+][C@H](C(=O)[O-])[C@H]3CCC[C@H](OC)C3)cc2)CC1 ZINC001599126690 997864980 /nfs/dbraw/zinc/86/49/80/997864980.db2.gz MDLYDMRWXKCKTJ-YYWHXJBOSA-N 0 0 390.524 3.050 20 10 GGCDRN COc1cc(O)c(C[NH2+][C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1OC ZINC001599446448 998017289 /nfs/dbraw/zinc/01/72/89/998017289.db2.gz UZQBURNYTQAWKV-YJBOKZPZSA-N 0 0 385.460 3.462 20 10 GGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c(O)c1OC ZINC001599571543 998373795 /nfs/dbraw/zinc/37/37/95/998373795.db2.gz DZWIRODNJFUKBI-AWEZNQCLSA-N 0 0 396.237 3.087 20 10 GGCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1Cn1cccn1 ZINC001599572097 998381272 /nfs/dbraw/zinc/38/12/72/998381272.db2.gz RNKVWKWAFSWGLQ-NRFANRHFSA-N 0 0 379.460 3.472 20 10 GGCDRN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)c(O)c1OC ZINC001599573213 998398474 /nfs/dbraw/zinc/39/84/74/998398474.db2.gz VGYRYGUVXQVGGJ-UHFFFAOYSA-N 0 0 396.237 3.160 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])cc1F ZINC000277416114 1126078958 /nfs/dbraw/zinc/07/89/58/1126078958.db2.gz SRDXKLCSGHKQFO-QGZVFWFLSA-N 0 0 388.439 3.186 20 10 GGCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350695 1126076244 /nfs/dbraw/zinc/07/62/44/1126076244.db2.gz ZKHRDJZASDNQDI-CQSZACIVSA-N 0 0 375.266 3.329 20 10 GGCDRN [O-]c1c(Br)cccc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350692 1126076322 /nfs/dbraw/zinc/07/63/22/1126076322.db2.gz ZKHRDJZASDNQDI-AWEZNQCLSA-N 0 0 375.266 3.329 20 10 GGCDRN O=C([O-])[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841815973 1126111930 /nfs/dbraw/zinc/11/19/30/1126111930.db2.gz IOPZZKVHJCQVID-INIZCTEOSA-N 0 0 376.250 3.170 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000841809358 1126111953 /nfs/dbraw/zinc/11/19/53/1126111953.db2.gz YKUDUXGSGLMGJC-QGZVFWFLSA-N 0 0 377.282 3.301 20 10 GGCDRN Cc1ccc(C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])cc1C ZINC000841822139 1126112122 /nfs/dbraw/zinc/11/21/22/1126112122.db2.gz MFJHZVNFFQAHIC-FQEVSTJZSA-N 0 0 386.467 3.065 20 10 GGCDRN O=C([O-])[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000756382950 1126108245 /nfs/dbraw/zinc/10/82/45/1126108245.db2.gz LDMPGXJIJDZWOM-SFHVURJKSA-N 0 0 392.858 3.101 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000756385402 1126108381 /nfs/dbraw/zinc/10/83/81/1126108381.db2.gz DJZGHLGPUNQCJI-QFIPXVFZSA-N 0 0 392.503 3.461 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2cc[nH]n2)C(=O)[O-])cc1 ZINC000900058477 1126128585 /nfs/dbraw/zinc/12/85/85/1126128585.db2.gz DANQOFQJJBBCSL-OAQYLSRUSA-N 0 0 378.476 3.222 20 10 GGCDRN Cc1cc(C)n(C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C(=O)[O-])n1 ZINC000904005783 1126131793 /nfs/dbraw/zinc/13/17/93/1126131793.db2.gz PXJYKYSFGYGIDS-FQEVSTJZSA-N 0 0 398.532 3.441 20 10 GGCDRN Cc1cc(C)n(C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C(=O)[O-])n1 ZINC000904005784 1126131802 /nfs/dbraw/zinc/13/18/02/1126131802.db2.gz PXJYKYSFGYGIDS-HXUWFJFHSA-N 0 0 398.532 3.441 20 10 GGCDRN Cc1cnn(C[C@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C(=O)[O-])c1 ZINC000904006090 1126131821 /nfs/dbraw/zinc/13/18/21/1126131821.db2.gz SNXNGKXJRQCTCM-IBGZPJMESA-N 0 0 384.505 3.132 20 10 GGCDRN O=C([O-])[C@H](Cc1cncs1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC001608544808 1126237602 /nfs/dbraw/zinc/23/76/02/1126237602.db2.gz CTUGLIXGGFLKAZ-SFHVURJKSA-N 0 0 384.457 3.213 20 10 GGCDRN Cc1cc(C)c(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000016134558 210185427 /nfs/dbraw/zinc/18/54/27/210185427.db2.gz WCIPSJKNVRSYFA-UHFFFAOYSA-N 0 0 382.504 3.486 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CCCOc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000005930291 209622378 /nfs/dbraw/zinc/62/23/78/209622378.db2.gz NSRVIFGHVJBJRT-UHFFFAOYSA-N 0 0 396.487 3.406 20 10 GGCDRN COc1ccc2c(c1)OCC[C@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000359885272 209199199 /nfs/dbraw/zinc/19/91/99/209199199.db2.gz ZFZQFNKOWALZML-HXUWFJFHSA-N 0 0 379.460 3.394 20 10 GGCDRN C/C=C/C=C\C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000097655734 211970425 /nfs/dbraw/zinc/97/04/25/211970425.db2.gz CDFFXAXMITURCL-MHSBMHLCSA-N 0 0 375.380 3.076 20 10 GGCDRN CN(C)c1ccc(CNC(=O)c2ccccc2I)cc1 ZINC000018215107 211721640 /nfs/dbraw/zinc/72/16/40/211721640.db2.gz RAOGQCIYBVYZJT-UHFFFAOYSA-N 0 0 380.229 3.287 20 10 GGCDRN Cc1cc(C(=O)COC(=O)C2(O)CCSCC2)c(C)n1-c1ccc(C)cc1 ZINC000089642701 211182069 /nfs/dbraw/zinc/18/20/69/211182069.db2.gz SQKJARVDRBPGSV-UHFFFAOYSA-N 0 0 387.501 3.387 20 10 GGCDRN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(N2CCCCC2)cc1 ZINC000028924246 210535502 /nfs/dbraw/zinc/53/55/02/210535502.db2.gz LPBDLTKQVVLHAJ-JOCHJYFZSA-N 0 0 392.503 3.014 20 10 GGCDRN Cc1ccc(C)c(OCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000048365523 132433115 /nfs/dbraw/zinc/43/31/15/132433115.db2.gz BUEMXBWQRZZWBP-UHFFFAOYSA-N 0 0 382.504 3.207 20 10 GGCDRN CCc1noc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000055530644 132446087 /nfs/dbraw/zinc/44/60/87/132446087.db2.gz JAUMAEKUKFUKJV-CHWSQXEVSA-N 0 0 375.444 3.228 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)C[C@H](C)O1 ZINC000058168523 136154929 /nfs/dbraw/zinc/15/49/29/136154929.db2.gz KSTKFXLQTBTYED-GASCZTMLSA-N 0 0 375.444 3.374 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2cccs2)on1 ZINC000058407167 136155447 /nfs/dbraw/zinc/15/54/47/136155447.db2.gz BUVMUQSZVBDRIE-UHFFFAOYSA-N 0 0 387.436 3.309 20 10 GGCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000095959967 136182820 /nfs/dbraw/zinc/18/28/20/136182820.db2.gz ITJOTNVNAWFARM-UHFFFAOYSA-N 0 0 387.915 3.141 20 10 GGCDRN C/C=C\c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(OC)c1 ZINC000096504560 136187260 /nfs/dbraw/zinc/18/72/60/136187260.db2.gz QREZWBDBKXQZCM-PLNGDYQASA-N 0 0 396.487 3.465 20 10 GGCDRN COC(=O)c1sc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1Cl ZINC000053574113 536872748 /nfs/dbraw/zinc/87/27/48/536872748.db2.gz HNOOMTPUTSMSHR-UHFFFAOYSA-N 0 0 399.875 3.295 20 10 GGCDRN COc1ccccc1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000048356149 537020491 /nfs/dbraw/zinc/02/04/91/537020491.db2.gz VMDLOPJFZCWPCT-HOTGVXAUSA-N 0 0 386.467 3.307 20 10 GGCDRN O=C(c1nc(Br)cs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119534618 564276462 /nfs/dbraw/zinc/27/64/62/564276462.db2.gz CVHXMUQBGKSKQC-GFCCVEGCSA-N 0 0 397.294 3.433 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCSc1n[nH]c(C)n1 ZINC000120997763 564347978 /nfs/dbraw/zinc/34/79/78/564347978.db2.gz ZCEACEPKWUBVNO-UHFFFAOYSA-N 0 0 399.314 3.112 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)nc1Cl ZINC000122534686 564418385 /nfs/dbraw/zinc/41/83/85/564418385.db2.gz WRLFKMAEDVDBCH-UHFFFAOYSA-N 0 0 384.238 3.294 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cc(Br)cn3C)CC2)cc1 ZINC000123926094 564466340 /nfs/dbraw/zinc/46/63/40/564466340.db2.gz HRIXLPGXWBPEFS-UHFFFAOYSA-N 0 0 392.297 3.149 20 10 GGCDRN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nccs1 ZINC000047247222 564516153 /nfs/dbraw/zinc/51/61/53/564516153.db2.gz GXRSPPUVFIUYEK-UHFFFAOYSA-N 0 0 389.424 3.351 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CSCc3nc(C)cs3)CC2)cc1 ZINC000127065792 564571980 /nfs/dbraw/zinc/57/19/80/564571980.db2.gz HDKMFHSAYGJZMV-UHFFFAOYSA-N 0 0 377.535 3.042 20 10 GGCDRN CCOC(=O)C1=C(CSc2nccs2)NC(=O)N[C@H]1c1ccccc1 ZINC000052913896 564579202 /nfs/dbraw/zinc/57/92/02/564579202.db2.gz FHIQIEABTXIENT-AWEZNQCLSA-N 0 0 375.475 3.107 20 10 GGCDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nccs1 ZINC000053580612 564590958 /nfs/dbraw/zinc/59/09/58/564590958.db2.gz MRTUDLBEIAKYRW-UHFFFAOYSA-N 0 0 385.492 3.377 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cncc(Br)c1 ZINC000054035432 564597924 /nfs/dbraw/zinc/59/79/24/564597924.db2.gz OZGBHTSNMDHOSS-UHFFFAOYSA-N 0 0 392.322 3.327 20 10 GGCDRN CSC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000066762986 564774710 /nfs/dbraw/zinc/77/47/10/564774710.db2.gz URBBSEVTAKCKJC-LBPRGKRZSA-N 0 0 376.444 3.157 20 10 GGCDRN COc1cccc(CNc2ccc(F)cc2S(=O)(=O)C(F)(F)F)c1O ZINC000066812678 564775696 /nfs/dbraw/zinc/77/56/96/564775696.db2.gz BYJNBURISJKLNH-UHFFFAOYSA-N 0 0 379.331 3.446 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CSCc3cnc(C)s3)CC2)cc1 ZINC000068977075 564830229 /nfs/dbraw/zinc/83/02/29/564830229.db2.gz FBQQGVVRVYRDIW-UHFFFAOYSA-N 0 0 377.535 3.042 20 10 GGCDRN Cc1nc(CN2CCN(Cc3cc(Br)ccc3O)CC2)oc1C ZINC000093055722 564884089 /nfs/dbraw/zinc/88/40/89/564884089.db2.gz MMDBZSGGXMFUJH-UHFFFAOYSA-N 0 0 380.286 3.077 20 10 GGCDRN COC[C@@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000149993336 564887006 /nfs/dbraw/zinc/88/70/06/564887006.db2.gz DQOJEINXBLFEIF-CJAAZZPWSA-N 0 0 398.575 3.128 20 10 GGCDRN Cc1ccc(CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C(C)C)s1 ZINC000094055894 564895824 /nfs/dbraw/zinc/89/58/24/564895824.db2.gz SCDQGTLACUNPCN-UHFFFAOYSA-N 0 0 382.507 3.184 20 10 GGCDRN CC[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CCS1 ZINC000266445473 565080711 /nfs/dbraw/zinc/08/07/11/565080711.db2.gz WIZNXWFLGPIDMB-OAHLLOKOSA-N 0 0 378.563 3.369 20 10 GGCDRN CC(C)N(Cc1csc(CS(C)(=O)=O)n1)Cc1ccc(N(C)C)cc1 ZINC000266547817 565084010 /nfs/dbraw/zinc/08/40/10/565084010.db2.gz SEINAYOCUYIAJR-UHFFFAOYSA-N 0 0 381.567 3.164 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CSc1nncs1 ZINC000266569801 565085298 /nfs/dbraw/zinc/08/52/98/565085298.db2.gz XLLABWUYKXKIBL-UHFFFAOYSA-N 0 0 388.312 3.147 20 10 GGCDRN COc1cc(N2CCN(Cc3cnc(Cl)s3)CC2)cc(OC)c1OC ZINC000183700665 565088788 /nfs/dbraw/zinc/08/87/88/565088788.db2.gz HASRHUIXAJLMPP-UHFFFAOYSA-N 0 0 383.901 3.145 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCc1nc(C)no1 ZINC000266894116 565094852 /nfs/dbraw/zinc/09/48/52/565094852.db2.gz ZDBNOXFTARSICW-UHFFFAOYSA-N 0 0 397.273 3.010 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000266905314 565095839 /nfs/dbraw/zinc/09/58/39/565095839.db2.gz YFLOGGGBKOEIEM-NSHDSACASA-N 0 0 381.274 3.181 20 10 GGCDRN O=C(c1ccc(Br)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000266955095 565098402 /nfs/dbraw/zinc/09/84/02/565098402.db2.gz VUOCBMMBWWTRMY-HNNXBMFYSA-N 0 0 391.265 3.371 20 10 GGCDRN COc1c(Br)c(C)sc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156713516 565102106 /nfs/dbraw/zinc/10/21/06/565102106.db2.gz FMWKYDQJQOFRHW-UHFFFAOYSA-N 0 0 386.267 3.211 20 10 GGCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000156723094 565102362 /nfs/dbraw/zinc/10/23/62/565102362.db2.gz ZUKYLFWMYTXFCT-ZWNOBZJWSA-N 0 0 385.295 3.493 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(F)c1Br ZINC000292411941 565114013 /nfs/dbraw/zinc/11/40/13/565114013.db2.gz DPIWQYPIGOHZLF-UHFFFAOYSA-N 0 0 393.256 3.355 20 10 GGCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000268001162 565136961 /nfs/dbraw/zinc/13/69/61/565136961.db2.gz NIACGNPGVZSGOF-UHFFFAOYSA-N 0 0 383.491 3.028 20 10 GGCDRN COc1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000184702387 565152507 /nfs/dbraw/zinc/15/25/07/565152507.db2.gz XWVKFNDMYSXUEG-GJZGRUSLSA-N 0 0 383.897 3.440 20 10 GGCDRN CCC[C@@H](O)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000268636005 565161642 /nfs/dbraw/zinc/16/16/42/565161642.db2.gz SSBOXUMYRRYSEB-XTCQQWIJSA-N 0 0 398.575 3.007 20 10 GGCDRN CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000184896020 565163715 /nfs/dbraw/zinc/16/37/15/565163715.db2.gz GJZKPCDGJJXRAJ-MRVPVSSYSA-N 0 0 394.107 3.092 20 10 GGCDRN CC(=O)NCCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000184921702 565166225 /nfs/dbraw/zinc/16/62/25/565166225.db2.gz SMRTZAQRAHNPJV-QMMMGPOBSA-N 0 0 394.107 3.094 20 10 GGCDRN CSCc1cnc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000293468072 565170608 /nfs/dbraw/zinc/17/06/08/565170608.db2.gz DREKYYDNADRNHO-UHFFFAOYSA-N 0 0 381.542 3.396 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C)c1C1CC1 ZINC000269148700 565180290 /nfs/dbraw/zinc/18/02/90/565180290.db2.gz KOGNXDOCFNKEKU-UHFFFAOYSA-N 0 0 378.270 3.428 20 10 GGCDRN C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)cc(Br)c1[O-] ZINC000185264526 565191854 /nfs/dbraw/zinc/19/18/54/565191854.db2.gz PWGLZCFFIVYFHO-MRVPVSSYSA-N 0 0 394.107 3.046 20 10 GGCDRN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3[O-])CC2)no1 ZINC000371412051 565192305 /nfs/dbraw/zinc/19/23/05/565192305.db2.gz SDUUAQPJIAFFMJ-UHFFFAOYSA-N 0 0 384.263 3.390 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCSC[C@@H]2c2nccs2)cc1F ZINC000185291851 565193690 /nfs/dbraw/zinc/19/36/90/565193690.db2.gz MFEVYZMDDCDRPJ-OAHLLOKOSA-N 0 0 380.514 3.348 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)c2csc(S(C)(=O)=O)c2)C2CC2)cc1 ZINC000270820758 565230290 /nfs/dbraw/zinc/23/02/90/565230290.db2.gz GNCOWKKRMCRJQR-UHFFFAOYSA-N 0 0 378.519 3.022 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000270896960 565232647 /nfs/dbraw/zinc/23/26/47/565232647.db2.gz SODMFOSSSAJWHM-UHFFFAOYSA-N 0 0 380.535 3.268 20 10 GGCDRN C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186082515 565238313 /nfs/dbraw/zinc/23/83/13/565238313.db2.gz OARXYDFCKJUCDY-GXFFZTMASA-N 0 0 383.279 3.279 20 10 GGCDRN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(Cl)c(Cl)c3[O-])C2=O)n(C)n1 ZINC000186083683 565238556 /nfs/dbraw/zinc/23/85/56/565238556.db2.gz VCODXTAQFUWDHU-GXFFZTMASA-N 0 0 383.279 3.197 20 10 GGCDRN COC(=O)c1cnc(SCC(=O)c2ccc(N3CCCC3=O)cc2)s1 ZINC000295143878 565248239 /nfs/dbraw/zinc/24/82/39/565248239.db2.gz DMKLQDKOLFCOOT-UHFFFAOYSA-N 0 0 376.459 3.032 20 10 GGCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCCCS(C)(=O)=O ZINC000186233804 565248741 /nfs/dbraw/zinc/24/87/41/565248741.db2.gz GKNHGVLTAZQGSW-UHFFFAOYSA-N 0 0 391.331 3.402 20 10 GGCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2cc(OC)ccc2OC)s1 ZINC000295283299 565257702 /nfs/dbraw/zinc/25/77/02/565257702.db2.gz KWKFICIDWFUGJG-SECBINFHSA-N 0 0 382.463 3.066 20 10 GGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)s1 ZINC000295359004 565261030 /nfs/dbraw/zinc/26/10/30/565261030.db2.gz RIFBZXKEPFIROU-VIFPVBQESA-N 0 0 382.463 3.066 20 10 GGCDRN COC(=O)c1cnc(SCC(=O)Nc2ccc(N3CCCC3)cc2)s1 ZINC000295379382 565262289 /nfs/dbraw/zinc/26/22/89/565262289.db2.gz TVYZSPNEJJTKSU-UHFFFAOYSA-N 0 0 377.491 3.261 20 10 GGCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])c1cn[nH]c1 ZINC000271773344 565267751 /nfs/dbraw/zinc/26/77/51/565267751.db2.gz CAGHKOZWBNXNCX-SSDOTTSWSA-N 0 0 375.064 3.491 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccncc1Br ZINC000272691392 565294486 /nfs/dbraw/zinc/29/44/86/565294486.db2.gz QJGHHWCLLJNWIQ-UHFFFAOYSA-N 0 0 391.269 3.002 20 10 GGCDRN CC[C@](C)(CO)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000272823411 565298105 /nfs/dbraw/zinc/29/81/05/565298105.db2.gz NMDRFTTWJLYHFP-OJNOIJSXSA-N 0 0 398.575 3.007 20 10 GGCDRN COC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-])OC ZINC000273401016 565320183 /nfs/dbraw/zinc/32/01/83/565320183.db2.gz GHCFTJVYMBJZTR-WPRPVWTQSA-N 0 0 397.107 3.229 20 10 GGCDRN COC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-])OC ZINC000273401013 565320204 /nfs/dbraw/zinc/32/02/04/565320204.db2.gz GHCFTJVYMBJZTR-PSASIEDQSA-N 0 0 397.107 3.229 20 10 GGCDRN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000273444094 565321133 /nfs/dbraw/zinc/32/11/33/565321133.db2.gz ZKFZAIGJZYKXEO-YUMQZZPRSA-N 0 0 394.107 3.092 20 10 GGCDRN Cc1cc(Cl)ccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000162743068 565325497 /nfs/dbraw/zinc/32/54/97/565325497.db2.gz NHHUCPIQZPGEFO-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN COc1cc(Br)cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1O ZINC000374256903 565327520 /nfs/dbraw/zinc/32/75/20/565327520.db2.gz BLKRZKPUROVBBF-AWEZNQCLSA-N 0 0 396.285 3.077 20 10 GGCDRN Nc1ccc(CC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000165746040 565370828 /nfs/dbraw/zinc/37/08/28/565370828.db2.gz SBEGZZWXVRGGGN-HNNXBMFYSA-N 0 0 388.309 3.217 20 10 GGCDRN Cc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1Cl ZINC000165671832 565371006 /nfs/dbraw/zinc/37/10/06/565371006.db2.gz XEQZQLGXHYDMAF-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN CC(C)(O)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000274809327 565381864 /nfs/dbraw/zinc/38/18/64/565381864.db2.gz DBNMDIZQRXLDOG-QBFSEMIESA-N 0 0 398.575 3.007 20 10 GGCDRN C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000375846891 565409442 /nfs/dbraw/zinc/40/94/42/565409442.db2.gz KRTWBMDPUQDKIC-GBNMTWHSSA-N 0 0 386.279 3.070 20 10 GGCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NN1CCCCC1 ZINC000298378676 565411910 /nfs/dbraw/zinc/41/19/10/565411910.db2.gz OEVPDLPVCIKIBA-OWBHPGMISA-N 0 0 395.575 3.247 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298864902 565432182 /nfs/dbraw/zinc/43/21/82/565432182.db2.gz HAZAQMLZUKVDAD-OAHLLOKOSA-N 0 0 380.535 3.052 20 10 GGCDRN COCCN(C)c1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)cn1 ZINC000276658862 565457008 /nfs/dbraw/zinc/45/70/08/565457008.db2.gz HBUWCGGLAIQBTF-SDNWHVSQSA-N 0 0 397.591 3.119 20 10 GGCDRN COCC(=O)N1CCc2cc(NCc3cc(Br)ccc3O)ccc21 ZINC000189305536 565458329 /nfs/dbraw/zinc/45/83/29/565458329.db2.gz RKOODVSAGFQZEN-UHFFFAOYSA-N 0 0 391.265 3.302 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000377047809 565463682 /nfs/dbraw/zinc/46/36/82/565463682.db2.gz QKMZRNJYPQTGKB-HNNXBMFYSA-N 0 0 396.212 3.213 20 10 GGCDRN CN(c1ccc(CNc2ncc(S(N)(=O)=O)s2)cc1)C1CCCCC1 ZINC000301142071 565466907 /nfs/dbraw/zinc/46/69/07/565466907.db2.gz IRDSCMUGORHUKM-UHFFFAOYSA-N 0 0 380.539 3.172 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1nc(C2CC2)cs1 ZINC000277154417 565478804 /nfs/dbraw/zinc/47/88/04/565478804.db2.gz BHYWVFRZCQXRQQ-UHFFFAOYSA-N 0 0 377.853 3.344 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000189679263 565482287 /nfs/dbraw/zinc/48/22/87/565482287.db2.gz QNIMDXBKZWACKC-UHFFFAOYSA-N 0 0 384.860 3.274 20 10 GGCDRN Cc1cc(C(=O)N2CCCS(=O)(=O)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000377610749 565488668 /nfs/dbraw/zinc/48/86/68/565488668.db2.gz FVSNZZLOCDSHKV-UHFFFAOYSA-N 0 0 380.897 3.008 20 10 GGCDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277402562 565494563 /nfs/dbraw/zinc/49/45/63/565494563.db2.gz BMHMYSRDUZIRLM-JTQLQIEISA-N 0 0 380.286 3.000 20 10 GGCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC000301563277 565496059 /nfs/dbraw/zinc/49/60/59/565496059.db2.gz UXJVEVFYJJZDCA-UHFFFAOYSA-N 0 0 393.241 3.201 20 10 GGCDRN C[C@@H](CC(=O)NCc1cccc(Br)c1O)NC(=O)C1CCCCC1 ZINC000277451630 565497966 /nfs/dbraw/zinc/49/79/66/565497966.db2.gz GFPYQBWMRXIAJK-LBPRGKRZSA-N 0 0 397.313 3.246 20 10 GGCDRN Cc1csc([C@@H](C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000277504067 565502268 /nfs/dbraw/zinc/50/22/68/565502268.db2.gz VTDNYBSESZHJCO-JTQLQIEISA-N 0 0 379.869 3.378 20 10 GGCDRN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000277616299 565509425 /nfs/dbraw/zinc/50/94/25/565509425.db2.gz VTUFAWKWMOYPEM-CQSZACIVSA-N 0 0 397.313 3.198 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncc(Br)cn2)cc1 ZINC000301822654 565511563 /nfs/dbraw/zinc/51/15/63/565511563.db2.gz HJDRQJVMUIEBCH-KRWDZBQOSA-N 0 0 391.313 3.491 20 10 GGCDRN Cc1nn(CC(F)(F)F)cc1C(=O)NCc1cccc(Br)c1O ZINC000277646687 565512238 /nfs/dbraw/zinc/51/22/38/565512238.db2.gz YKWHIBVGUAVIJY-UHFFFAOYSA-N 0 0 392.175 3.152 20 10 GGCDRN CCOC(=O)C1CCC(NC(=O)NCc2cccc(Br)c2O)CC1 ZINC000277827051 565522260 /nfs/dbraw/zinc/52/22/60/565522260.db2.gz XCHNXSRWLVVHRM-UHFFFAOYSA-N 0 0 399.285 3.076 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)Nc1nc2c(s1)COCC2 ZINC000278101278 565539675 /nfs/dbraw/zinc/53/96/75/565539675.db2.gz QMECOSFBZVEAIU-UHFFFAOYSA-N 0 0 384.255 3.006 20 10 GGCDRN COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1 ZINC000278409523 565556865 /nfs/dbraw/zinc/55/68/65/565556865.db2.gz PTLYNLPBNXSDTH-LBPRGKRZSA-N 0 0 394.265 3.385 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cccnc1 ZINC000173696127 565577174 /nfs/dbraw/zinc/57/71/74/565577174.db2.gz XSPCQJHMFNMBLN-UHFFFAOYSA-N 0 0 378.270 3.324 20 10 GGCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCCCO ZINC000279306790 565607151 /nfs/dbraw/zinc/60/71/51/565607151.db2.gz DTYAONYNHSMQHP-OWBHPGMISA-N 0 0 398.575 3.008 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(Br)cc1 ZINC000174062618 565610687 /nfs/dbraw/zinc/61/06/87/565610687.db2.gz XYNLNMNZHFQGNZ-UHFFFAOYSA-N 0 0 397.294 3.103 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(Br)cn1 ZINC000279713975 565629434 /nfs/dbraw/zinc/62/94/34/565629434.db2.gz TZWLUZJGAUROJW-LBPRGKRZSA-N 0 0 377.286 3.471 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1nccs1 ZINC000174466885 565638003 /nfs/dbraw/zinc/63/80/03/565638003.db2.gz SYGWRKMPCRLCPT-UHFFFAOYSA-N 0 0 384.299 3.385 20 10 GGCDRN CCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000280100934 565651587 /nfs/dbraw/zinc/65/15/87/565651587.db2.gz ARUFFWOGGBGOCX-UHFFFAOYSA-N 0 0 390.870 3.099 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000175108812 565679740 /nfs/dbraw/zinc/67/97/40/565679740.db2.gz IVAWJKCWOYDVCJ-NSHDSACASA-N 0 0 395.301 3.489 20 10 GGCDRN CCn1cc(C(=O)NCc2cccc(Br)c2O)c(C(F)(F)F)n1 ZINC000280978272 565706806 /nfs/dbraw/zinc/70/68/06/565706806.db2.gz IYQHIJMATGRASV-UHFFFAOYSA-N 0 0 392.175 3.320 20 10 GGCDRN O=C1CCc2cc(Cl)c(NS(=O)(=O)c3cccc4nsnc43)cc21 ZINC000192733176 565707346 /nfs/dbraw/zinc/70/73/46/565707346.db2.gz TVVAYJWOMXJJFQ-UHFFFAOYSA-N 0 0 379.850 3.274 20 10 GGCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(C)(C)S(=O)(=O)CC1 ZINC000192889741 565717580 /nfs/dbraw/zinc/71/75/80/565717580.db2.gz VVRGIVVVEWHFOG-UHFFFAOYSA-N 0 0 380.535 3.195 20 10 GGCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000192999909 565724463 /nfs/dbraw/zinc/72/44/63/565724463.db2.gz AXOIAOVIIFLNAD-OAHLLOKOSA-N 0 0 378.222 3.074 20 10 GGCDRN CCCNC(=O)CCCC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000175842807 565727561 /nfs/dbraw/zinc/72/75/61/565727561.db2.gz KQMAMHVPKJARBA-UHFFFAOYSA-N 0 0 385.302 3.200 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c(C)nn(C)c1C ZINC000175850100 565727659 /nfs/dbraw/zinc/72/76/59/565727659.db2.gz AWGXRQNISDMZEC-UHFFFAOYSA-N 0 0 380.286 3.096 20 10 GGCDRN CN(C)C(=O)C[C@H]1CN(C(=O)/C=C/c2cncs2)c2ccc(Cl)cc21 ZINC000281759271 565746001 /nfs/dbraw/zinc/74/60/01/565746001.db2.gz RPKOIGRFZRYPSW-FUEXJSSKSA-N 0 0 375.881 3.418 20 10 GGCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccon3)cc2Cl)C1 ZINC000282395109 565777235 /nfs/dbraw/zinc/77/72/35/565777235.db2.gz RRVFAFOEAFVGGA-ZDUSSCGKSA-N 0 0 383.901 3.184 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)Cc3ccon3)cc2Cl)C1 ZINC000282395104 565777330 /nfs/dbraw/zinc/77/73/30/565777330.db2.gz RRVFAFOEAFVGGA-CYBMUJFWSA-N 0 0 383.901 3.184 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC=C(Br)C1 ZINC000282450903 565780162 /nfs/dbraw/zinc/78/01/62/565780162.db2.gz ZWCPARPHMGSAOQ-VMPITWQZSA-N 0 0 377.282 3.048 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)cc(F)c2)cc1C ZINC000176694316 565795608 /nfs/dbraw/zinc/79/56/08/565795608.db2.gz AFCRTWDBLSANLR-UHFFFAOYSA-N 0 0 386.470 3.005 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cccnc3Br)CC2)cc1 ZINC000177315039 565842659 /nfs/dbraw/zinc/84/26/59/565842659.db2.gz ROCOCCAEOXTUKN-UHFFFAOYSA-N 0 0 390.281 3.205 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cscc1Br ZINC000285074017 565886610 /nfs/dbraw/zinc/88/66/10/565886610.db2.gz LWTBMCSDDJJOON-UHFFFAOYSA-N 0 0 399.285 3.416 20 10 GGCDRN Nc1ccc(CC(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1 ZINC000237916671 565975172 /nfs/dbraw/zinc/97/51/72/565975172.db2.gz CZXWFZDEHRVSPZ-UHFFFAOYSA-N 0 0 390.281 3.049 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000363046587 565988733 /nfs/dbraw/zinc/98/87/33/565988733.db2.gz AZVSAHUPDRSCCX-LSDHHAIUSA-N 0 0 378.270 3.040 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](CO)C2)c(C)n1-c1cccc(Br)c1 ZINC000179669950 565998591 /nfs/dbraw/zinc/99/85/91/565998591.db2.gz ANGCTLQTGCQPOK-AWEZNQCLSA-N 0 0 377.282 3.311 20 10 GGCDRN COCCc1ccnc(NC(=O)NCc2cccc(Br)c2O)c1 ZINC000287415142 566016748 /nfs/dbraw/zinc/01/67/48/566016748.db2.gz RUBWKNBNQIBDGG-UHFFFAOYSA-N 0 0 380.242 3.060 20 10 GGCDRN C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1[O-] ZINC000363858982 566024742 /nfs/dbraw/zinc/02/47/42/566024742.db2.gz RXDBHCUOWJCNNT-BONVTDFDSA-N 0 0 398.276 3.211 20 10 GGCDRN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287745564 566036679 /nfs/dbraw/zinc/03/66/79/566036679.db2.gz PYIZCTGEUVQFIG-SMDDNHRTSA-N 0 0 385.295 3.493 20 10 GGCDRN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287745552 566037335 /nfs/dbraw/zinc/03/73/35/566037335.db2.gz PYIZCTGEUVQFIG-FZMZJTMJSA-N 0 0 385.295 3.493 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000180341104 566056175 /nfs/dbraw/zinc/05/61/75/566056175.db2.gz CBYBHFAJJGCNSL-SECBINFHSA-N 0 0 379.092 3.433 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000364911696 566075679 /nfs/dbraw/zinc/07/56/79/566075679.db2.gz YTBFLIYEGJRLDE-HNNXBMFYSA-N 0 0 380.853 3.004 20 10 GGCDRN C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000180865253 566093823 /nfs/dbraw/zinc/09/38/23/566093823.db2.gz XNUPCBHEOQDSFG-IUCAKERBSA-N 0 0 379.092 3.120 20 10 GGCDRN CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000182195540 566189171 /nfs/dbraw/zinc/18/91/71/566189171.db2.gz RMAWGXZGARDIID-UHFFFAOYSA-N 0 0 382.913 3.163 20 10 GGCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc(F)c(F)c(F)c2)SC1=S ZINC000263968729 566202726 /nfs/dbraw/zinc/20/27/26/566202726.db2.gz UHDTVMCBBQPBFF-XFFZJAGNSA-N 0 0 375.393 3.258 20 10 GGCDRN Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1Cl ZINC000264042816 566204728 /nfs/dbraw/zinc/20/47/28/566204728.db2.gz YIXAVRHUYHSIIZ-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN Cn1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c(C(F)F)n1 ZINC000291296644 566213604 /nfs/dbraw/zinc/21/36/04/566213604.db2.gz BVEWYFYJVWFJKL-XYOKQWHBSA-N 0 0 380.445 3.197 20 10 GGCDRN COc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nc1Br ZINC000182641048 566218347 /nfs/dbraw/zinc/21/83/47/566218347.db2.gz ZSRGSJHAZSFDAZ-UHFFFAOYSA-N 0 0 378.270 3.191 20 10 GGCDRN CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1c1cccs1 ZINC000291814015 566236223 /nfs/dbraw/zinc/23/62/23/566236223.db2.gz YNSBUSFDOAYADE-HNNXBMFYSA-N 0 0 380.491 3.049 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000183443120 566246921 /nfs/dbraw/zinc/24/69/21/566246921.db2.gz DXUBITDTJXNUJB-IINYFYTJSA-N 0 0 392.249 3.084 20 10 GGCDRN O=S(=O)(Nc1cc(Br)ccc1F)c1cccc2nsnc21 ZINC000599926423 566302744 /nfs/dbraw/zinc/30/27/44/566302744.db2.gz 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COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000025361860 1399802948 /nfs/dbraw/zinc/80/29/48/1399802948.db2.gz VUSWXLTXPMYNHI-QFIPXVFZSA-N 0 0 397.494 3.320 20 10 GGCDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000025370978 1399803767 /nfs/dbraw/zinc/80/37/67/1399803767.db2.gz AXSZJMYLLNISLC-UHFFFAOYSA-N 0 0 394.924 3.306 20 10 GGCDRN CCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(Cl)c1OC ZINC000026763717 1399931381 /nfs/dbraw/zinc/93/13/81/1399931381.db2.gz YCWKYALIJAKJPV-UVTDQMKNSA-N 0 0 382.869 3.050 20 10 GGCDRN Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000026858563 1399942605 /nfs/dbraw/zinc/94/26/05/1399942605.db2.gz NNUPRNIRAGCLKW-UHFFFAOYSA-N 0 0 391.309 3.496 20 10 GGCDRN COC(=O)c1sccc1NC(=O)CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000027079920 1399980137 /nfs/dbraw/zinc/98/01/37/1399980137.db2.gz JBXRKDVEWXEHBW-UHFFFAOYSA-N 0 0 383.401 3.420 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1c2ccccc2OCC1=O ZINC000027157106 1399997364 /nfs/dbraw/zinc/99/73/64/1399997364.db2.gz 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395.532 3.392 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCN(c2cnccn2)CC1 ZINC000028897401 1400209423 /nfs/dbraw/zinc/20/94/23/1400209423.db2.gz QBTNEQNIUSXKQP-UHFFFAOYSA-N 0 0 393.535 3.342 20 10 GGCDRN Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000028940911 1400214930 /nfs/dbraw/zinc/21/49/30/1400214930.db2.gz HUCXNKZNOUYRKO-UHFFFAOYSA-N 0 0 394.924 3.169 20 10 GGCDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000028940924 1400214948 /nfs/dbraw/zinc/21/49/48/1400214948.db2.gz RWKMSMUAUCTJIR-UHFFFAOYSA-N 0 0 388.533 3.132 20 10 GGCDRN C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)o1 ZINC000028964645 1400217650 /nfs/dbraw/zinc/21/76/50/1400217650.db2.gz QDIIOKLKEZGIOB-KHWLQVBSSA-N 0 0 392.546 3.327 20 10 GGCDRN CSc1ccc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)cc1 ZINC000028964088 1400217733 /nfs/dbraw/zinc/21/77/33/1400217733.db2.gz GNZNQLCMXGQMCI-SSZFMOIBSA-N 0 0 394.587 3.332 20 10 GGCDRN CNC(=O)C1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000029161736 1400251212 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Cc1ccc(F)c(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000056101854 1407204114 /nfs/dbraw/zinc/20/41/14/1407204114.db2.gz VVRIIGBJMUTYHS-UHFFFAOYSA-N 0 0 380.510 3.166 20 10 GGCDRN Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000056101923 1407204176 /nfs/dbraw/zinc/20/41/76/1407204176.db2.gz JSAIMCSUNNALOH-UHFFFAOYSA-N 0 0 380.510 3.166 20 10 GGCDRN COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1OC(F)F ZINC000056198860 1407248402 /nfs/dbraw/zinc/24/84/02/1407248402.db2.gz VKYDVNUTEYXVDI-UHFFFAOYSA-N 0 0 392.402 3.063 20 10 GGCDRN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3)C2)nc1 ZINC000056331436 1407300617 /nfs/dbraw/zinc/30/06/17/1407300617.db2.gz VXJTVTIEVJEUOV-GOSISDBHSA-N 0 0 395.507 3.016 20 10 GGCDRN COC(=O)CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000056530007 1407353721 /nfs/dbraw/zinc/35/37/21/1407353721.db2.gz LQCYQHLYOWDXRB-UHFFFAOYSA-N 0 0 379.254 3.150 20 10 GGCDRN COc1ccccc1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000043294176 1403742865 /nfs/dbraw/zinc/74/28/65/1403742865.db2.gz 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GGCDRN COCc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000046157732 1404315557 /nfs/dbraw/zinc/31/55/57/1404315557.db2.gz DZGXURSCPNYKTF-UHFFFAOYSA-N 0 0 385.533 3.386 20 10 GGCDRN O=C(CC[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000046421021 1404408818 /nfs/dbraw/zinc/40/88/18/1404408818.db2.gz JSCVGNKVBYDDAF-INIZCTEOSA-N 0 0 386.414 3.117 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cccc(Cn2cncn2)c1 ZINC000056732308 1407412039 /nfs/dbraw/zinc/41/20/39/1407412039.db2.gz SQMFWPZSTUHCCX-UHFFFAOYSA-N 0 0 376.464 3.248 20 10 GGCDRN O=C(CSc1ccc2c(c1)OCCO2)NCc1ccc(N2CCCC2)cc1 ZINC000046709995 1404560657 /nfs/dbraw/zinc/56/06/57/1404560657.db2.gz IWOYMIGWGUHPLJ-UHFFFAOYSA-N 0 0 384.501 3.467 20 10 GGCDRN CC1=NN(c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 ZINC000046902743 1404628955 /nfs/dbraw/zinc/62/89/55/1404628955.db2.gz MCSRQBAMRPOEMH-UHFFFAOYSA-N 0 0 392.503 3.381 20 10 GGCDRN O=C(NCCc1nc2ccccc2[nH]1)NCc1ccc(N2CCSCC2)cc1 ZINC000046919265 1404634498 /nfs/dbraw/zinc/63/44/98/1404634498.db2.gz 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COc1ccc(N2CCCN(C(=O)CCOc3cccc(C=O)c3)CC2)cc1 ZINC000068291590 1409354552 /nfs/dbraw/zinc/35/45/52/1409354552.db2.gz DMKBURGWUPQFDV-UHFFFAOYSA-N 0 0 382.460 3.016 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3nccn3c2)cc1 ZINC000068323966 1409367055 /nfs/dbraw/zinc/36/70/55/1409367055.db2.gz ZFSPSKXUCCWIFG-HXUWFJFHSA-N 0 0 378.476 3.222 20 10 GGCDRN Cc1noc(Cl)c1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068410591 1409395056 /nfs/dbraw/zinc/39/50/56/1409395056.db2.gz GNWWVTDYAFAFMU-UHFFFAOYSA-N 0 0 377.872 3.064 20 10 GGCDRN C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000068463114 1409410846 /nfs/dbraw/zinc/41/08/46/1409410846.db2.gz BRXHNFIGAWXGSP-WFXMLNOXSA-N 0 0 389.540 3.479 20 10 GGCDRN COc1ccccc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068479687 1409412751 /nfs/dbraw/zinc/41/27/51/1409412751.db2.gz SBOYWJBBUOSUPV-KRWDZBQOSA-N 0 0 383.492 3.135 20 10 GGCDRN COc1cccc(CN(C)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068479735 1409412797 /nfs/dbraw/zinc/41/27/97/1409412797.db2.gz UYUUDZRICDEVMM-KRWDZBQOSA-N 0 0 383.492 3.434 20 10 GGCDRN C[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000068480356 1409413479 /nfs/dbraw/zinc/41/34/79/1409413479.db2.gz URRCRLFVFCDIFM-INIZCTEOSA-N 0 0 393.491 3.002 20 10 GGCDRN CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000068480410 1409413608 /nfs/dbraw/zinc/41/36/08/1409413608.db2.gz SSCRVTFGVKIZSD-KRWDZBQOSA-N 0 0 398.507 3.266 20 10 GGCDRN C[C@@H](NC(=O)N(C)CCOc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000068480687 1409414150 /nfs/dbraw/zinc/41/41/50/1409414150.db2.gz SPZMIQPNUQEUSG-GOSISDBHSA-N 0 0 383.492 3.305 20 10 GGCDRN Cc1ccc(OCCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000068480763 1409414241 /nfs/dbraw/zinc/41/42/41/1409414241.db2.gz ABNURILRHAHZHI-GOSISDBHSA-N 0 0 383.492 3.271 20 10 GGCDRN C[C@@H](NC(=O)Nc1ccc(OCC#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068482574 1409414911 /nfs/dbraw/zinc/41/49/11/1409414911.db2.gz LRVGWOSWUFNRQK-MRXNPFEDSA-N 0 0 380.448 3.308 20 10 GGCDRN COc1cccc(CNC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c1O ZINC000068489267 1409417303 /nfs/dbraw/zinc/41/73/03/1409417303.db2.gz BYQVFIJYRPSVTI-UHFFFAOYSA-N 0 0 387.436 3.378 20 10 GGCDRN COc1cccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1O ZINC000068488413 1409417395 /nfs/dbraw/zinc/41/73/95/1409417395.db2.gz XCXQLFLBTHJTLE-UHFFFAOYSA-N 0 0 387.823 3.353 20 10 GGCDRN C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(N2CCOCC2)cc1 ZINC000068512571 1409422609 /nfs/dbraw/zinc/42/26/09/1409422609.db2.gz LLFRKXRHAGVXDX-OAHLLOKOSA-N 0 0 378.428 3.121 20 10 GGCDRN Cc1noc(C)c1CSCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068512838 1409422659 /nfs/dbraw/zinc/42/26/59/1409422659.db2.gz LYCCILXLXFKJQY-AWEZNQCLSA-N 0 0 389.521 3.239 20 10 GGCDRN Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)cc12 ZINC000068513047 1409422792 /nfs/dbraw/zinc/42/27/92/1409422792.db2.gz OKMWZLLICLQLDK-CYBMUJFWSA-N 0 0 384.505 3.271 20 10 GGCDRN C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068512687 1409422890 /nfs/dbraw/zinc/42/28/90/1409422890.db2.gz FMHQJMGQZOHVAJ-QGZVFWFLSA-N 0 0 393.487 3.141 20 10 GGCDRN Cc1c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)oc2c1C(=O)CCC2 ZINC000068513309 1409423410 /nfs/dbraw/zinc/42/34/10/1409423410.db2.gz AVBNTGBLDNUPGF-HNNXBMFYSA-N 0 0 382.460 3.435 20 10 GGCDRN C[C@H](NC(=O)c1cccnc1N1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000068513400 1409423535 /nfs/dbraw/zinc/42/35/35/1409423535.db2.gz YWHZWTMRIHVMMJ-SFHVURJKSA-N 0 0 394.519 3.400 20 10 GGCDRN COc1ccc2c(ccn2CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068513403 1409423579 /nfs/dbraw/zinc/42/35/79/1409423579.db2.gz HGRSZESMPXNOQZ-KRWDZBQOSA-N 0 0 393.487 3.364 20 10 GGCDRN C[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000068530651 1409427762 /nfs/dbraw/zinc/42/77/62/1409427762.db2.gz ONUVYOYWFQDSRB-MRXNPFEDSA-N 0 0 376.460 3.404 20 10 GGCDRN C[C@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000068530649 1409427893 /nfs/dbraw/zinc/42/78/93/1409427893.db2.gz ONUVYOYWFQDSRB-INIZCTEOSA-N 0 0 376.460 3.404 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000068536136 1409430972 /nfs/dbraw/zinc/43/09/72/1409430972.db2.gz WGLFLGJXUBCALF-UHFFFAOYSA-N 0 0 390.430 3.326 20 10 GGCDRN COc1ccc(OCCCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000068536156 1409431137 /nfs/dbraw/zinc/43/11/37/1409431137.db2.gz RJODIIPIODUBTD-UHFFFAOYSA-N 0 0 398.503 3.349 20 10 GGCDRN CSc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068552733 1409436604 /nfs/dbraw/zinc/43/66/04/1409436604.db2.gz OHEXFHUJWKKVED-OAHLLOKOSA-N 0 0 399.516 3.061 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000068579105 1409444135 /nfs/dbraw/zinc/44/41/35/1409444135.db2.gz ZEFCOGZPTSITMM-UHFFFAOYSA-N 0 0 393.443 3.294 20 10 GGCDRN COc1ccc(N2CCN(c3nc(-c4ccccn4)nc(C)c3C)CC2)cc1 ZINC000068622386 1409451137 /nfs/dbraw/zinc/45/11/37/1409451137.db2.gz PWBRRHJMPCFZSC-UHFFFAOYSA-N 0 0 375.476 3.491 20 10 GGCDRN COc1ccc(N2CCN(CC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000068678632 1409466836 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CCN(C)C(=O)c1cccc(OC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000070962876 1409807170 /nfs/dbraw/zinc/80/71/70/1409807170.db2.gz QBOVVDNDAFKJMJ-FMIVXFBMSA-N 0 0 394.471 3.234 20 10 GGCDRN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)N1CCCc2ccccc21 ZINC000070975673 1409808923 /nfs/dbraw/zinc/80/89/23/1409808923.db2.gz JZMSLMUNALONAO-HXUWFJFHSA-N 0 0 380.488 3.353 20 10 GGCDRN CCN(C(C)=O)c1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000070976482 1409809300 /nfs/dbraw/zinc/80/93/00/1409809300.db2.gz FWLWHMLEVNDFTJ-GOSISDBHSA-N 0 0 389.521 3.403 20 10 GGCDRN CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000070976095 1409809543 /nfs/dbraw/zinc/80/95/43/1409809543.db2.gz NIUUQRMWCGFCIS-FQEVSTJZSA-N 0 0 382.460 3.215 20 10 GGCDRN CCN(C(C)=O)c1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000070976480 1409809640 /nfs/dbraw/zinc/80/96/40/1409809640.db2.gz FWLWHMLEVNDFTJ-SFHVURJKSA-N 0 0 389.521 3.403 20 10 GGCDRN CCOc1cc(C)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000071068303 1409819184 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CCCCN(C)C(=O)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092145611 1410111224 /nfs/dbraw/zinc/11/12/24/1410111224.db2.gz NRTNPBHMICLABR-UHFFFAOYSA-N 0 0 383.876 3.424 20 10 GGCDRN Cc1cc(C(=O)N2CCN(Cc3cc(Br)ccc3O)CC2)c(C)o1 ZINC000092168853 1410116732 /nfs/dbraw/zinc/11/67/32/1410116732.db2.gz MVOXMMCEOAKCIH-UHFFFAOYSA-N 0 0 393.281 3.323 20 10 GGCDRN CC1(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2C1 ZINC000092189525 1410118858 /nfs/dbraw/zinc/11/88/58/1410118858.db2.gz MBRMQNCRQNWWIF-UHFFFAOYSA-N 0 0 383.467 3.019 20 10 GGCDRN CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000092220666 1410122683 /nfs/dbraw/zinc/12/26/83/1410122683.db2.gz PTQKDBCCORVMII-UHFFFAOYSA-N 0 0 390.528 3.077 20 10 GGCDRN COc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000092285769 1410133442 /nfs/dbraw/zinc/13/34/42/1410133442.db2.gz CLMNVKRJDWBZEO-UHFFFAOYSA-N 0 0 399.466 3.326 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCC(C)(C)c3ccncc3)CC2)cc1 ZINC000092363767 1410145654 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CCc1nn(C)c(Cl)c1CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000093277018 1410228821 /nfs/dbraw/zinc/22/88/21/1410228821.db2.gz FXPAEBRAHIRJBO-UHFFFAOYSA-N 0 0 386.279 3.170 20 10 GGCDRN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093281278 1410229719 /nfs/dbraw/zinc/22/97/19/1410229719.db2.gz IPFOEMDRZSCHSF-LBPRGKRZSA-N 0 0 383.876 3.328 20 10 GGCDRN COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc(Br)c2[O-])c1 ZINC000093361524 1410239018 /nfs/dbraw/zinc/23/90/18/1410239018.db2.gz KAWAHHUTQCGSIX-UHFFFAOYSA-N 0 0 396.281 3.166 20 10 GGCDRN C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000093545858 1410252511 /nfs/dbraw/zinc/25/25/11/1410252511.db2.gz REUTZIKRSUWAKM-INIZCTEOSA-N 0 0 383.467 3.491 20 10 GGCDRN Fc1cc(CN2CCO[C@@]3(CCc4ccccc43)C2)ccc1N1CCOCC1 ZINC000093638167 1410256902 /nfs/dbraw/zinc/25/69/02/1410256902.db2.gz UESICSPZNBEMSF-QHCPKHFHSA-N 0 0 382.479 3.336 20 10 GGCDRN Cc1nc(N2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)sc1C ZINC000093688933 1410260157 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GGCDRN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094120757 1410304735 /nfs/dbraw/zinc/30/47/35/1410304735.db2.gz KZACNKYZNMOOST-AWEZNQCLSA-N 0 0 376.478 3.205 20 10 GGCDRN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094125433 1410306534 /nfs/dbraw/zinc/30/65/34/1410306534.db2.gz VWGFAHPCJMUQBH-CQSZACIVSA-N 0 0 388.489 3.205 20 10 GGCDRN CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094134665 1410307160 /nfs/dbraw/zinc/30/71/60/1410307160.db2.gz HQEDNEGGLVRSNR-UHFFFAOYSA-N 0 0 396.896 3.468 20 10 GGCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094133330 1410307305 /nfs/dbraw/zinc/30/73/05/1410307305.db2.gz IUXICPMSTZWERD-GOSISDBHSA-N 0 0 376.478 3.233 20 10 GGCDRN Cc1ccc([C@H]2CCCCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2O)o1 ZINC000094166792 1410309343 /nfs/dbraw/zinc/30/93/43/1410309343.db2.gz GRHCMRNQQGZHJV-MRXNPFEDSA-N 0 0 392.477 3.423 20 10 GGCDRN COc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000096504143 1410332629 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Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000097377207 1410367951 /nfs/dbraw/zinc/36/79/51/1410367951.db2.gz CTXFFZXSFHCMHO-LBPRGKRZSA-N 0 0 388.445 3.309 20 10 GGCDRN Cc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)n1-c1ccccn1 ZINC000097489915 1410370999 /nfs/dbraw/zinc/37/09/99/1410370999.db2.gz ZHENLFFUIQGEKJ-UHFFFAOYSA-N 0 0 393.491 3.052 20 10 GGCDRN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000097572437 1410378480 /nfs/dbraw/zinc/37/84/80/1410378480.db2.gz JKKXKRIGVLGRSM-HXUWFJFHSA-N 0 0 384.476 3.278 20 10 GGCDRN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000097572436 1410378697 /nfs/dbraw/zinc/37/86/97/1410378697.db2.gz JKKXKRIGVLGRSM-FQEVSTJZSA-N 0 0 384.476 3.278 20 10 GGCDRN Cc1[nH]c2c(cccc2C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1C ZINC000097714413 1410391893 /nfs/dbraw/zinc/39/18/93/1410391893.db2.gz ICLKNHMJJKPIHG-UHFFFAOYSA-N 0 0 397.500 3.272 20 10 GGCDRN C[C@H](Cc1ccc(O)cc1)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098029642 1410398113 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CCOc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1OC ZINC000098093769 1410411454 /nfs/dbraw/zinc/41/14/54/1410411454.db2.gz WQMJSAYMFNZSOH-UHFFFAOYSA-N 0 0 398.503 3.233 20 10 GGCDRN COc1cccc2cc(C(=O)NCc3ccc(N4CCC(O)CC4)c(F)c3)oc21 ZINC000098094094 1410412380 /nfs/dbraw/zinc/41/23/80/1410412380.db2.gz WGWBLJSFYGPLBH-UHFFFAOYSA-N 0 0 398.434 3.472 20 10 GGCDRN COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc(OC)c1C ZINC000098093937 1410412560 /nfs/dbraw/zinc/41/25/60/1410412560.db2.gz AXJYSPBBIKJEDR-UHFFFAOYSA-N 0 0 398.503 3.151 20 10 GGCDRN C[C@H](OCc1ccccc1)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093881 1410412834 /nfs/dbraw/zinc/41/28/34/1410412834.db2.gz QDPIIDYWTQXNCH-SFHVURJKSA-N 0 0 382.504 3.117 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cc(-c4ccncc4)on3)CC2)cc1 ZINC000098128098 1410430657 /nfs/dbraw/zinc/43/06/57/1410430657.db2.gz YBJPIRHYMKOTRJ-UHFFFAOYSA-N 0 0 378.432 3.098 20 10 GGCDRN COc1ccc(N(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C(C)C)cc1F ZINC000101567439 1410468443 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O=C(N[C@H]1CCN(CC(F)(F)F)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000102011937 1410543881 /nfs/dbraw/zinc/54/38/81/1410543881.db2.gz CJNCHLJNXRQJMS-HNNXBMFYSA-N 0 0 397.397 3.334 20 10 GGCDRN Cc1csc(-c2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2)n1 ZINC000102086099 1410556083 /nfs/dbraw/zinc/55/60/83/1410556083.db2.gz SKKSKROONQVMSO-UHFFFAOYSA-N 0 0 381.457 3.421 20 10 GGCDRN Cc1cc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000102336906 1410602252 /nfs/dbraw/zinc/60/22/52/1410602252.db2.gz MHTNMKYNSZGGDR-HNNXBMFYSA-N 0 0 380.414 3.103 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)C[C@H]3OC(=O)c4ccccc43)CC2)cc1 ZINC000102382111 1410616077 /nfs/dbraw/zinc/61/60/77/1410616077.db2.gz WMQHMMJBRDIZCY-HXUWFJFHSA-N 0 0 380.444 3.082 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3cc(-c4ccncc4)on3)CC2)cc1 ZINC000102382495 1410616547 /nfs/dbraw/zinc/61/65/47/1410616547.db2.gz AAHSNKZCMIGQKD-UHFFFAOYSA-N 0 0 378.432 3.144 20 10 GGCDRN CC[S@@](=O)c1ccccc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102381999 1410616565 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CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000125613691 1415238249 /nfs/dbraw/zinc/23/82/49/1415238249.db2.gz JEVNBMOYOSPDSA-UHFFFAOYSA-N 0 0 398.551 3.289 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(Br)nc3)CC2)cc1 ZINC000177880892 1428881670 /nfs/dbraw/zinc/88/16/70/1428881670.db2.gz SDHXPYNVIBDUHP-UHFFFAOYSA-N 0 0 391.269 3.207 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@@H]1C=CCCC1 ZINC000125659457 1415248114 /nfs/dbraw/zinc/24/81/14/1415248114.db2.gz MJFYVZKVUUZSAC-OAHLLOKOSA-N 0 0 383.414 3.450 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N[C@H]1C=CCCC1 ZINC000125659200 1415248160 /nfs/dbraw/zinc/24/81/60/1415248160.db2.gz MJFYVZKVUUZSAC-HNNXBMFYSA-N 0 0 383.414 3.450 20 10 GGCDRN CCCn1ccc2cc(NC(=O)C(=O)NCc3cc(OC)ccc3O)ccc21 ZINC000125725368 1415262982 /nfs/dbraw/zinc/26/29/82/1415262982.db2.gz APDNKDFBCGMQIJ-UHFFFAOYSA-N 0 0 381.432 3.020 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000125735088 1415265296 /nfs/dbraw/zinc/26/52/96/1415265296.db2.gz 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3.406 20 10 GGCDRN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1C(=O)N(C)C ZINC000177957740 1428900274 /nfs/dbraw/zinc/90/02/74/1428900274.db2.gz SKRRVIPSFQUHTP-UHFFFAOYSA-N 0 0 380.492 3.401 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc2c(c1)CC(=O)N2 ZINC000126003850 1415334534 /nfs/dbraw/zinc/33/45/34/1415334534.db2.gz ZMRNBHAZEZFKGP-OAHLLOKOSA-N 0 0 376.460 3.118 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc3c(c2)ncn3C)cc1 ZINC000126027506 1415339856 /nfs/dbraw/zinc/33/98/56/1415339856.db2.gz AEUBXUVWYHQRKL-HXUWFJFHSA-N 0 0 392.503 3.461 20 10 GGCDRN Cc1cc(C(=O)NCCNC(=O)c2ccccc2Cl)c(C)n1-c1ccccn1 ZINC000126049467 1415344520 /nfs/dbraw/zinc/34/45/20/1415344520.db2.gz YFIFASLRQCRLEZ-UHFFFAOYSA-N 0 0 396.878 3.302 20 10 GGCDRN COC(=O)CCCc1nnc(NCc2cccc(Br)c2O)s1 ZINC000126072748 1415351417 /nfs/dbraw/zinc/35/14/17/1415351417.db2.gz PDTSHZJFFRXJOL-UHFFFAOYSA-N 0 0 386.271 3.114 20 10 GGCDRN Cc1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]1 ZINC000126083968 1415353203 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GGCDRN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO[C@H]3C(C)C)CC2)cc1F ZINC000126507928 1415473596 /nfs/dbraw/zinc/47/35/96/1415473596.db2.gz XNRFKFCYBMFRDQ-JXFKEZNVSA-N 0 0 393.503 3.117 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)C)CC2)cc1F ZINC000126507618 1415473655 /nfs/dbraw/zinc/47/36/55/1415473655.db2.gz XNRFKFCYBMFRDQ-OXJNMPFZSA-N 0 0 393.503 3.117 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)CCC(=O)N4C)CC2)cc1 ZINC000126506427 1415473731 /nfs/dbraw/zinc/47/37/31/1415473731.db2.gz JKGLMNXZDVQFPZ-UHFFFAOYSA-N 0 0 393.487 3.003 20 10 GGCDRN CS[C@@H]1CCCCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000126510891 1415474200 /nfs/dbraw/zinc/47/42/00/1415474200.db2.gz HJECSWFCUXYPLC-QGZVFWFLSA-N 0 0 395.544 3.214 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000126510158 1415474378 /nfs/dbraw/zinc/47/43/78/1415474378.db2.gz TUYBPTORKLGMRP-BVYCBKJFSA-N 0 0 395.478 3.190 20 10 GGCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3ncc(C)s3)CC2)cc1F ZINC000126522281 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GGCDRN C[C@@]1(CNC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCO1 ZINC000126924608 1415611070 /nfs/dbraw/zinc/61/10/70/1415611070.db2.gz QAHQXPIYRKVWDJ-LIRRHRJNSA-N 0 0 383.439 3.125 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)NCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000127099047 1415660720 /nfs/dbraw/zinc/66/07/20/1415660720.db2.gz OUOOSAKGDGZADM-UHFFFAOYSA-N 0 0 396.413 3.387 20 10 GGCDRN COc1ccc(-c2nc(CN(C)Cc3ccc(N4CCOCC4)cc3)no2)cc1 ZINC000127206139 1415685965 /nfs/dbraw/zinc/68/59/65/1415685965.db2.gz LWIXYTGQCGOLFQ-UHFFFAOYSA-N 0 0 394.475 3.214 20 10 GGCDRN CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000127218018 1415690913 /nfs/dbraw/zinc/69/09/13/1415690913.db2.gz KNSOOGUTDKAABW-DEOSSOPVSA-N 0 0 393.531 3.223 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3c(C)onc3-c3ccccn3)CC2)cc1 ZINC000178090068 1428977225 /nfs/dbraw/zinc/97/72/25/1428977225.db2.gz CJXGMNDZXIVNGI-UHFFFAOYSA-N 0 0 392.459 3.406 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H](C)CC2(C)OCCO2)cc1F ZINC000127256005 1415705721 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COc1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c(OC)c1OC ZINC000127732537 1415840741 /nfs/dbraw/zinc/84/07/41/1415840741.db2.gz ITAGGXKNICKWBV-UHFFFAOYSA-N 0 0 395.459 3.445 20 10 GGCDRN Cc1coc(-c2ccc(C)c(NC(=O)C(=O)N(C)Cc3ccccc3O)c2)n1 ZINC000127889948 1415871014 /nfs/dbraw/zinc/87/10/14/1415871014.db2.gz IVHLDXKQUNJCTK-UHFFFAOYSA-N 0 0 379.416 3.261 20 10 GGCDRN Cc1ccccc1N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127913455 1415874348 /nfs/dbraw/zinc/87/43/48/1415874348.db2.gz GADJYGGYMPJSDX-UHFFFAOYSA-N 0 0 376.504 3.403 20 10 GGCDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000127913684 1415874837 /nfs/dbraw/zinc/87/48/37/1415874837.db2.gz PHKUSRGOEPZQSB-UHFFFAOYSA-N 0 0 392.503 3.460 20 10 GGCDRN COC(=O)c1cc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)oc1C ZINC000127923821 1415876409 /nfs/dbraw/zinc/87/64/09/1415876409.db2.gz OWIZHKSAXNYMAP-UHFFFAOYSA-N 0 0 383.448 3.092 20 10 GGCDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000127943159 1415880073 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CC(C)n1cnnc1-c1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000135161468 1417179812 /nfs/dbraw/zinc/17/98/12/1417179812.db2.gz FDEAAGJCCMFLBA-UHFFFAOYSA-N 0 0 381.436 3.301 20 10 GGCDRN COC(=O)CN(CCC(=O)N(C)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000135187744 1417183687 /nfs/dbraw/zinc/18/36/87/1417183687.db2.gz RLKMRFFTMHWFGJ-UHFFFAOYSA-N 0 0 390.867 3.074 20 10 GGCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc2ccccc21 ZINC000135277495 1417201513 /nfs/dbraw/zinc/20/15/13/1417201513.db2.gz XOYBXLPXKKRCTL-CYBMUJFWSA-N 0 0 384.457 3.408 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)CCc3nc(C4CCCC4)no3)CC2)cc1 ZINC000135451823 1417221746 /nfs/dbraw/zinc/22/17/46/1417221746.db2.gz OPBGOYSMCUFXLO-UHFFFAOYSA-N 0 0 398.507 3.454 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000135482805 1417225960 /nfs/dbraw/zinc/22/59/60/1417225960.db2.gz RACMVIHDRIGVRY-IBGZPJMESA-N 0 0 389.858 3.388 20 10 GGCDRN Cc1cc(C(=O)CN(C)C[C@@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000178779139 1429168583 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CCC(=O)c1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000136453075 1417317913 /nfs/dbraw/zinc/31/79/13/1417317913.db2.gz IHPBBQWPZLZXEA-UHFFFAOYSA-N 0 0 380.444 3.119 20 10 GGCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000136551329 1417325669 /nfs/dbraw/zinc/32/56/69/1417325669.db2.gz IVFYXAOENDFYCT-SUMWQHHRSA-N 0 0 398.425 3.164 20 10 GGCDRN CN(C)c1ccc(CNC(=O)Cc2ccccc2I)cc1 ZINC000136858716 1417351171 /nfs/dbraw/zinc/35/11/71/1417351171.db2.gz YGZXWOZVWGHUEL-UHFFFAOYSA-N 0 0 394.256 3.216 20 10 GGCDRN O=C(/C=C/c1ccc(Cl)nc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000136894021 1417353168 /nfs/dbraw/zinc/35/31/68/1417353168.db2.gz MGNYYKHCECRHFG-ZZXKWVIFSA-N 0 0 389.858 3.165 20 10 GGCDRN Cc1cc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 ZINC000137000511 1417362022 /nfs/dbraw/zinc/36/20/22/1417362022.db2.gz AEVQSWMCPOFKRY-UHFFFAOYSA-N 0 0 386.496 3.476 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C(C)C)N1CCCC1=O ZINC000137253103 1417377999 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COc1ccc(N2CCC(NC(=O)N[C@@H](CCO)C3CCCCC3)CC2)cc1 ZINC000138547998 1417423653 /nfs/dbraw/zinc/42/36/53/1417423653.db2.gz ZHUHSKUZQHQXAH-NRFANRHFSA-N 0 0 389.540 3.295 20 10 GGCDRN C[C@H]1OCCN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]1C ZINC000138560284 1417425525 /nfs/dbraw/zinc/42/55/25/1417425525.db2.gz XGOBYPWRKQBKNC-ZIAGYGMSSA-N 0 0 383.439 3.076 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc1F ZINC000139480610 1417461140 /nfs/dbraw/zinc/46/11/40/1417461140.db2.gz BNGYRLGQKFUFSD-UHFFFAOYSA-N 0 0 393.802 3.358 20 10 GGCDRN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc(O)c1O ZINC000139537329 1417463091 /nfs/dbraw/zinc/46/30/91/1417463091.db2.gz RLFIHCIGYLGEHN-HXUWFJFHSA-N 0 0 377.400 3.268 20 10 GGCDRN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cc(O)c1O ZINC000139537443 1417463141 /nfs/dbraw/zinc/46/31/41/1417463141.db2.gz RLFIHCIGYLGEHN-FQEVSTJZSA-N 0 0 377.400 3.268 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)c1ccc(F)cc1 ZINC000139790024 1417473483 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O=C(CCN1C(=O)CCc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC000172336337 1426005518 /nfs/dbraw/zinc/00/55/18/1426005518.db2.gz UISMWHMMTCQBNF-UHFFFAOYSA-N 0 0 377.488 3.273 20 10 GGCDRN COc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cc1-c1nnn[n-]1 ZINC000821818490 1426009559 /nfs/dbraw/zinc/00/95/59/1426009559.db2.gz SRGFGCPOLJVWHE-UHFFFAOYSA-N 0 0 392.507 3.401 20 10 GGCDRN CCc1nc2cc(NC(=O)C(=O)NCc3ccc(N(CC)CC)cc3)ccc2o1 ZINC000172538208 1426078193 /nfs/dbraw/zinc/07/81/93/1426078193.db2.gz AECZDMQMTDGJCO-UHFFFAOYSA-N 0 0 394.475 3.491 20 10 GGCDRN Cc1cc(C(=O)N(C)Cc2nc[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000172619570 1426116208 /nfs/dbraw/zinc/11/62/08/1426116208.db2.gz ZUCRYAYVUUJBQI-UHFFFAOYSA-N 0 0 388.269 3.247 20 10 GGCDRN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000172626315 1426117949 /nfs/dbraw/zinc/11/79/49/1426117949.db2.gz WVCBQDXGXAVJBI-UHFFFAOYSA-N 0 0 387.505 3.275 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](CCCO)c3ccccc3)CC2)cc1 ZINC000172644753 1426124186 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C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1c(F)cccc1Cl ZINC000175860710 1427938226 /nfs/dbraw/zinc/93/82/26/1427938226.db2.gz KANSZTCJLLPPFN-VIFPVBQESA-N 0 0 386.832 3.047 20 10 GGCDRN C[S@](=O)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cc1F ZINC000175865678 1427941689 /nfs/dbraw/zinc/94/16/89/1427941689.db2.gz BTJKFWSKFIOBOA-SANMLTNESA-N 0 0 376.453 3.469 20 10 GGCDRN Cc1cc(C(=O)N[C@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1Br ZINC000175933276 1427981764 /nfs/dbraw/zinc/98/17/64/1427981764.db2.gz KXAAALLRTMIZPT-LLVKDONJSA-N 0 0 388.269 3.466 20 10 GGCDRN Cc1csc(NC(=O)C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000175973385 1428006543 /nfs/dbraw/zinc/00/65/43/1428006543.db2.gz NQZCUZGTMOXLFZ-UHFFFAOYSA-N 0 0 386.521 3.475 20 10 GGCDRN COC[C@@H]1CN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)CCO1 ZINC000175973180 1428006891 /nfs/dbraw/zinc/00/68/91/1428006891.db2.gz TYSKXHRDRLKXLV-FQEVSTJZSA-N 0 0 375.513 3.012 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)C3=Cc4cc(OC)ccc4OC3)CC2)cc1 ZINC000175990158 1428015670 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Cc1ccc(C(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)c(O)c1O ZINC000182381043 1430456046 /nfs/dbraw/zinc/45/60/46/1430456046.db2.gz QWHLBTHVZGIVEA-ZDUSSCGKSA-N 0 0 376.403 3.203 20 10 GGCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(OCC(F)F)cc1 ZINC000182429887 1430466301 /nfs/dbraw/zinc/46/63/01/1430466301.db2.gz IBHTWZQHDNLYFI-UHFFFAOYSA-N 0 0 396.459 3.409 20 10 GGCDRN COc1ccc(O)c([C@@H](C)NCc2nnnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000182463181 1430471854 /nfs/dbraw/zinc/47/18/54/1430471854.db2.gz DKKGASDHEPFQFD-LLVKDONJSA-N 0 0 393.369 3.246 20 10 GGCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000182540048 1430486482 /nfs/dbraw/zinc/48/64/82/1430486482.db2.gz ASRBGFXRDFJDOK-GFCCVEGCSA-N 0 0 395.242 3.074 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C3(C)OCCO3)C2)cc1F ZINC000182570568 1430495010 /nfs/dbraw/zinc/49/50/10/1430495010.db2.gz WEGXKQJZXPODBV-KRWDZBQOSA-N 0 0 393.503 3.357 20 10 GGCDRN COc1ccc(N(C)Cc2nnc(C(=O)Nc3ccccc3)s2)c(OC)c1 ZINC000182655244 1430511168 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CC(C)Cn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cn1 ZINC000182935253 1430575686 /nfs/dbraw/zinc/57/56/86/1430575686.db2.gz NQXKLXSXKGJGCO-NRFANRHFSA-N 0 0 384.524 3.427 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000182949856 1430579021 /nfs/dbraw/zinc/57/90/21/1430579021.db2.gz XKDRQCLNVDDPDW-UHFFFAOYSA-N 0 0 380.448 3.076 20 10 GGCDRN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000182975134 1430583724 /nfs/dbraw/zinc/58/37/24/1430583724.db2.gz CRVCPDIORYPNQP-UHFFFAOYSA-N 0 0 396.491 3.329 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000183012934 1430592413 /nfs/dbraw/zinc/59/24/13/1430592413.db2.gz UEHDGXUIVCTITP-UHFFFAOYSA-N 0 0 377.448 3.428 20 10 GGCDRN CCN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H](C)CS(C)(=O)=O ZINC000183072502 1430606327 /nfs/dbraw/zinc/60/63/27/1430606327.db2.gz KEHZKGCNEDEKKQ-INIZCTEOSA-N 0 0 377.506 3.226 20 10 GGCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183075135 1430606815 /nfs/dbraw/zinc/60/68/15/1430606815.db2.gz PAVZNPNRJJYMIV-INIZCTEOSA-N 0 0 377.506 3.226 20 10 GGCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183075114 1430606853 /nfs/dbraw/zinc/60/68/53/1430606853.db2.gz PAVZNPNRJJYMIV-MRXNPFEDSA-N 0 0 377.506 3.226 20 10 GGCDRN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000183122827 1430620704 /nfs/dbraw/zinc/62/07/04/1430620704.db2.gz UHIRXGJPWHBILS-IIBYNOLFSA-N 0 0 398.482 3.350 20 10 GGCDRN C[C@@H]1CN(c2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cc2)CCO1 ZINC000183140663 1430627092 /nfs/dbraw/zinc/62/70/92/1430627092.db2.gz KEKFVQHPAMAKRD-MRXNPFEDSA-N 0 0 396.491 3.409 20 10 GGCDRN Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C(=O)N(C)C ZINC000183198580 1430645840 /nfs/dbraw/zinc/64/58/40/1430645840.db2.gz JNHJAEXMWQELKG-UHFFFAOYSA-N 0 0 382.464 3.194 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccnc1OCC(F)F ZINC000183276678 1430667780 /nfs/dbraw/zinc/66/77/80/1430667780.db2.gz DYDJJXVXYZEFHZ-UHFFFAOYSA-N 0 0 378.379 3.222 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000183424962 1430708114 /nfs/dbraw/zinc/70/81/14/1430708114.db2.gz QGZXJMYGILCAMN-CQSZACIVSA-N 0 0 399.447 3.357 20 10 GGCDRN Cc1cc(-c2noc(CCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)n2)ccc1F ZINC000183433609 1430710747 /nfs/dbraw/zinc/71/07/47/1430710747.db2.gz VGGKZNBQXUUETQ-CYBMUJFWSA-N 0 0 399.422 3.275 20 10 GGCDRN CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183435848 1430711145 /nfs/dbraw/zinc/71/11/45/1430711145.db2.gz QHPKLHVBPMBNDJ-ZDUSSCGKSA-N 0 0 385.489 3.058 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000183436196 1430711581 /nfs/dbraw/zinc/71/15/81/1430711581.db2.gz DXHWJNYGJLGIEF-AWEZNQCLSA-N 0 0 395.459 3.203 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000183439404 1430712023 /nfs/dbraw/zinc/71/20/23/1430712023.db2.gz PGTBOMNOIQBIOT-ZDUSSCGKSA-N 0 0 395.459 3.217 20 10 GGCDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC000183457738 1430716374 /nfs/dbraw/zinc/71/63/74/1430716374.db2.gz JVRIACHURMIHLH-APWZRJJASA-N 0 0 396.487 3.006 20 10 GGCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC000183457713 1430716378 /nfs/dbraw/zinc/71/63/78/1430716378.db2.gz JVRIACHURMIHLH-QFBILLFUSA-N 0 0 396.487 3.006 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000183458118 1430716923 /nfs/dbraw/zinc/71/69/23/1430716923.db2.gz CPAXKSFUPVMHMJ-LBPRGKRZSA-N 0 0 387.461 3.279 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000183466737 1430718662 /nfs/dbraw/zinc/71/86/62/1430718662.db2.gz NBXZJSIRNZSBDW-ZDUSSCGKSA-N 0 0 380.400 3.304 20 10 GGCDRN Cc1ccccc1-n1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2c1CCC2 ZINC000183468015 1430719069 /nfs/dbraw/zinc/71/90/69/1430719069.db2.gz HOWYYWKSDBZBCI-OAHLLOKOSA-N 0 0 391.471 3.442 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000183476636 1430721554 /nfs/dbraw/zinc/72/15/54/1430721554.db2.gz MFAHLKBZAMNXKI-HNNXBMFYSA-N 0 0 378.428 3.433 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000183482951 1430723675 /nfs/dbraw/zinc/72/36/75/1430723675.db2.gz YAPUCZKGLCNBDJ-JTQLQIEISA-N 0 0 386.395 3.351 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000183484863 1430723942 /nfs/dbraw/zinc/72/39/42/1430723942.db2.gz BJKMTCCSOMOYMO-OAHLLOKOSA-N 0 0 392.455 3.118 20 10 GGCDRN CCc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(F)cc1 ZINC000183485050 1430724541 /nfs/dbraw/zinc/72/45/41/1430724541.db2.gz GLZWCOILKJRGIL-CYBMUJFWSA-N 0 0 383.423 3.346 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1N(C)C(=O)c1ccco1 ZINC000183488145 1430725174 /nfs/dbraw/zinc/72/51/74/1430725174.db2.gz ZJGPQWJFILXYMT-AWEZNQCLSA-N 0 0 394.427 3.328 20 10 GGCDRN COc1cc(N2CCN(Cc3ccc(F)cc3C#N)CC2)cc(OC)c1OC ZINC000183696258 1430775356 /nfs/dbraw/zinc/77/53/56/1430775356.db2.gz DINJAFLTBDPKTG-UHFFFAOYSA-N 0 0 385.439 3.045 20 10 GGCDRN COc1cc(N2CCN(Cc3nc4ccccc4o3)CC2)cc(OC)c1OC ZINC000183702410 1430776998 /nfs/dbraw/zinc/77/69/98/1430776998.db2.gz XOLJWLHETRCUEC-UHFFFAOYSA-N 0 0 383.448 3.176 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000183790105 1430794571 /nfs/dbraw/zinc/79/45/71/1430794571.db2.gz VPFVRHXJQDPRBM-UHFFFAOYSA-N 0 0 382.460 3.111 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 ZINC000183790539 1430794794 /nfs/dbraw/zinc/79/47/94/1430794794.db2.gz NRDJLLAULVKQNJ-JOCHJYFZSA-N 0 0 384.476 3.188 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000183806974 1430798470 /nfs/dbraw/zinc/79/84/70/1430798470.db2.gz PTZKTPWRIAVZPR-HNNXBMFYSA-N 0 0 388.439 3.033 20 10 GGCDRN Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1F ZINC000184063914 1430836683 /nfs/dbraw/zinc/83/66/83/1430836683.db2.gz XCBPTSHSDLQTSX-UHFFFAOYSA-N 0 0 394.537 3.307 20 10 GGCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c(C)n1-c1ccccn1 ZINC000184073286 1430837526 /nfs/dbraw/zinc/83/75/26/1430837526.db2.gz XXFWHZADUNZDCY-IEBWSBKVSA-N 0 0 381.476 3.089 20 10 GGCDRN CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000184082117 1430838706 /nfs/dbraw/zinc/83/87/06/1430838706.db2.gz STOSRTKTUMMYND-UNMCSNQZSA-N 0 0 388.552 3.497 20 10 GGCDRN CC(C)OC(=O)C[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000184122066 1430844188 /nfs/dbraw/zinc/84/41/88/1430844188.db2.gz FRXADQDANUVUKG-LJQANCHMSA-N 0 0 385.508 3.326 20 10 GGCDRN COc1ccc(N2CCC(NS(=O)(=O)Cc3ccc(C)c(F)c3)CC2)cc1 ZINC000184133808 1430845850 /nfs/dbraw/zinc/84/58/50/1430845850.db2.gz KZTIEQVDOYPNEE-UHFFFAOYSA-N 0 0 392.496 3.231 20 10 GGCDRN CCCCCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000184224903 1430858805 /nfs/dbraw/zinc/85/88/05/1430858805.db2.gz QJOLRPZAWXSPAD-UHFFFAOYSA-N 0 0 394.459 3.152 20 10 GGCDRN COc1ccc(N2CCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])CC2)cc1F ZINC000184233960 1430860175 /nfs/dbraw/zinc/86/01/75/1430860175.db2.gz DPFKAPUIMNBOCL-UHFFFAOYSA-N 0 0 393.390 3.212 20 10 GGCDRN CCOc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)cc1OC ZINC000184273021 1430865836 /nfs/dbraw/zinc/86/58/36/1430865836.db2.gz JSTUMNVFDQXHKA-UHFFFAOYSA-N 0 0 383.492 3.488 20 10 GGCDRN CN1CCCc2cc(CNS(=O)(=O)C3=Cc4ccccc4OCC3)ccc21 ZINC000184273649 1430866037 /nfs/dbraw/zinc/86/60/37/1430866037.db2.gz NTGDARPDKJIKSV-UHFFFAOYSA-N 0 0 384.501 3.312 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000184342106 1430875253 /nfs/dbraw/zinc/87/52/53/1430875253.db2.gz ZQSVCXNQCZMDHI-SFHVURJKSA-N 0 0 398.463 3.064 20 10 GGCDRN O=C(NCCC[C@@H]1CCCCO1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000184399099 1430883085 /nfs/dbraw/zinc/88/30/85/1430883085.db2.gz PGYYQSJEFWUXPZ-OALUTQOASA-N 0 0 376.497 3.432 20 10 GGCDRN O=C(NCCC[C@H]1CCCCO1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000184399153 1430883239 /nfs/dbraw/zinc/88/32/39/1430883239.db2.gz PGYYQSJEFWUXPZ-RTBURBONSA-N 0 0 376.497 3.432 20 10 GGCDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000184504376 1430896152 /nfs/dbraw/zinc/89/61/52/1430896152.db2.gz PGUMSTYZAJWVCY-UHFFFAOYSA-N 0 0 396.447 3.067 20 10 GGCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(OC)cccc2OC)cc1F ZINC000184522776 1430898160 /nfs/dbraw/zinc/89/81/60/1430898160.db2.gz KHSRAWHDFMXANE-UHFFFAOYSA-N 0 0 396.484 3.168 20 10 GGCDRN CSc1c(F)cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000184551591 1430903148 /nfs/dbraw/zinc/90/31/48/1430903148.db2.gz FWXJZBGQIMHUBA-UHFFFAOYSA-N 0 0 397.422 3.147 20 10 GGCDRN Cc1coc2ccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)cc12 ZINC000184596447 1430913755 /nfs/dbraw/zinc/91/37/55/1430913755.db2.gz RRKMDOXZJJYISV-UHFFFAOYSA-N 0 0 375.428 3.372 20 10 GGCDRN O=S(=O)(NCCCSc1nccs1)C1=Cc2ccccc2OCC1 ZINC000184676272 1430939783 /nfs/dbraw/zinc/93/97/83/1430939783.db2.gz MYAGGKXXLPRKRU-UHFFFAOYSA-N 0 0 382.532 3.368 20 10 GGCDRN COc1cc(N2CCN(Cc3c[nH]nc3C(C)(C)C)CC2)cc(OC)c1OC ZINC000184751879 1430966154 /nfs/dbraw/zinc/96/61/54/1430966154.db2.gz ULZFALYKYIFSEV-UHFFFAOYSA-N 0 0 388.512 3.055 20 10 GGCDRN COc1cc(N2CCN(CC3=Cc4ccccc4OC3)CC2)cc(OC)c1OC ZINC000184753876 1430966847 /nfs/dbraw/zinc/96/68/47/1430966847.db2.gz DCQTTWLWGIRWMU-UHFFFAOYSA-N 0 0 396.487 3.310 20 10 GGCDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000184758002 1430968519 /nfs/dbraw/zinc/96/85/19/1430968519.db2.gz WXQLJQGHUOMFGY-INIZCTEOSA-N 0 0 379.476 3.155 20 10 GGCDRN C[C@@H](c1nccs1)N1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000184760929 1430969087 /nfs/dbraw/zinc/96/90/87/1430969087.db2.gz BIRYCEBSMLTDBM-INIZCTEOSA-N 0 0 399.564 3.114 20 10 GGCDRN CN1CCCc2cc(CNC(=O)N3CCC(O)(c4ccccc4)CC3)ccc21 ZINC000184760540 1430969322 /nfs/dbraw/zinc/96/93/22/1430969322.db2.gz KHROYYAYOWVIOV-UHFFFAOYSA-N 0 0 379.504 3.262 20 10 GGCDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000184760465 1430969419 /nfs/dbraw/zinc/96/94/19/1430969419.db2.gz MVFTWGUXTMSKMP-SFHVURJKSA-N 0 0 387.524 3.332 20 10 GGCDRN CC[C@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000184775351 1430974302 /nfs/dbraw/zinc/97/43/02/1430974302.db2.gz KJSYSHZSRUDYQA-FXAWDEMLSA-N 0 0 378.488 3.264 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@@H]3CCC[C@H]3C)CC2)cc(OC)c1OC ZINC000184793377 1430979552 /nfs/dbraw/zinc/97/95/52/1430979552.db2.gz ADQGGTZSKYDGHN-CVEARBPZSA-N 0 0 376.497 3.187 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@H]3CCC[C@@H]3C)CC2)cc(OC)c1OC ZINC000184793358 1430979745 /nfs/dbraw/zinc/97/97/45/1430979745.db2.gz ADQGGTZSKYDGHN-JKSUJKDBSA-N 0 0 376.497 3.187 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)CN2C[C@@H]3CCC(=O)c4cccc2c43)cc1 ZINC000184799602 1430981231 /nfs/dbraw/zinc/98/12/31/1430981231.db2.gz LGWBZGQFPGTXPE-KRWDZBQOSA-N 0 0 377.488 3.291 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cccc4[nH]ccc43)CC2)cc(OC)c1OC ZINC000184867111 1431007138 /nfs/dbraw/zinc/00/71/38/1431007138.db2.gz RXZZEAPUAATXEL-UHFFFAOYSA-N 0 0 395.459 3.156 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cc(COC(C)(C)C)on3)CC2)cc1F ZINC000184959457 1431030848 /nfs/dbraw/zinc/03/08/48/1431030848.db2.gz QGNYIJRONOTMJZ-UHFFFAOYSA-N 0 0 391.443 3.100 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(O)(c2ccccc2)CC1 ZINC000184971153 1431033885 /nfs/dbraw/zinc/03/38/85/1431033885.db2.gz CRTFJRUSPBLYET-UHFFFAOYSA-N 0 0 377.488 3.256 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1 ZINC000185107749 1431062279 /nfs/dbraw/zinc/06/22/79/1431062279.db2.gz NPEPZZUVAUDCQG-HXUWFJFHSA-N 0 0 395.503 3.140 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(=O)[nH]c(C3CC3)c2)cc1 ZINC000185107725 1431062404 /nfs/dbraw/zinc/06/24/04/1431062404.db2.gz NPEPZZUVAUDCQG-FQEVSTJZSA-N 0 0 395.503 3.140 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)cc1 ZINC000185123276 1431066071 /nfs/dbraw/zinc/06/60/71/1431066071.db2.gz WHYWKCFKNXMGLO-UHFFFAOYSA-N 0 0 376.522 3.379 20 10 GGCDRN COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185255036 1431094865 /nfs/dbraw/zinc/09/48/65/1431094865.db2.gz IERMBDATCWRUPF-HNNXBMFYSA-N 0 0 386.467 3.424 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)c3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000185324299 1431114146 /nfs/dbraw/zinc/11/41/46/1431114146.db2.gz AAHRAQRXLQRMRV-UHFFFAOYSA-N 0 0 387.480 3.351 20 10 GGCDRN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185355963 1431124624 /nfs/dbraw/zinc/12/46/24/1431124624.db2.gz PLLFZDZHZVYIFF-CQSZACIVSA-N 0 0 380.485 3.210 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000185386472 1431133239 /nfs/dbraw/zinc/13/32/39/1431133239.db2.gz JPDFILXTKNICEV-HNNXBMFYSA-N 0 0 398.503 3.263 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc(OC)c1OC ZINC000185478728 1431154276 /nfs/dbraw/zinc/15/42/76/1431154276.db2.gz VSTMURKFOLOADT-UHFFFAOYSA-N 0 0 388.439 3.122 20 10 GGCDRN COc1cc(N2CCN(C(=O)[C@@H](C)c3ccccc3)CC2)cc(OC)c1OC ZINC000185481877 1431154633 /nfs/dbraw/zinc/15/46/33/1431154633.db2.gz QNXPRKRQIAOZDL-INIZCTEOSA-N 0 0 384.476 3.165 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc(F)cc3C)CC2)cc(OC)c1OC ZINC000185485548 1431155569 /nfs/dbraw/zinc/15/55/69/1431155569.db2.gz GAIHQXVZLAQOKH-UHFFFAOYSA-N 0 0 388.439 3.122 20 10 GGCDRN CC[C@H](CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C(C)C ZINC000185494939 1431157303 /nfs/dbraw/zinc/15/73/03/1431157303.db2.gz YZKIEGQNNKIULO-MRXNPFEDSA-N 0 0 378.513 3.433 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3ccc(F)c(C)c3)CC2)cc(OC)c1OC ZINC000185502165 1431159167 /nfs/dbraw/zinc/15/91/67/1431159167.db2.gz QMLFKHONJVTMCY-UHFFFAOYSA-N 0 0 388.439 3.122 20 10 GGCDRN CCc1ccc(CC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000185510712 1431161132 /nfs/dbraw/zinc/16/11/32/1431161132.db2.gz QBBIEOYHFOXCMO-UHFFFAOYSA-N 0 0 398.503 3.166 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@H]3CC[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000185515202 1431162332 /nfs/dbraw/zinc/16/23/32/1431162332.db2.gz PRJXLDREUIMMQT-CVEARBPZSA-N 0 0 376.497 3.187 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@H]3CC[C@H](C)C3)CC2)cc(OC)c1OC ZINC000185515221 1431162586 /nfs/dbraw/zinc/16/25/86/1431162586.db2.gz PRJXLDREUIMMQT-HOTGVXAUSA-N 0 0 376.497 3.187 20 10 GGCDRN COc1ccc2c(c1)nc(CNC(=O)NCc1ccc(N3CCCC3)cc1)n2C ZINC000185589104 1431177792 /nfs/dbraw/zinc/17/77/92/1431177792.db2.gz QFULSCOXJKNSLL-UHFFFAOYSA-N 0 0 393.491 3.182 20 10 GGCDRN COc1cc(C#N)ccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000185718088 1431214431 /nfs/dbraw/zinc/21/44/31/1431214431.db2.gz CBOGRMKVXDMTPX-UHFFFAOYSA-N 0 0 386.473 3.406 20 10 GGCDRN Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(N3CCC(CO)CC3)cc1)CO2 ZINC000185782622 1431234450 /nfs/dbraw/zinc/23/44/50/1431234450.db2.gz UUCWRVOPDNFHAT-JOCHJYFZSA-N 0 0 394.515 3.305 20 10 GGCDRN CCCCn1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)n1 ZINC000185782443 1431234555 /nfs/dbraw/zinc/23/45/55/1431234555.db2.gz DXJNNZQJAJOONP-UHFFFAOYSA-N 0 0 384.524 3.130 20 10 GGCDRN COC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCCCC1 ZINC000185890292 1431265180 /nfs/dbraw/zinc/26/51/80/1431265180.db2.gz KVUKTELEABGBAX-SFHVURJKSA-N 0 0 376.497 3.432 20 10 GGCDRN C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185974634 1431302628 /nfs/dbraw/zinc/30/26/28/1431302628.db2.gz LYQCQAQLHBRMJU-OAHLLOKOSA-N 0 0 392.496 3.283 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc2cc(OC)ccc2n1C ZINC000185983691 1431304853 /nfs/dbraw/zinc/30/48/53/1431304853.db2.gz FZXWLPWZPXODTN-UHFFFAOYSA-N 0 0 382.464 3.409 20 10 GGCDRN Cc1c(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n(C)nc1C(F)(F)F ZINC000186123908 1431335729 /nfs/dbraw/zinc/33/57/29/1431335729.db2.gz DVJGBWDJGCKOTD-VMPITWQZSA-N 0 0 394.397 3.236 20 10 GGCDRN CSCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000186220151 1431355413 /nfs/dbraw/zinc/35/54/13/1431355413.db2.gz JNCSPVHUZZAQQK-UHFFFAOYSA-N 0 0 383.517 3.405 20 10 GGCDRN CC(C)c1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1-c1cccc(F)c1 ZINC000186379187 1431396238 /nfs/dbraw/zinc/39/62/38/1431396238.db2.gz FCHNLHHTCHQQCI-CYBMUJFWSA-N 0 0 398.438 3.302 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186378021 1431396260 /nfs/dbraw/zinc/39/62/60/1431396260.db2.gz PTPLHHKRQOIZAD-LLVKDONJSA-N 0 0 399.428 3.491 20 10 GGCDRN COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)[nH]2)c1 ZINC000186390509 1431398970 /nfs/dbraw/zinc/39/89/70/1431398970.db2.gz CZNHBYBAZSDTJU-LBPRGKRZSA-N 0 0 381.432 3.166 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OCc2ccccc2)nc1 ZINC000186394285 1431399776 /nfs/dbraw/zinc/39/97/76/1431399776.db2.gz DSOBRFZBMXIJIF-OAHLLOKOSA-N 0 0 378.428 3.433 20 10 GGCDRN CCCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186395694 1431400641 /nfs/dbraw/zinc/40/06/41/1431400641.db2.gz HZUOGWLVJVARBV-HNNXBMFYSA-N 0 0 395.459 3.433 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000186402837 1431403403 /nfs/dbraw/zinc/40/34/03/1431403403.db2.gz NUDVBIBRGPUFQI-AWEZNQCLSA-N 0 0 382.485 3.435 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000186402853 1431403528 /nfs/dbraw/zinc/40/35/28/1431403528.db2.gz NUDVBIBRGPUFQI-CQSZACIVSA-N 0 0 382.485 3.435 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCC2=O)ccc1Cl ZINC000186416322 1431410543 /nfs/dbraw/zinc/41/05/43/1431410543.db2.gz BWXSRCVUMLHCRU-GFCCVEGCSA-N 0 0 388.851 3.239 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000186424137 1431414203 /nfs/dbraw/zinc/41/42/03/1431414203.db2.gz REOLHQRDQNVMJJ-AWEZNQCLSA-N 0 0 390.439 3.456 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2sc(N(C)C)nc2s1 ZINC000186429233 1431416078 /nfs/dbraw/zinc/41/60/78/1431416078.db2.gz XVGUFHAMIUQTIG-VIFPVBQESA-N 0 0 377.491 3.196 20 10 GGCDRN CN(C)C(=O)c1cc(F)ccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000186446866 1431421724 /nfs/dbraw/zinc/42/17/24/1431421724.db2.gz OZQSONWOUNTMRM-BJMVGYQFSA-N 0 0 397.450 3.016 20 10 GGCDRN CC(=O)c1cc(F)cc(CN2CCC(O)(c3c(F)cccc3F)CC2)c1O ZINC000186504984 1431439750 /nfs/dbraw/zinc/43/97/50/1431439750.db2.gz OJHGDRGWHPTWNY-UHFFFAOYSA-N 0 0 379.378 3.496 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NCCC[C@H]3CCCCO3)CC2)cc1F ZINC000186602971 1431465908 /nfs/dbraw/zinc/46/59/08/1431465908.db2.gz CLXHDLSDSXTKMJ-QGZVFWFLSA-N 0 0 379.476 3.015 20 10 GGCDRN COc1ccc(N2CCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)cc1F ZINC000186602950 1431465938 /nfs/dbraw/zinc/46/59/38/1431465938.db2.gz CLXHDLSDSXTKMJ-KRWDZBQOSA-N 0 0 379.476 3.015 20 10 GGCDRN O=C(NCCC[C@@H]1CCCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186644187 1431478974 /nfs/dbraw/zinc/47/89/74/1431478974.db2.gz KXWMECCTPPTCJD-NRFANRHFSA-N 0 0 389.540 3.044 20 10 GGCDRN Cc1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC000186663039 1431484743 /nfs/dbraw/zinc/48/47/43/1431484743.db2.gz VPANSLWYECPIEP-GOSISDBHSA-N 0 0 383.492 3.105 20 10 GGCDRN Cc1cc(C)n(-c2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn2)n1 ZINC000186665072 1431485275 /nfs/dbraw/zinc/48/52/75/1431485275.db2.gz BMJWIIXJVLGLMC-GFCCVEGCSA-N 0 0 381.436 3.048 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)cc1 ZINC000186694174 1431494269 /nfs/dbraw/zinc/49/42/69/1431494269.db2.gz XRNARERKRWCCGR-MRXNPFEDSA-N 0 0 390.528 3.199 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(F)cc1[O-] ZINC000186716184 1431499383 /nfs/dbraw/zinc/49/93/83/1431499383.db2.gz MBKUAQKEWMSOOH-LBPRGKRZSA-N 0 0 382.432 3.061 20 10 GGCDRN COc1ccc(Cn2ccc(NC(=O)NCc3ccc(N(C)C)cc3)n2)cc1 ZINC000186831496 1431531567 /nfs/dbraw/zinc/53/15/67/1431531567.db2.gz MTDNEAFIWCXSMH-UHFFFAOYSA-N 0 0 379.464 3.328 20 10 GGCDRN CSc1ccccc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186893385 1431557059 /nfs/dbraw/zinc/55/70/59/1431557059.db2.gz SYEZEMYKUWCGFT-UHFFFAOYSA-N 0 0 392.546 3.066 20 10 GGCDRN CSc1ccccc1S(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000186991662 1431584646 /nfs/dbraw/zinc/58/46/46/1431584646.db2.gz YWGRUZKRTXBFSW-UHFFFAOYSA-N 0 0 394.587 3.440 20 10 GGCDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1nccs1 ZINC000187030809 1431595208 /nfs/dbraw/zinc/59/52/08/1431595208.db2.gz DEUBPSSCRJXILG-GOEBONIOSA-N 0 0 375.494 3.343 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC000187042362 1431598251 /nfs/dbraw/zinc/59/82/51/1431598251.db2.gz WXQUPSBROZEXJD-UHFFFAOYSA-N 0 0 389.446 3.224 20 10 GGCDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C)c(O)c(C)c3C)cc2C[C@H]1C ZINC000187062216 1431602585 /nfs/dbraw/zinc/60/25/85/1431602585.db2.gz GMAUXXLCYUDPKW-GFCCVEGCSA-N 0 0 388.489 3.416 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000187106984 1431617219 /nfs/dbraw/zinc/61/72/19/1431617219.db2.gz PDMRVZJFKZZMKK-IBGZPJMESA-N 0 0 375.419 3.314 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3c(F)ccc(F)c3F)c2)CC1 ZINC000187119670 1431621507 /nfs/dbraw/zinc/62/15/07/1431621507.db2.gz NGFWZDVFNGQOKQ-UHFFFAOYSA-N 0 0 377.366 3.025 20 10 GGCDRN O=C(N[C@@H]1CCC[C@@H]1CCO)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000187340858 1431702896 /nfs/dbraw/zinc/70/28/96/1431702896.db2.gz FQUNGQYHDASOPU-RVKKMQEKSA-N 0 0 397.466 3.107 20 10 GGCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)ccc1F ZINC000187393125 1431717513 /nfs/dbraw/zinc/71/75/13/1431717513.db2.gz RSSPBDZCRUXFCV-UHFFFAOYSA-N 0 0 399.466 3.326 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187408606 1431721740 /nfs/dbraw/zinc/72/17/40/1431721740.db2.gz NTKHALVFKFBTFG-FQEVSTJZSA-N 0 0 389.565 3.340 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CSCCc3cccs3)CC2)cc1 ZINC000187565192 1431768842 /nfs/dbraw/zinc/76/88/42/1431768842.db2.gz ZEAMDLREMOIAIZ-UHFFFAOYSA-N 0 0 376.547 3.381 20 10 GGCDRN CC(C)(C)OCc1cc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)no1 ZINC000187638094 1431785242 /nfs/dbraw/zinc/78/52/42/1431785242.db2.gz JEWMJHXBHSKFED-RMKNXTFCSA-N 0 0 399.491 3.156 20 10 GGCDRN COc1ccc(N2CCCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187730884 1431805044 /nfs/dbraw/zinc/80/50/44/1431805044.db2.gz VVKDIIAAQBLLRR-KRWDZBQOSA-N 0 0 388.533 3.372 20 10 GGCDRN Cc1cc(-c2ncccc2NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cs1 ZINC000187790979 1431812822 /nfs/dbraw/zinc/81/28/22/1431812822.db2.gz CRQPPBBIZAANNR-UHFFFAOYSA-N 0 0 394.500 3.439 20 10 GGCDRN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000187834432 1431818107 /nfs/dbraw/zinc/81/81/07/1431818107.db2.gz IREHMZAIJBMTBC-UHFFFAOYSA-N 0 0 396.422 3.110 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C2CCCCC2)cc1)c1nnnn1C1CC1 ZINC000187835870 1431818156 /nfs/dbraw/zinc/81/81/56/1431818156.db2.gz OGPWSJWYNWMMRJ-HNNXBMFYSA-N 0 0 397.527 3.337 20 10 GGCDRN CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000187877399 1431823180 /nfs/dbraw/zinc/82/31/80/1431823180.db2.gz PRJWVAVEXCGDMB-JOYOIKCWSA-N 0 0 378.383 3.277 20 10 GGCDRN COC(=O)Cn1ncc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1C ZINC000187993704 1431834431 /nfs/dbraw/zinc/83/44/31/1431834431.db2.gz XQSFATZBIIOQKG-UHFFFAOYSA-N 0 0 396.447 3.033 20 10 GGCDRN COCCO[C@H]1CCN(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1 ZINC000187997853 1431834807 /nfs/dbraw/zinc/83/48/07/1431834807.db2.gz UNKDHQVOXJJWCS-NRFANRHFSA-N 0 0 389.540 3.402 20 10 GGCDRN CN(CC1(O)CCOCC1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000187997955 1431835080 /nfs/dbraw/zinc/83/50/80/1431835080.db2.gz IHKDBIVGDFSSPX-UHFFFAOYSA-N 0 0 389.540 3.138 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(C(=O)C(F)(F)F)CC1 ZINC000188090854 1431845348 /nfs/dbraw/zinc/84/53/48/1431845348.db2.gz BGIWCZZMYBWKBA-UHFFFAOYSA-N 0 0 381.398 3.116 20 10 GGCDRN CN1CCCc2cc(CNC(=O)NCC3CCN(CC(F)(F)F)CC3)ccc21 ZINC000188105365 1431847262 /nfs/dbraw/zinc/84/72/62/1431847262.db2.gz MGADPVSSQWUKST-UHFFFAOYSA-N 0 0 398.473 3.143 20 10 GGCDRN CS[C@@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000188116500 1431848706 /nfs/dbraw/zinc/84/87/06/1431848706.db2.gz OZPMMKIRGQTBSO-OAQYLSRUSA-N 0 0 397.544 3.076 20 10 GGCDRN CS[C@H](C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)c1ccccc1 ZINC000188116526 1431848721 /nfs/dbraw/zinc/84/87/21/1431848721.db2.gz OZPMMKIRGQTBSO-NRFANRHFSA-N 0 0 397.544 3.076 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C3(c4ccccc4C)CC3)cc2)CC1 ZINC000188117791 1431848963 /nfs/dbraw/zinc/84/89/63/1431848963.db2.gz RQWHOWKCRRSHMY-UHFFFAOYSA-N 0 0 391.515 3.012 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)c3ccccc3C)cc2)CC1 ZINC000188124160 1431849735 /nfs/dbraw/zinc/84/97/35/1431849735.db2.gz CMZPLQSVWDDYPJ-UHFFFAOYSA-N 0 0 393.531 3.258 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000188325628 1431873378 /nfs/dbraw/zinc/87/33/78/1431873378.db2.gz ZWTPTDOBBFOTCW-FQEVSTJZSA-N 0 0 399.466 3.328 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)c3c(F)ccc(OC)c3OC)CC2)cc1 ZINC000188379939 1431879156 /nfs/dbraw/zinc/87/91/56/1431879156.db2.gz OQXSIZDRPNOTKW-UHFFFAOYSA-N 0 0 388.439 3.250 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)cc1F ZINC000188406074 1431881418 /nfs/dbraw/zinc/88/14/18/1431881418.db2.gz HEOUYCOFSSTQHN-UHFFFAOYSA-N 0 0 383.345 3.211 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000188626548 1431907746 /nfs/dbraw/zinc/90/77/46/1431907746.db2.gz NNAPLLFETGQMBG-DEOSSOPVSA-N 0 0 393.531 3.103 20 10 GGCDRN C[C@@H](c1nnnn1C1CCCCC1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000188638941 1431913531 /nfs/dbraw/zinc/91/35/31/1431913531.db2.gz MIWOXSRBHOKHPR-KRWDZBQOSA-N 0 0 384.528 3.208 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188703571 1431939352 /nfs/dbraw/zinc/93/93/52/1431939352.db2.gz RXFJYRLCNGSUPX-UHFFFAOYSA-N 0 0 396.447 3.168 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000188797000 1431979287 /nfs/dbraw/zinc/97/92/87/1431979287.db2.gz BLIBSYZPXRGHEA-UHFFFAOYSA-N 0 0 380.510 3.340 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnc(F)c2F)cc1 ZINC000188810383 1431984751 /nfs/dbraw/zinc/98/47/51/1431984751.db2.gz SSQCYWAVEPGGHJ-INIZCTEOSA-N 0 0 375.419 3.247 20 10 GGCDRN Cc1nc(COc2ccccc2C(=O)N2CCOc3cc(N(C)C)ccc32)no1 ZINC000188910353 1432007104 /nfs/dbraw/zinc/00/71/04/1432007104.db2.gz XAIKDXQWMNERHJ-UHFFFAOYSA-N 0 0 394.431 3.062 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000188908997 1432007109 /nfs/dbraw/zinc/00/71/09/1432007109.db2.gz DDELWBSGHKYKTB-UHFFFAOYSA-N 0 0 384.451 3.366 20 10 GGCDRN CN(Cc1nc(-c2ccccc2F)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000188943697 1432013603 /nfs/dbraw/zinc/01/36/03/1432013603.db2.gz VNVVSDPMXNSCTF-UHFFFAOYSA-N 0 0 382.439 3.344 20 10 GGCDRN CC(=O)Nc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000189001158 1432025037 /nfs/dbraw/zinc/02/50/37/1432025037.db2.gz YVXXYZPCUVBWGA-GOSISDBHSA-N 0 0 382.460 3.480 20 10 GGCDRN COC(=O)C[C@@](C)(NC(=O)c1cc(C)n(-c2ccccn2)c1C)c1ccccn1 ZINC000189113092 1432046978 /nfs/dbraw/zinc/04/69/78/1432046978.db2.gz MYEKBXQCIJYOLN-JOCHJYFZSA-N 0 0 392.459 3.092 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000189147772 1432052531 /nfs/dbraw/zinc/05/25/31/1432052531.db2.gz ODOVYLKFKAGALZ-UHFFFAOYSA-N 0 0 392.393 3.041 20 10 GGCDRN C[C@H](O)[C@@](C)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)Cc1ccccc1 ZINC000189218741 1432065306 /nfs/dbraw/zinc/06/53/06/1432065306.db2.gz ANNZRYSDDRRBLP-YADARESESA-N 0 0 393.531 3.492 20 10 GGCDRN O=C(NCCCSc1nccs1)NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189318500 1432085085 /nfs/dbraw/zinc/08/50/85/1432085085.db2.gz UTHMVXFQKHZZOV-BXUZGUMPSA-N 0 0 397.488 3.408 20 10 GGCDRN O=C(Nc1cnn(CC2CC2)c1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000189323025 1432086054 /nfs/dbraw/zinc/08/60/54/1432086054.db2.gz NJTLSMYAYWEUSJ-UHFFFAOYSA-N 0 0 396.491 3.299 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)c(F)c(F)c3)c2)CC1 ZINC000189328184 1432087124 /nfs/dbraw/zinc/08/71/24/1432087124.db2.gz JMWBNPNAPKMJHY-UHFFFAOYSA-N 0 0 377.366 3.025 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)cc4cccnc43)c2)CC1 ZINC000189337245 1432089002 /nfs/dbraw/zinc/08/90/02/1432089002.db2.gz BIKDVMDKZDECBB-UHFFFAOYSA-N 0 0 392.434 3.295 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4ccc(C)nc43)c2)CC1 ZINC000189338090 1432089184 /nfs/dbraw/zinc/08/91/84/1432089184.db2.gz WBSWLNIAERGPGR-UHFFFAOYSA-N 0 0 388.471 3.464 20 10 GGCDRN CCCOc1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000189341816 1432089755 /nfs/dbraw/zinc/08/97/55/1432089755.db2.gz RCUXXSIPVCNBBD-UHFFFAOYSA-N 0 0 381.476 3.396 20 10 GGCDRN COCCc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000189434685 1432109657 /nfs/dbraw/zinc/10/96/57/1432109657.db2.gz UWABKIHEVNPYDK-UHFFFAOYSA-N 0 0 383.492 3.376 20 10 GGCDRN COc1ccncc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189446803 1432114627 /nfs/dbraw/zinc/11/46/27/1432114627.db2.gz YJWURAWKTGWGHZ-OAHLLOKOSA-N 0 0 390.443 3.405 20 10 GGCDRN CCc1ncc(NC(=O)C(=O)N(c2ccc(N)cc2)[C@@H](C)c2ccccc2)cn1 ZINC000189445900 1432114662 /nfs/dbraw/zinc/11/46/62/1432114662.db2.gz LOVZZLKHXDRDAA-HNNXBMFYSA-N 0 0 389.459 3.354 20 10 GGCDRN COc1ncccc1NC(=O)C(=O)N(c1ccc(N)cc1)[C@H](C)c1ccccc1 ZINC000189449477 1432115378 /nfs/dbraw/zinc/11/53/78/1432115378.db2.gz RQMGLTAYGOZHBI-OAHLLOKOSA-N 0 0 390.443 3.405 20 10 GGCDRN CCCOc1ccc(CNc2cccc(N3CCN(C(C)=O)CC3)c2)c(O)c1 ZINC000189488406 1432133303 /nfs/dbraw/zinc/13/33/03/1432133303.db2.gz NDHNXIWALGYRBU-UHFFFAOYSA-N 0 0 383.492 3.462 20 10 GGCDRN CCOc1cccc(CNc2cccc(CN3CCN(C(C)=O)CC3)c2)c1O ZINC000189517573 1432144917 /nfs/dbraw/zinc/14/49/17/1432144917.db2.gz ITUCJMNDJDHWKA-UHFFFAOYSA-N 0 0 383.492 3.067 20 10 GGCDRN COCCc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000189536249 1432152739 /nfs/dbraw/zinc/15/27/39/1432152739.db2.gz ZOZMLMWDSLPUBC-UHFFFAOYSA-N 0 0 397.519 3.406 20 10 GGCDRN COC(=O)[C@](C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000189587997 1432168641 /nfs/dbraw/zinc/16/86/41/1432168641.db2.gz AIOOAPAOBUTWQA-HSZRJFAPSA-N 0 0 395.503 3.217 20 10 GGCDRN O=S(=O)(CCc1cccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189641047 1432188397 /nfs/dbraw/zinc/18/83/97/1432188397.db2.gz QJFDPBXBKZVOMU-INIZCTEOSA-N 0 0 381.519 3.007 20 10 GGCDRN CN(Cc1cnn(C)c1)C(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000189645410 1432188806 /nfs/dbraw/zinc/18/88/06/1432188806.db2.gz AHLOXLIBKNMEMQ-UHFFFAOYSA-N 0 0 378.476 3.094 20 10 GGCDRN C[C@H](C1CC1)n1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000189677205 1432200636 /nfs/dbraw/zinc/20/06/36/1432200636.db2.gz LVNVOBWMGNLNTN-MRXNPFEDSA-N 0 0 383.496 3.355 20 10 GGCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(C)csc2C(=O)OC)cc1 ZINC000190013081 1432304957 /nfs/dbraw/zinc/30/49/57/1432304957.db2.gz WSIYVTKQZXQCQW-UHFFFAOYSA-N 0 0 396.534 3.168 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCO[C@@H]2c2nccn2CC)cc1 ZINC000190082254 1432316693 /nfs/dbraw/zinc/31/66/93/1432316693.db2.gz HFXIJIIANNQADH-PMACEKPBSA-N 0 0 399.539 3.469 20 10 GGCDRN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000190106968 1432320855 /nfs/dbraw/zinc/32/08/55/1432320855.db2.gz SJAWURYLCVWTHE-ICSRJNTNSA-N 0 0 393.491 3.356 20 10 GGCDRN COC(=O)Cc1cccc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n1 ZINC000190131937 1432325470 /nfs/dbraw/zinc/32/54/70/1432325470.db2.gz WZASJBCSOYJSLG-UHFFFAOYSA-N 0 0 388.427 3.329 20 10 GGCDRN CCOC1CC(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000190143503 1432327278 /nfs/dbraw/zinc/32/72/78/1432327278.db2.gz JVHNYCTYCYJUBJ-UHFFFAOYSA-N 0 0 377.554 3.244 20 10 GGCDRN O=C(c1cccc(NCc2ccc(N3CCCCC3)cc2)n1)N1CCC[C@@H]1CO ZINC000190205146 1432340868 /nfs/dbraw/zinc/34/08/68/1432340868.db2.gz IUOBNLOAFOBKSR-HXUWFJFHSA-N 0 0 394.519 3.281 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000190369188 1432368326 /nfs/dbraw/zinc/36/83/26/1432368326.db2.gz XRRAEROIYTXKCN-UHFFFAOYSA-N 0 0 381.457 3.037 20 10 GGCDRN CC(C)c1c(NC(=O)C(=O)N(C)Cc2ccccc2O)cnn1-c1ccccc1 ZINC000190386326 1432371345 /nfs/dbraw/zinc/37/13/45/1432371345.db2.gz MOTRXFZTITWTRS-UHFFFAOYSA-N 0 0 392.459 3.298 20 10 GGCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cn1 ZINC000190400720 1432374278 /nfs/dbraw/zinc/37/42/78/1432374278.db2.gz JAWWZIUCNLBIJD-FOWTUZBSSA-N 0 0 384.530 3.377 20 10 GGCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cn1 ZINC000190403401 1432374617 /nfs/dbraw/zinc/37/46/17/1432374617.db2.gz JWRCSSLHFCJYCD-LFIBNONCSA-N 0 0 384.530 3.377 20 10 GGCDRN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000190429548 1432380129 /nfs/dbraw/zinc/38/01/29/1432380129.db2.gz NRDKKUZPWRXZRF-BBRMVZONSA-N 0 0 380.832 3.180 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc2ccn(C)c21 ZINC000190477767 1432389017 /nfs/dbraw/zinc/38/90/17/1432389017.db2.gz GBTPRTKSNFFIGM-UHFFFAOYSA-N 0 0 378.476 3.232 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(-c2ncco2)cc1 ZINC000190481414 1432390050 /nfs/dbraw/zinc/39/00/50/1432390050.db2.gz KIZOCZDBFFBPJZ-UHFFFAOYSA-N 0 0 379.416 3.425 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)Cc3ccc(C)cc3)cc2)CC1 ZINC000190572391 1432409990 /nfs/dbraw/zinc/40/99/90/1432409990.db2.gz AZCIIOHEKOLTAC-IBGZPJMESA-N 0 0 393.531 3.159 20 10 GGCDRN CCc1ccc(CCC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000190571927 1432410053 /nfs/dbraw/zinc/41/00/53/1432410053.db2.gz YRPBRPXLMWRHBH-UHFFFAOYSA-N 0 0 393.531 3.167 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)c(F)c3)cc2)CC1 ZINC000190576540 1432411591 /nfs/dbraw/zinc/41/15/91/1432411591.db2.gz LKUVEOWFXMJOLU-UHFFFAOYSA-N 0 0 389.858 3.078 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)c(F)c(C)c3)cc2)CC1 ZINC000190580757 1432412440 /nfs/dbraw/zinc/41/24/40/1432412440.db2.gz LCIQKHAGLKZKCT-UHFFFAOYSA-N 0 0 383.467 3.041 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3oc4ccccc4c3C)cc2)CC1 ZINC000190582262 1432412716 /nfs/dbraw/zinc/41/27/16/1432412716.db2.gz JXWMJFRNANOLGB-UHFFFAOYSA-N 0 0 391.471 3.340 20 10 GGCDRN CSc1ccccc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000190583482 1432413052 /nfs/dbraw/zinc/41/30/52/1432413052.db2.gz UKMAINJOSWDBGU-UHFFFAOYSA-N 0 0 383.517 3.007 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccn(Cc2ccccc2)c1=O ZINC000190976113 1432541506 /nfs/dbraw/zinc/54/15/06/1432541506.db2.gz JOMCHVWQLAWSCO-HNNXBMFYSA-N 0 0 393.443 3.061 20 10 GGCDRN COCCn1ccc2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc21 ZINC000190984987 1432543803 /nfs/dbraw/zinc/54/38/03/1432543803.db2.gz POVAMCIMYPKYFT-AWEZNQCLSA-N 0 0 383.448 3.452 20 10 GGCDRN Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000191041011 1432555570 /nfs/dbraw/zinc/55/55/70/1432555570.db2.gz ZXQQKNIRNXFOCI-UHFFFAOYSA-N 0 0 388.483 3.198 20 10 GGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cc(OC)ccc3OC)CC2)cc1 ZINC000191067432 1432561264 /nfs/dbraw/zinc/56/12/64/1432561264.db2.gz LTPCITMDRWKOHW-TZIWHRDSSA-N 0 0 396.487 3.165 20 10 GGCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c(N(C)C)c1 ZINC000191148922 1432576773 /nfs/dbraw/zinc/57/67/73/1432576773.db2.gz FJWUMGQPFHLQCS-UHFFFAOYSA-N 0 0 394.475 3.237 20 10 GGCDRN C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1ccc(F)c(F)c1[O-] ZINC000191196286 1432587921 /nfs/dbraw/zinc/58/79/21/1432587921.db2.gz SWHGJCKXIQFDLV-AWEZNQCLSA-N 0 0 389.446 3.424 20 10 GGCDRN O=C(CN1CCC=Cc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191285431 1432620976 /nfs/dbraw/zinc/62/09/76/1432620976.db2.gz CZEZUQGEPCZSCH-UHFFFAOYSA-N 0 0 395.478 3.202 20 10 GGCDRN Cc1cnc(COC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000191406689 1432655537 /nfs/dbraw/zinc/65/55/37/1432655537.db2.gz KMGNNXGXYNQZSD-VMPITWQZSA-N 0 0 397.431 3.200 20 10 GGCDRN CC(C)Oc1ccc(N(C)CC(=O)NCc2ccccc2Cn2cccn2)cc1 ZINC000191591077 1432688144 /nfs/dbraw/zinc/68/81/44/1432688144.db2.gz LLHSZMAOXXHBMO-UHFFFAOYSA-N 0 0 392.503 3.471 20 10 GGCDRN Cc1cc(C(=O)CN2CC[C@H](C)S(=O)(=O)CC2)c(C)n1-c1ccccc1C ZINC000191706195 1432710332 /nfs/dbraw/zinc/71/03/32/1432710332.db2.gz LKNKLJVAOZZSQV-KRWDZBQOSA-N 0 0 388.533 3.094 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3ccc4cc(C#N)ccc4n3)cc2)CC1 ZINC000191857272 1432741111 /nfs/dbraw/zinc/74/11/11/1432741111.db2.gz GVAMXQIUZRLURP-UHFFFAOYSA-N 0 0 385.471 3.387 20 10 GGCDRN CCOc1cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000191857473 1432741137 /nfs/dbraw/zinc/74/11/37/1432741137.db2.gz GYRLIZPYBYFEOF-UHFFFAOYSA-N 0 0 398.463 3.274 20 10 GGCDRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000191869987 1432743726 /nfs/dbraw/zinc/74/37/26/1432743726.db2.gz BIHUDFIIEAIKSN-UHFFFAOYSA-N 0 0 377.466 3.098 20 10 GGCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1ccccc1C ZINC000192088234 1432796611 /nfs/dbraw/zinc/79/66/11/1432796611.db2.gz ZQWGGTZVMSIHKN-INIZCTEOSA-N 0 0 388.533 3.094 20 10 GGCDRN CC1=C(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[C@@H](C)n2ncnc2N1C ZINC000192137547 1432804729 /nfs/dbraw/zinc/80/47/29/1432804729.db2.gz NEARJCAQVYBEOB-QGZVFWFLSA-N 0 0 394.523 3.212 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)[C@@](C)(OC)c3ccccc3F)CC2)cc1 ZINC000192208435 1432816273 /nfs/dbraw/zinc/81/62/73/1432816273.db2.gz GTYFMFSZTSITFI-QFIPXVFZSA-N 0 0 386.467 3.435 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)[C@](C)(OC)c3ccccc3F)CC2)cc1 ZINC000192208431 1432816325 /nfs/dbraw/zinc/81/63/25/1432816325.db2.gz GTYFMFSZTSITFI-JOCHJYFZSA-N 0 0 386.467 3.435 20 10 GGCDRN CCCn1ccnc1CCCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000192365787 1432837486 /nfs/dbraw/zinc/83/74/86/1432837486.db2.gz VVTIKZFCUNJHEJ-UHFFFAOYSA-N 0 0 375.492 3.272 20 10 GGCDRN CCn1ncc2c1ncn(CC(=O)c1cc(C)n(-c3ccccc3C)c1C)c2=O ZINC000192477699 1432849458 /nfs/dbraw/zinc/84/94/58/1432849458.db2.gz VOVOHDTUPNXWBT-UHFFFAOYSA-N 0 0 389.459 3.212 20 10 GGCDRN CCn1ncc2c1ncn(CC(=O)c1cc(C)n(-c3ccc(C)cc3)c1C)c2=O ZINC000192478730 1432849476 /nfs/dbraw/zinc/84/94/76/1432849476.db2.gz QCJFYRMNHSIWAN-UHFFFAOYSA-N 0 0 389.459 3.212 20 10 GGCDRN Cc1ccc([C@@](O)(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C(F)(F)F)o1 ZINC000192496871 1432851360 /nfs/dbraw/zinc/85/13/60/1432851360.db2.gz KJPSSFBHBFDKPA-SFHVURJKSA-N 0 0 384.398 3.453 20 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CN(c1ccc(CNC(=O)NC[C@H](O)C2CCOCC2)cc1)C1CCCCC1 ZINC000265622044 1434251050 /nfs/dbraw/zinc/25/10/50/1434251050.db2.gz QGJYKFPGYVSNBW-NRFANRHFSA-N 0 0 389.540 3.042 20 10 GGCDRN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000265762613 1434263199 /nfs/dbraw/zinc/26/31/99/1434263199.db2.gz MCUSAOLODUEITA-UHFFFAOYSA-N 0 0 398.506 3.043 20 10 GGCDRN COCCOc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)ccc1OC ZINC000265852146 1434272936 /nfs/dbraw/zinc/27/29/36/1434272936.db2.gz ALHNHQFFAMGLQA-UHFFFAOYSA-N 0 0 397.475 3.418 20 10 GGCDRN Cc1c(NC(=O)NCc2ccccc2O)cccc1S(=O)(=O)NC(C)(C)C ZINC000265898265 1434279947 /nfs/dbraw/zinc/27/99/47/1434279947.db2.gz HFWZWIKCMCYMHV-UHFFFAOYSA-N 0 0 391.493 3.099 20 10 GGCDRN COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc([N+](=O)[O-])c1OC ZINC000265925663 1434283836 /nfs/dbraw/zinc/28/38/36/1434283836.db2.gz DJIKCXCKOPRICU-UHFFFAOYSA-N 0 0 385.420 3.142 20 10 GGCDRN CCCCCC(=O)NC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265949352 1434287368 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ZINC000266682958 1434363316 /nfs/dbraw/zinc/36/33/16/1434363316.db2.gz CZGBXWSNGGWKBL-IBGZPJMESA-N 0 0 384.432 3.123 20 10 GGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1O ZINC000266683228 1434363577 /nfs/dbraw/zinc/36/35/77/1434363577.db2.gz RMYJMAVTLDOGAL-ZDUSSCGKSA-N 0 0 383.448 3.310 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccncc3Cl)cc2F)C[C@@H](C)O1 ZINC000266706475 1434365846 /nfs/dbraw/zinc/36/58/46/1434365846.db2.gz PUZNQWVRMQKMJA-CHWSQXEVSA-N 0 0 377.847 3.418 20 10 GGCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3Cl)cc2F)C[C@H](C)O1 ZINC000266706480 1434365952 /nfs/dbraw/zinc/36/59/52/1434365952.db2.gz PUZNQWVRMQKMJA-STQMWFEESA-N 0 0 377.847 3.418 20 10 GGCDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCc3cccc(OC)c3O)ccc2NC1=O ZINC000266731726 1434368879 /nfs/dbraw/zinc/36/88/79/1434368879.db2.gz LXVGYKYBQVAHCP-LRDDRELGSA-N 0 0 399.447 3.071 20 10 GGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)c1O ZINC000266751267 1434371235 /nfs/dbraw/zinc/37/12/35/1434371235.db2.gz FLBHPEGEAAUHGB-NSHDSACASA-N 0 0 378.400 3.118 20 10 GGCDRN Cc1nc(SCC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000266791063 1434375743 /nfs/dbraw/zinc/37/57/43/1434375743.db2.gz FGUOWEVVBSWXOJ-UHFFFAOYSA-N 0 0 385.493 3.093 20 10 GGCDRN COC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000266790561 1434375794 /nfs/dbraw/zinc/37/57/94/1434375794.db2.gz LYHDEYSRYAYSEV-CQSZACIVSA-N 0 0 383.439 3.077 20 10 GGCDRN O=C(NCCc1nccs1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266815196 1434378130 /nfs/dbraw/zinc/37/81/30/1434378130.db2.gz WENKMZMWBPWGCN-ZDUSSCGKSA-N 0 0 396.463 3.255 20 10 GGCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1O ZINC000266813502 1434378243 /nfs/dbraw/zinc/37/82/43/1434378243.db2.gz WQYJAZXZXWVPEW-ZDUSSCGKSA-N 0 0 398.463 3.245 20 10 GGCDRN COc1cccc(CNC(=O)NCCC(=O)Nc2cccc(Cl)c2C)c1O ZINC000266849271 1434381715 /nfs/dbraw/zinc/38/17/15/1434381715.db2.gz QHNXUHQZLYWPJM-UHFFFAOYSA-N 0 0 391.855 3.191 20 10 GGCDRN O=C(N[C@H]1CCc2c1cccc2O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000266856039 1434382291 /nfs/dbraw/zinc/38/22/91/1434382291.db2.gz YDNQFFOCONDEMT-LPHOPBHVSA-N 0 0 382.460 3.476 20 10 GGCDRN O=C(N[C@H]1CCc2c1cccc2O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000266856025 1434382327 /nfs/dbraw/zinc/38/23/27/1434382327.db2.gz YDNQFFOCONDEMT-APWZRJJASA-N 0 0 382.460 3.476 20 10 GGCDRN Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c[nH]1 ZINC000266908839 1434387388 /nfs/dbraw/zinc/38/73/88/1434387388.db2.gz MZVYGFUPXWVOEH-ZDUSSCGKSA-N 0 0 377.391 3.096 20 10 GGCDRN CCOC[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000267068127 1434404601 /nfs/dbraw/zinc/40/46/01/1434404601.db2.gz FUQUHDKFHOHRBA-SOLBZPMBSA-N 0 0 393.503 3.007 20 10 GGCDRN Cc1nc2sccn2c1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000267310334 1434421750 /nfs/dbraw/zinc/42/17/50/1434421750.db2.gz MLCBEMVIGIKLPB-VMPITWQZSA-N 0 0 396.516 3.213 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267327120 1434423317 /nfs/dbraw/zinc/42/33/17/1434423317.db2.gz GWJMJRFWODAVKM-UHFFFAOYSA-N 0 0 375.812 3.015 20 10 GGCDRN COCCCOc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000267469913 1434437342 /nfs/dbraw/zinc/43/73/42/1434437342.db2.gz NXRFSSIYVUTUHD-UHFFFAOYSA-N 0 0 399.491 3.260 20 10 GGCDRN CC(C)(C)OC(=O)NCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267573360 1434446833 /nfs/dbraw/zinc/44/68/33/1434446833.db2.gz OJGOYMSPRUUQHX-UHFFFAOYSA-N 0 0 381.436 3.250 20 10 GGCDRN CC(C)c1nnc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)o1 ZINC000267576568 1434447019 /nfs/dbraw/zinc/44/70/19/1434447019.db2.gz PSTQKUQXPNJWPA-UHFFFAOYSA-N 0 0 376.420 3.474 20 10 GGCDRN CN(C)c1ncc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)n1C ZINC000267587519 1434448145 /nfs/dbraw/zinc/44/81/45/1434448145.db2.gz IJTXBSOELZRHET-UHFFFAOYSA-N 0 0 385.512 3.236 20 10 GGCDRN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000267602835 1434449018 /nfs/dbraw/zinc/44/90/18/1434449018.db2.gz XUGOFHVGDRFFCY-LSDHHAIUSA-N 0 0 378.432 3.314 20 10 GGCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267641541 1434452220 /nfs/dbraw/zinc/45/22/20/1434452220.db2.gz QXCKXHFHRHKVTN-UHFFFAOYSA-N 0 0 379.464 3.254 20 10 GGCDRN CO[C@H](C)c1nc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000267728528 1434459128 /nfs/dbraw/zinc/45/91/28/1434459128.db2.gz LMJLEAIDYQRKIT-GFCCVEGCSA-N 0 0 375.494 3.434 20 10 GGCDRN CO[C@H](C)c1nc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cs1 ZINC000267844657 1434470147 /nfs/dbraw/zinc/47/01/47/1434470147.db2.gz OPKNRKPSAOTVMC-SBJJXXPASA-N 0 0 387.505 3.017 20 10 GGCDRN C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267932550 1434478505 /nfs/dbraw/zinc/47/85/05/1434478505.db2.gz SMRAUSCKALXTSB-XPTJVHRZSA-N 0 0 396.447 3.351 20 10 GGCDRN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000267981355 1434483357 /nfs/dbraw/zinc/48/33/57/1434483357.db2.gz GEWCNCZIEXFVBI-UHFFFAOYSA-N 0 0 393.461 3.177 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cccc(Cn4ccnc4)c3)CC2)cc1F ZINC000268014289 1434487244 /nfs/dbraw/zinc/48/72/44/1434487244.db2.gz VOMYHCCPSMWWOD-UHFFFAOYSA-N 0 0 394.450 3.042 20 10 GGCDRN CC(C)C[C@@H](CCO)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268040006 1434489994 /nfs/dbraw/zinc/48/99/94/1434489994.db2.gz XPMOKJYPHIEOLL-IEBWSBKVSA-N 0 0 378.513 3.128 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sc(C)nc2C)cc1F ZINC000268124010 1434496337 /nfs/dbraw/zinc/49/63/37/1434496337.db2.gz JVWZVTDYMYKCAQ-UHFFFAOYSA-N 0 0 378.473 3.000 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000268400838 1434519351 /nfs/dbraw/zinc/51/93/51/1434519351.db2.gz ZESXHAMMESVYAM-LJQANCHMSA-N 0 0 397.475 3.013 20 10 GGCDRN CCOCCOCc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000268480751 1434526359 /nfs/dbraw/zinc/52/63/59/1434526359.db2.gz MVEXKPSEXDVEIO-UHFFFAOYSA-N 0 0 388.464 3.324 20 10 GGCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnc1Cl ZINC000268488062 1434526933 /nfs/dbraw/zinc/52/69/33/1434526933.db2.gz RMJDWKISJNAXRC-UHFFFAOYSA-N 0 0 386.883 3.239 20 10 GGCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2N(C)C2CCCC2)c1O ZINC000268575203 1434535750 /nfs/dbraw/zinc/53/57/50/1434535750.db2.gz HICAYXBCUXFVKS-UHFFFAOYSA-N 0 0 397.475 3.035 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CCOCC1 ZINC000268604268 1434538859 /nfs/dbraw/zinc/53/88/59/1434538859.db2.gz WZAPYHHPOAAYHX-BZUAXINKSA-N 0 0 393.503 3.054 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C2CC2)cc1 ZINC000268681435 1434546802 /nfs/dbraw/zinc/54/68/02/1434546802.db2.gz FDZKRXLUISLGEQ-UHFFFAOYSA-N 0 0 399.516 3.279 20 10 GGCDRN CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000268729049 1434550648 /nfs/dbraw/zinc/55/06/48/1434550648.db2.gz OUMKGIFRWLGCKV-GEJZQBIKSA-N 0 0 393.447 3.168 20 10 GGCDRN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000268748410 1434552891 /nfs/dbraw/zinc/55/28/91/1434552891.db2.gz VYMFVWZPMVDCFR-CQSZACIVSA-N 0 0 391.493 3.133 20 10 GGCDRN CN(C)c1ccc(CNC(=O)CSc2nnc(Cc3cccs3)o2)cc1 ZINC000268993002 1434579355 /nfs/dbraw/zinc/57/93/55/1434579355.db2.gz PAQHVRVPDNSGJW-UHFFFAOYSA-N 0 0 388.518 3.196 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)C2CC2)cc1 ZINC000269091120 1434590698 /nfs/dbraw/zinc/59/06/98/1434590698.db2.gz HESVFQXOKSEGKY-UTKZUKDTSA-N 0 0 389.565 3.481 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000269171224 1434600892 /nfs/dbraw/zinc/60/08/92/1434600892.db2.gz RQPQNFPIPPRXBG-UHFFFAOYSA-N 0 0 391.489 3.003 20 10 GGCDRN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000269392133 1434637099 /nfs/dbraw/zinc/63/70/99/1434637099.db2.gz AQZUMXYPHDMNMM-HNNXBMFYSA-N 0 0 390.505 3.035 20 10 GGCDRN CSCc1noc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000269472116 1434650704 /nfs/dbraw/zinc/65/07/04/1434650704.db2.gz JCGIOLAHXMSRKB-UHFFFAOYSA-N 0 0 376.526 3.368 20 10 GGCDRN CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269499645 1434654059 /nfs/dbraw/zinc/65/40/59/1434654059.db2.gz UYTLPLDMFJNNBD-UHFFFAOYSA-N 0 0 386.448 3.346 20 10 GGCDRN CCOc1cc(CNc2ccc3c(c2)ncn3C)ccc1O[C@H](C)C(=O)N(C)C ZINC000269506257 1434654828 /nfs/dbraw/zinc/65/48/28/1434654828.db2.gz VXCBXTBHMGGKBE-OAHLLOKOSA-N 0 0 396.491 3.440 20 10 GGCDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)N(C)Cc2ccccc2O)s1 ZINC000269518233 1434655824 /nfs/dbraw/zinc/65/58/24/1434655824.db2.gz JRINSDXAHGISMP-INIZCTEOSA-N 0 0 382.489 3.333 20 10 GGCDRN CCc1ncsc1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000269522576 1434656101 /nfs/dbraw/zinc/65/61/01/1434656101.db2.gz HVBPSLZQMFROSN-UHFFFAOYSA-N 0 0 378.473 3.127 20 10 GGCDRN CC(C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000269791545 1434675959 /nfs/dbraw/zinc/67/59/59/1434675959.db2.gz AGSHEMSYUQGVMI-LJQANCHMSA-N 0 0 399.491 3.465 20 10 GGCDRN Cn1c(=O)oc2c1cccc2NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269881344 1434683877 /nfs/dbraw/zinc/68/38/77/1434683877.db2.gz JHAXHUXQKIUMHI-HNNXBMFYSA-N 0 0 397.431 3.050 20 10 GGCDRN COc1cc(-c2nnc(CN(C)c3ccc4c(c3)OCO4)o2)cc(OC)c1OC ZINC000270117980 1434705090 /nfs/dbraw/zinc/70/50/90/1434705090.db2.gz FHMVMCLKLBPAQB-UHFFFAOYSA-N 0 0 399.403 3.128 20 10 GGCDRN COC(=O)CCSc1cccc(NC(=O)NCc2cccc(OC)c2O)c1 ZINC000270125515 1434705750 /nfs/dbraw/zinc/70/57/50/1434705750.db2.gz ITMMNCPEFVNLOQ-UHFFFAOYSA-N 0 0 390.461 3.378 20 10 GGCDRN COC(=O)CCSc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000270212323 1434713630 /nfs/dbraw/zinc/71/36/30/1434713630.db2.gz NNQISWIHEYPCHH-UHFFFAOYSA-N 0 0 390.461 3.117 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000270315732 1434722528 /nfs/dbraw/zinc/72/25/28/1434722528.db2.gz JOGGDGMZOXGUDL-WHDAMIPWSA-N 0 0 377.485 3.190 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000270315726 1434722554 /nfs/dbraw/zinc/72/25/54/1434722554.db2.gz JOGGDGMZOXGUDL-NRRJATNASA-N 0 0 377.485 3.190 20 10 GGCDRN COc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC000270564635 1434745273 /nfs/dbraw/zinc/74/52/73/1434745273.db2.gz MKCSYWXXZXYEIY-UHFFFAOYSA-N 0 0 393.390 3.455 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cccc([C@H]4CCOC4)c3)CC2)cc1F ZINC000270599359 1434748675 /nfs/dbraw/zinc/74/86/75/1434748675.db2.gz VWKUHNPDQMJZCU-SFHVURJKSA-N 0 0 384.451 3.301 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270679001 1434760743 /nfs/dbraw/zinc/76/07/43/1434760743.db2.gz SFNGUFWAEIWRMI-QUCCMNQESA-N 0 0 389.540 3.258 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270679003 1434760746 /nfs/dbraw/zinc/76/07/46/1434760746.db2.gz SFNGUFWAEIWRMI-UYAOXDASSA-N 0 0 389.540 3.258 20 10 GGCDRN CC(C)(C)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000270682718 1434761543 /nfs/dbraw/zinc/76/15/43/1434761543.db2.gz YXQVQDXQIZPXQW-APWZRJJASA-N 0 0 393.503 3.055 20 10 GGCDRN COCC1(O)CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000270723441 1434766416 /nfs/dbraw/zinc/76/64/16/1434766416.db2.gz CKMZCGBZYUKOGP-UHFFFAOYSA-N 0 0 376.884 3.361 20 10 GGCDRN COCC1(O)CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)CC1 ZINC000270813572 1434777958 /nfs/dbraw/zinc/77/79/58/1434777958.db2.gz YXBFXJCVFFXRIW-UHFFFAOYSA-N 0 0 376.884 3.361 20 10 GGCDRN Cc1cc(C(=O)NCCCc2nnc3n2CCCC3)c(C)n1-c1ccccc1 ZINC000270831019 1434779413 /nfs/dbraw/zinc/77/94/13/1434779413.db2.gz JXAUMHWVZCEBPH-UHFFFAOYSA-N 0 0 377.492 3.385 20 10 GGCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cnn1C1CCOCC1 ZINC000270884405 1434784937 /nfs/dbraw/zinc/78/49/37/1434784937.db2.gz FKWDQENREHVHCA-UHFFFAOYSA-N 0 0 382.508 3.414 20 10 GGCDRN COc1cc([N+](=O)[O-])c(N2CCC(NC(=O)OC(C)(C)C)CC2)cc1OC ZINC000271059565 1434799670 /nfs/dbraw/zinc/79/96/70/1434799670.db2.gz SDMLFKKHGVALQA-UHFFFAOYSA-N 0 0 381.429 3.106 20 10 GGCDRN COc1cc(O)c(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)cc1OC ZINC000271115574 1434802928 /nfs/dbraw/zinc/80/29/28/1434802928.db2.gz WDMMGJPHCJCKOF-ZDUSSCGKSA-N 0 0 379.457 3.158 20 10 GGCDRN CCOC(=O)c1cnc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000271145560 1434804557 /nfs/dbraw/zinc/80/45/57/1434804557.db2.gz TVOIFEAMGBAZET-GOSISDBHSA-N 0 0 398.459 3.094 20 10 GGCDRN CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(OC)c1O ZINC000271176598 1434806313 /nfs/dbraw/zinc/80/63/13/1434806313.db2.gz JLWXJSGJIGLYIP-UHFFFAOYSA-N 0 0 382.382 3.168 20 10 GGCDRN Cc1ccc([C@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)c1 ZINC000271174306 1434806377 /nfs/dbraw/zinc/80/63/77/1434806377.db2.gz ARVAMLRRGPNUSB-AWEZNQCLSA-N 0 0 376.478 3.214 20 10 GGCDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000271248345 1434810695 /nfs/dbraw/zinc/81/06/95/1434810695.db2.gz GTEHRIDZUJGGTG-INIZCTEOSA-N 0 0 397.475 3.389 20 10 GGCDRN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC000271248347 1434810768 /nfs/dbraw/zinc/81/07/68/1434810768.db2.gz GTEHRIDZUJGGTG-MRXNPFEDSA-N 0 0 397.475 3.389 20 10 GGCDRN Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000271292439 1434813632 /nfs/dbraw/zinc/81/36/32/1434813632.db2.gz QPABYSJTAKXJEV-UONOGXRCSA-N 0 0 378.469 3.172 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc2c(c1)N=S=N2 ZINC000271307741 1434814790 /nfs/dbraw/zinc/81/47/90/1434814790.db2.gz USOWHSIYTSZINH-UHFFFAOYSA-N 0 0 386.452 3.443 20 10 GGCDRN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000271317962 1434815557 /nfs/dbraw/zinc/81/55/57/1434815557.db2.gz UDIKSDHKTIQLQD-QLFBSQMISA-N 0 0 383.439 3.124 20 10 GGCDRN CC(C)[C@@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000271384408 1434820646 /nfs/dbraw/zinc/82/06/46/1434820646.db2.gz BLOSGIYPYRAHAV-HBFSDRIKSA-N 0 0 376.497 3.286 20 10 GGCDRN C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420055 1434823255 /nfs/dbraw/zinc/82/32/55/1434823255.db2.gz BPLSTSPGIPYZQW-FZKQIMNGSA-N 0 0 380.410 3.325 20 10 GGCDRN COCCCOCCN(C)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000271523216 1434831734 /nfs/dbraw/zinc/83/17/34/1434831734.db2.gz QLVKRYRUQPSISI-UHFFFAOYSA-N 0 0 376.497 3.030 20 10 GGCDRN Cc1csc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)c(=O)n12 ZINC000271856111 1434855062 /nfs/dbraw/zinc/85/50/62/1434855062.db2.gz IAAVWAIVDZFLJT-UHFFFAOYSA-N 0 0 384.505 3.181 20 10 GGCDRN CC(C)(C)Sc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000271889027 1434857344 /nfs/dbraw/zinc/85/73/44/1434857344.db2.gz VITXDQXIETWOOW-UHFFFAOYSA-N 0 0 388.489 3.286 20 10 GGCDRN CC(C)C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000271999183 1434864828 /nfs/dbraw/zinc/86/48/28/1434864828.db2.gz CXGKYUOEGKHNJC-ZWKOTPCHSA-N 0 0 393.503 3.055 20 10 GGCDRN C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000272011215 1434865652 /nfs/dbraw/zinc/86/56/52/1434865652.db2.gz MZDWCWZJFXUEBW-OAHLLOKOSA-N 0 0 384.455 3.365 20 10 GGCDRN CC(C)C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000272025526 1434866916 /nfs/dbraw/zinc/86/69/16/1434866916.db2.gz YNBWMZJRTGSOMT-CTNGQTDRSA-N 0 0 389.540 3.258 20 10 GGCDRN O=C1[C@H]2CCCCN2C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272066836 1434869828 /nfs/dbraw/zinc/86/98/28/1434869828.db2.gz CZEUQQUAMATLLF-GDBMZVCRSA-N 0 0 379.407 3.074 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000272268780 1434882811 /nfs/dbraw/zinc/88/28/11/1434882811.db2.gz RMZSERBLTOJAJP-UHFFFAOYSA-N 0 0 392.839 3.009 20 10 GGCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 ZINC000272305699 1434886039 /nfs/dbraw/zinc/88/60/39/1434886039.db2.gz JUMSGVOMKQKYTL-MRXNPFEDSA-N 0 0 386.448 3.370 20 10 GGCDRN C[C@H](Nc1cnn(CC(=O)NC2CC2)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000272327447 1434887493 /nfs/dbraw/zinc/88/74/93/1434887493.db2.gz CPDNBAUQLJYCSU-HNNXBMFYSA-N 0 0 385.487 3.464 20 10 GGCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272391724 1434893150 /nfs/dbraw/zinc/89/31/50/1434893150.db2.gz GXCGBDCBMGGDTO-DYIUODAASA-N 0 0 390.480 3.263 20 10 GGCDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272391727 1434893171 /nfs/dbraw/zinc/89/31/71/1434893171.db2.gz GXCGBDCBMGGDTO-YBZQBRCDSA-N 0 0 390.480 3.263 20 10 GGCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272391725 1434893213 /nfs/dbraw/zinc/89/32/13/1434893213.db2.gz GXCGBDCBMGGDTO-IXFUNQINSA-N 0 0 390.480 3.263 20 10 GGCDRN CCn1c(SCC(=O)NCc2ccc(O)c(O)c2)nnc1-c1cccc(C)c1 ZINC000272398209 1434893774 /nfs/dbraw/zinc/89/37/74/1434893774.db2.gz YNKJKNFCHSVSPR-UHFFFAOYSA-N 0 0 398.488 3.093 20 10 GGCDRN CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000272428402 1434895442 /nfs/dbraw/zinc/89/54/42/1434895442.db2.gz JDNXQOOLBNPMHN-CIRFHOKZSA-N 0 0 378.488 3.261 20 10 GGCDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000272452692 1434897328 /nfs/dbraw/zinc/89/73/28/1434897328.db2.gz QSRYNBBYVNASBN-RDJZCZTQSA-N 0 0 390.528 3.197 20 10 GGCDRN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272458574 1434897702 /nfs/dbraw/zinc/89/77/02/1434897702.db2.gz ODRKZBGIPYKORB-CKDFRHGISA-N 0 0 383.444 3.327 20 10 GGCDRN CN(C)c1ccc(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000272528975 1434904543 /nfs/dbraw/zinc/90/45/43/1434904543.db2.gz MQYSYSAMCPJJFA-LJQANCHMSA-N 0 0 383.427 3.413 20 10 GGCDRN COc1cc(CN(C)C(=O)c2ccc(C)c(O)c2O)c(SC)cc1OC ZINC000272553798 1434907260 /nfs/dbraw/zinc/90/72/60/1434907260.db2.gz BGYZIVOZGUFLIB-UHFFFAOYSA-N 0 0 377.462 3.418 20 10 GGCDRN COc1cccc(OC)c1OC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272559247 1434907544 /nfs/dbraw/zinc/90/75/44/1434907544.db2.gz ZTHLCYRDFNRXEW-VQHVLOKHSA-N 0 0 399.443 3.198 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC[C@H](COc2ccccc2)C1 ZINC000272571583 1434909156 /nfs/dbraw/zinc/90/91/56/1434909156.db2.gz ONYNEPNPDZEJSE-FQEVSTJZSA-N 0 0 395.503 3.134 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000272774038 1434930115 /nfs/dbraw/zinc/93/01/15/1434930115.db2.gz COPULGNORDRZMZ-UHFFFAOYSA-N 0 0 382.420 3.140 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000272833328 1434934714 /nfs/dbraw/zinc/93/47/14/1434934714.db2.gz NDPXCGLZSRUMGW-UHFFFAOYSA-N 0 0 396.447 3.136 20 10 GGCDRN COCC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccco1 ZINC000272856252 1434936295 /nfs/dbraw/zinc/93/62/95/1434936295.db2.gz UDPZHXMJVCHXFA-ROUUACIJSA-N 0 0 388.464 3.454 20 10 GGCDRN CCC[C@H]1C[C@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000272992985 1434947799 /nfs/dbraw/zinc/94/77/99/1434947799.db2.gz NHPGVWMZIXROLE-CJNGLKHVSA-N 0 0 383.872 3.143 20 10 GGCDRN CC[C@@H]1C[C@H](CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000273102327 1434961434 /nfs/dbraw/zinc/96/14/34/1434961434.db2.gz MFUGBAFYZYOAFN-CZUORRHYSA-N 0 0 383.872 3.143 20 10 GGCDRN CSc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000273138867 1434965713 /nfs/dbraw/zinc/96/57/13/1434965713.db2.gz WYSNPDJAYRJLJL-UHFFFAOYSA-N 0 0 386.521 3.334 20 10 GGCDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000273144464 1434966117 /nfs/dbraw/zinc/96/61/17/1434966117.db2.gz GACAAFOBEATOBC-NWDGAFQWSA-N 0 0 376.434 3.234 20 10 GGCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCO[C@@H](C(C)C)C3)CC2)cc1F ZINC000273191185 1434971019 /nfs/dbraw/zinc/97/10/19/1434971019.db2.gz MXOWSIDGAGKWGK-OXQOHEQNSA-N 0 0 378.488 3.324 20 10 GGCDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000273205644 1434972489 /nfs/dbraw/zinc/97/24/89/1434972489.db2.gz SDFJHPZPLMMXNV-OLZOCXBDSA-N 0 0 389.473 3.112 20 10 GGCDRN C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298359 1434979117 /nfs/dbraw/zinc/97/91/17/1434979117.db2.gz AQGYUPMTINPEAI-BBRMVZONSA-N 0 0 377.466 3.086 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273364884 1434983404 /nfs/dbraw/zinc/98/34/04/1434983404.db2.gz DXFXWHMGYHFNLV-UONOGXRCSA-N 0 0 399.447 3.370 20 10 GGCDRN C[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387123 1434985292 /nfs/dbraw/zinc/98/52/92/1434985292.db2.gz JVDCPPVZALKVHL-ORAYPTAESA-N 0 0 385.420 3.269 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273387125 1434985361 /nfs/dbraw/zinc/98/53/61/1434985361.db2.gz JVDCPPVZALKVHL-YJYMSZOUSA-N 0 0 385.420 3.269 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273405788 1434986644 /nfs/dbraw/zinc/98/66/44/1434986644.db2.gz OGWHIUZWQQDWHV-HZPDHXFCSA-N 0 0 385.464 3.372 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000273411867 1434986999 /nfs/dbraw/zinc/98/69/99/1434986999.db2.gz PVSYMGSHLWVORK-XOBRGWDASA-N 0 0 398.459 3.147 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273424187 1434988069 /nfs/dbraw/zinc/98/80/69/1434988069.db2.gz SZSFFEFAGKNMML-GFCCVEGCSA-N 0 0 375.421 3.055 20 10 GGCDRN C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433981 1434988438 /nfs/dbraw/zinc/98/84/38/1434988438.db2.gz WORKFLZJIAQHGB-HNNXBMFYSA-N 0 0 398.463 3.054 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(OC)c(OC)cc2OC)c1 ZINC000273442938 1434989071 /nfs/dbraw/zinc/98/90/71/1434989071.db2.gz ZCZXCTCBUZTZPR-GFCCVEGCSA-N 0 0 375.421 3.055 20 10 GGCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(OCC(=O)NC3CC3)c2)c1 ZINC000273447825 1434989386 /nfs/dbraw/zinc/98/93/86/1434989386.db2.gz FMSRNVHFQRVSHU-ZDUSSCGKSA-N 0 0 386.448 3.240 20 10 GGCDRN COc1cc(N2CCN(c3nnc(C(C)(C)C)s3)CC2)cc(OC)c1OC ZINC000273496871 1434992346 /nfs/dbraw/zinc/99/23/46/1434992346.db2.gz NOQALJXDLBTHIX-UHFFFAOYSA-N 0 0 392.525 3.188 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273525105 1434994500 /nfs/dbraw/zinc/99/45/00/1434994500.db2.gz ZJSFDJMXNHNNQF-UHFFFAOYSA-N 0 0 392.362 3.031 20 10 GGCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273562315 1434996895 /nfs/dbraw/zinc/99/68/95/1434996895.db2.gz ILMKVEKBEATXPJ-CYBMUJFWSA-N 0 0 375.400 3.127 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000273618366 1435000007 /nfs/dbraw/zinc/00/00/07/1435000007.db2.gz YGYARGMOAMAYJP-INIZCTEOSA-N 0 0 396.487 3.443 20 10 GGCDRN COc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC(C)C ZINC000273723744 1435008129 /nfs/dbraw/zinc/00/81/29/1435008129.db2.gz OPCYLEYNPFQXFD-UHFFFAOYSA-N 0 0 399.491 3.146 20 10 GGCDRN CN(C)c1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1F ZINC000274258090 1435055332 /nfs/dbraw/zinc/05/53/32/1435055332.db2.gz BBJPRWGURCDVLO-UHFFFAOYSA-N 0 0 397.450 3.056 20 10 GGCDRN Cc1cc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)ccc1O ZINC000274312175 1435060465 /nfs/dbraw/zinc/06/04/65/1435060465.db2.gz GBDMGTVVNJWSPD-ZDUSSCGKSA-N 0 0 381.425 3.056 20 10 GGCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274312220 1435060471 /nfs/dbraw/zinc/06/04/71/1435060471.db2.gz GFCYNDCSYYAHJY-CYBMUJFWSA-N 0 0 381.425 3.056 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000274362681 1435065139 /nfs/dbraw/zinc/06/51/39/1435065139.db2.gz UHZODQZZJDIWCH-IAGOWNOFSA-N 0 0 390.405 3.360 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000274362685 1435065391 /nfs/dbraw/zinc/06/53/91/1435065391.db2.gz UHZODQZZJDIWCH-SJORKVTESA-N 0 0 390.405 3.360 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCC(=O)c3ccccn3)cc2F)C[C@H](C)O1 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380.872 3.404 20 10 GGCDRN CCC1(CC)[C@@H](OC)C[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277785603 1435330083 /nfs/dbraw/zinc/33/00/83/1435330083.db2.gz XVWQDYMBTQKOTC-HOTGVXAUSA-N 0 0 380.872 3.404 20 10 GGCDRN CCC1(CC)[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[C@@H]1OC ZINC000277785597 1435330143 /nfs/dbraw/zinc/33/01/43/1435330143.db2.gz XVWQDYMBTQKOTC-CVEARBPZSA-N 0 0 380.872 3.404 20 10 GGCDRN Cc1noc(C)c1[C@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277825567 1435334040 /nfs/dbraw/zinc/33/40/40/1435334040.db2.gz CBNDVLKAPOUJQA-SNVBAGLBSA-N 0 0 377.828 3.218 20 10 GGCDRN Cc1nn(C)c(Cl)c1Cc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000277930230 1435343291 /nfs/dbraw/zinc/34/32/91/1435343291.db2.gz DJTXUPZTQSACIA-VMPITWQZSA-N 0 0 399.882 3.363 20 10 GGCDRN COCc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)ccc1F ZINC000278081037 1435357067 /nfs/dbraw/zinc/35/70/67/1435357067.db2.gz YAXJMBTVZOMJKD-UHFFFAOYSA-N 0 0 392.814 3.296 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)ccc1[N+](=O)[O-] ZINC000278102649 1435359526 /nfs/dbraw/zinc/35/95/26/1435359526.db2.gz ADYBXKAKPRVFJS-UHFFFAOYSA-N 0 0 382.420 3.213 20 10 GGCDRN CCOc1cc2c(cc1NCc1ccc([N+](=O)[O-])c(OC)c1O)OCCO2 ZINC000278128284 1435362465 /nfs/dbraw/zinc/36/24/65/1435362465.db2.gz BWNBCLGVDYROPB-UHFFFAOYSA-N 0 0 376.365 3.091 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Cc3noc(-c4cscc4C)n3)CC2)cc1 ZINC000278141007 1435363544 /nfs/dbraw/zinc/36/35/44/1435363544.db2.gz SZBBHDRJMQJIKK-UHFFFAOYSA-N 0 0 398.488 3.006 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000278179803 1435367016 /nfs/dbraw/zinc/36/70/16/1435367016.db2.gz UBFQOPCUHBSMST-ZTFGCOKTSA-N 0 0 390.867 3.158 20 10 GGCDRN COc1c([O-])c(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278242836 1435373026 /nfs/dbraw/zinc/37/30/26/1435373026.db2.gz OEMRODNTHHHBPU-UHFFFAOYSA-N 0 0 399.447 3.046 20 10 GGCDRN COc1c([O-])c(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278274743 1435375338 /nfs/dbraw/zinc/37/53/38/1435375338.db2.gz RZCIIRQLFXMCHG-UHFFFAOYSA-N 0 0 395.456 3.140 20 10 GGCDRN O=C(c1cc2ccccc2c(=O)o1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278280176 1435376138 /nfs/dbraw/zinc/37/61/38/1435376138.db2.gz GCURGMNZZNOZTD-KRWDZBQOSA-N 0 0 379.412 3.320 20 10 GGCDRN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000278327171 1435380309 /nfs/dbraw/zinc/38/03/09/1435380309.db2.gz UPNXQMAYUAYENJ-GOEBONIOSA-N 0 0 377.485 3.322 20 10 GGCDRN C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000278409151 1435388391 /nfs/dbraw/zinc/38/83/91/1435388391.db2.gz RONHPJNBRHSXEM-AQGQNPDFSA-N 0 0 376.453 3.015 20 10 GGCDRN c1nn(Cc2nnc3n2CCCC3)cc1NCc1ccc(N2CCCCC2)cc1 ZINC000278461907 1435392770 /nfs/dbraw/zinc/39/27/70/1435392770.db2.gz FFXPGFWRPCDUEF-UHFFFAOYSA-N 0 0 391.523 3.462 20 10 GGCDRN CCN(CC)C(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278493218 1435394842 /nfs/dbraw/zinc/39/48/42/1435394842.db2.gz LSVXPKMDMSHTFX-UHFFFAOYSA-N 0 0 387.436 3.081 20 10 GGCDRN CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](O)c1c(F)cccc1F ZINC000278493277 1435395137 /nfs/dbraw/zinc/39/51/37/1435395137.db2.gz LXCWFBXICIWEKI-DYVFJYSZSA-N 0 0 382.363 3.189 20 10 GGCDRN COc1c([O-])c(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000278518539 1435396608 /nfs/dbraw/zinc/39/66/08/1435396608.db2.gz RGGPGKZCAPLBLE-AWEZNQCLSA-N 0 0 386.452 3.019 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278528100 1435397354 /nfs/dbraw/zinc/39/73/54/1435397354.db2.gz UHYUGUYIKFVOQX-RDJZCZTQSA-N 0 0 376.384 3.458 20 10 GGCDRN CCOc1ccc(C(=O)N(C)C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278609003 1435405219 /nfs/dbraw/zinc/40/52/19/1435405219.db2.gz DPJCTHTWJWNYFX-UHFFFAOYSA-N 0 0 389.408 3.022 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000278617590 1435406458 /nfs/dbraw/zinc/40/64/58/1435406458.db2.gz HBGYCDRDSQFMRJ-LJQANCHMSA-N 0 0 398.555 3.075 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000278766530 1435421475 /nfs/dbraw/zinc/42/14/75/1435421475.db2.gz PABVNIZFYWYNIF-UHFFFAOYSA-N 0 0 393.495 3.386 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc(C2CCC2)cs1 ZINC000278800678 1435425041 /nfs/dbraw/zinc/42/50/41/1435425041.db2.gz FVONPTXWBAEHTR-UHFFFAOYSA-N 0 0 384.505 3.266 20 10 GGCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278833773 1435428681 /nfs/dbraw/zinc/42/86/81/1435428681.db2.gz JCASSCRUJMHFRS-ZDUSSCGKSA-N 0 0 375.400 3.064 20 10 GGCDRN O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000278847503 1435430731 /nfs/dbraw/zinc/43/07/31/1435430731.db2.gz TYULBQNBEHXQRK-CQSZACIVSA-N 0 0 385.313 3.469 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855035 1435431563 /nfs/dbraw/zinc/43/15/63/1435431563.db2.gz LLCIJYVAWMIKAL-DZGCQCFKSA-N 0 0 378.450 3.459 20 10 GGCDRN O=C(Cc1cccc(N2CCCC2=O)c1)NCc1ccc(N2CCCC2)cc1 ZINC000278892976 1435436620 /nfs/dbraw/zinc/43/66/20/1435436620.db2.gz XPJNPWWIHZLVKS-UHFFFAOYSA-N 0 0 377.488 3.273 20 10 GGCDRN COc1c([O-])c(C[NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000278904197 1435437954 /nfs/dbraw/zinc/43/79/54/1435437954.db2.gz ROJDBPTWHYLOHZ-ZDUSSCGKSA-N 0 0 395.456 3.046 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278941442 1435442859 /nfs/dbraw/zinc/44/28/59/1435442859.db2.gz XUULKZADODJIPK-UHFFFAOYSA-N 0 0 380.784 3.023 20 10 GGCDRN Cc1ccc(CNC(=O)N(Cc2ccccc2O)C2CCCCC2)c(=O)n1C ZINC000278971905 1435447036 /nfs/dbraw/zinc/44/70/36/1435447036.db2.gz HPZYOKSCUKXFOJ-UHFFFAOYSA-N 0 0 383.492 3.444 20 10 GGCDRN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000279019664 1435452680 /nfs/dbraw/zinc/45/26/80/1435452680.db2.gz VQXZDELJDGTQNU-LLVKDONJSA-N 0 0 386.443 3.195 20 10 GGCDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000279075934 1435457987 /nfs/dbraw/zinc/45/79/87/1435457987.db2.gz NFWSZFAPWYVBQP-UHFFFAOYSA-N 0 0 382.420 3.027 20 10 GGCDRN CN(Cc1ncnn1CC(F)F)Cc1ccc(OCc2ccccc2)cc1O ZINC000279089317 1435459255 /nfs/dbraw/zinc/45/92/55/1435459255.db2.gz SWFKZHJQTSHTKT-UHFFFAOYSA-N 0 0 388.418 3.460 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccnn2CC(F)F)cc1 ZINC000279292897 1435482788 /nfs/dbraw/zinc/48/27/88/1435482788.db2.gz UQJCJHOFKPUWLF-KRWDZBQOSA-N 0 0 392.450 3.036 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@H]([C@H]1CCCOC1)C(F)(F)F ZINC000279321757 1435486332 /nfs/dbraw/zinc/48/63/32/1435486332.db2.gz ZZQHCYWORRABMD-MZKHAQQWSA-N 0 0 399.409 3.437 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@@H]([C@H]1CCCOC1)C(F)(F)F ZINC000279321921 1435486359 /nfs/dbraw/zinc/48/63/59/1435486359.db2.gz ZZQHCYWORRABMD-OAWFPAICSA-N 0 0 399.409 3.437 20 10 GGCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000279340088 1435488403 /nfs/dbraw/zinc/48/84/03/1435488403.db2.gz DVNZWZAGQXMMLQ-UHFFFAOYSA-N 0 0 388.899 3.485 20 10 GGCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000279485355 1435504309 /nfs/dbraw/zinc/50/43/09/1435504309.db2.gz MXSWNHSINMKVCE-UHFFFAOYSA-N 0 0 381.517 3.089 20 10 GGCDRN COC[C@@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCO1 ZINC000279566150 1435513733 /nfs/dbraw/zinc/51/37/33/1435513733.db2.gz VPFNNRDZTCGAOP-QYENAUNRSA-N 0 0 396.447 3.351 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(C)=O)nc2)cc1F ZINC000279615142 1435519367 /nfs/dbraw/zinc/51/93/67/1435519367.db2.gz XKUXKHRRDYRZNQ-UHFFFAOYSA-N 0 0 387.459 3.025 20 10 GGCDRN CC(=O)N1CCC[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000279623352 1435520231 /nfs/dbraw/zinc/52/02/31/1435520231.db2.gz AYVTVKGQZBMMCZ-FQEVSTJZSA-N 0 0 386.540 3.077 20 10 GGCDRN CCOc1ccc(-n2c(C)cc(C(=O)COc3coc(CO)cc3=O)c2C)cc1 ZINC000279813688 1435546565 /nfs/dbraw/zinc/54/65/65/1435546565.db2.gz BMYGOVLYCBYVAB-UHFFFAOYSA-N 0 0 397.427 3.200 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc2sc(N3CCCC3)nc2s1 ZINC000279832271 1435548501 /nfs/dbraw/zinc/54/85/01/1435548501.db2.gz IZMAUEOXKXWMGJ-UHFFFAOYSA-N 0 0 389.502 3.342 20 10 GGCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279844171 1435550220 /nfs/dbraw/zinc/55/02/20/1435550220.db2.gz DRMBMWACKCTTQN-QGZVFWFLSA-N 0 0 383.496 3.236 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc1 ZINC000279910680 1435561803 /nfs/dbraw/zinc/56/18/03/1435561803.db2.gz HRVTUIHWEAJQKW-QGZVFWFLSA-N 0 0 375.513 3.012 20 10 GGCDRN O=S1(=O)CC[C@H](CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C1 ZINC000280044403 1435582324 /nfs/dbraw/zinc/58/23/24/1435582324.db2.gz OHVCNRJRHUFFKK-ZLHKHBAESA-N 0 0 399.512 3.412 20 10 GGCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000280046487 1435582566 /nfs/dbraw/zinc/58/25/66/1435582566.db2.gz XDADNEZAXHMNQF-AIANPOQGSA-N 0 0 376.472 3.061 20 10 GGCDRN CC(=O)Nc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000280049944 1435583366 /nfs/dbraw/zinc/58/33/66/1435583366.db2.gz OWMBVUCOVCENTQ-UHFFFAOYSA-N 0 0 383.496 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GGCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc(OCC)c2O)cc1 ZINC000280789675 1435720987 /nfs/dbraw/zinc/72/09/87/1435720987.db2.gz QTRCKCMSBAWBCM-AWEZNQCLSA-N 0 0 386.448 3.084 20 10 GGCDRN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000280842327 1435729725 /nfs/dbraw/zinc/72/97/25/1435729725.db2.gz ZADRWDNZPGRSJG-PWKIUMOWSA-N 0 0 393.447 3.025 20 10 GGCDRN COC(=O)[C@H]1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000281045573 1435763245 /nfs/dbraw/zinc/76/32/45/1435763245.db2.gz WEASQGIWYJSKLE-SHTZXODSSA-N 0 0 378.432 3.314 20 10 GGCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cc1OCCO ZINC000281181851 1435791410 /nfs/dbraw/zinc/79/14/10/1435791410.db2.gz JNDVPMCJQXALRE-UHFFFAOYSA-N 0 0 386.492 3.183 20 10 GGCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)NC(C)C ZINC000281234607 1435800076 /nfs/dbraw/zinc/80/00/76/1435800076.db2.gz DCHXVOBPLUOGJY-CQSZACIVSA-N 0 0 385.464 3.297 20 10 GGCDRN Cc1c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cccc1N1CCOC1=O ZINC000281329956 1435804097 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Cc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C2CC2)n1 ZINC000281813293 1435822907 /nfs/dbraw/zinc/82/29/07/1435822907.db2.gz JLDHAJFHHZROLN-KBPBESRZSA-N 0 0 398.482 3.345 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1nncn1C ZINC000281839390 1435823762 /nfs/dbraw/zinc/82/37/62/1435823762.db2.gz HVYMIMIKDZNYFR-KGLIPLIRSA-N 0 0 390.919 3.265 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)NCc2ncnn2C(C)(C)C)cc1F ZINC000281839241 1435823766 /nfs/dbraw/zinc/82/37/66/1435823766.db2.gz HVAMTRVAMACQTH-UHFFFAOYSA-N 0 0 376.480 3.018 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000281913599 1435826517 /nfs/dbraw/zinc/82/65/17/1435826517.db2.gz GRTGDKQPWGRGDV-JCLNCFHCSA-N 0 0 384.520 3.079 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@H]1CCC(F)(F)C1 ZINC000281948325 1435828161 /nfs/dbraw/zinc/82/81/61/1435828161.db2.gz JLJDVCWIZTXTRZ-AWEZNQCLSA-N 0 0 385.430 3.021 20 10 GGCDRN C[S@@](=O)C1(CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000282099154 1435834488 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CCCCN(Cc1ccccc1O)C(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000282498536 1435849323 /nfs/dbraw/zinc/84/93/23/1435849323.db2.gz NGIVEFUECKRXSB-OAHLLOKOSA-N 0 0 375.494 3.382 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000282607264 1435853570 /nfs/dbraw/zinc/85/35/70/1435853570.db2.gz YPYVBBJXLGKQRR-IBGZPJMESA-N 0 0 394.471 3.040 20 10 GGCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCCC34CCOCC4)CC2)cc1F ZINC000282630186 1435854336 /nfs/dbraw/zinc/85/43/36/1435854336.db2.gz CAMMVJCAOHHPPN-LJQANCHMSA-N 0 0 391.487 3.015 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2Cl)C1 ZINC000282646482 1435855044 /nfs/dbraw/zinc/85/50/44/1435855044.db2.gz LULGVUWPXVIFQS-ZBFHGGJFSA-N 0 0 398.956 3.017 20 10 GGCDRN CCCOc1ccc(CNc2ccc(OC)c(NS(C)(=O)=O)c2)c(O)c1 ZINC000282709856 1435857414 /nfs/dbraw/zinc/85/74/14/1435857414.db2.gz BAXZRPPTOXWSHK-UHFFFAOYSA-N 0 0 380.466 3.173 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000282746773 1435858801 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O=C(N[C@@H]1CCCC12CCOCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283226353 1435880148 /nfs/dbraw/zinc/88/01/48/1435880148.db2.gz RIRFNURGUWKJEB-AZUAARDMSA-N 0 0 388.508 3.432 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000283337289 1435884975 /nfs/dbraw/zinc/88/49/75/1435884975.db2.gz GQSWMULFMHLCTL-ZDUSSCGKSA-N 0 0 376.403 3.286 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000283377745 1435886854 /nfs/dbraw/zinc/88/68/54/1435886854.db2.gz OMODBRIRHCJKPO-XLIONFOSSA-N 0 0 385.464 3.335 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CSc3nncn3C)cc2Cl)C1 ZINC000283401074 1435888068 /nfs/dbraw/zinc/88/80/68/1435888068.db2.gz VEERXAHRKVHJDS-CYBMUJFWSA-N 0 0 393.944 3.113 20 10 GGCDRN CC(C)Oc1ccccc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283412142 1435888738 /nfs/dbraw/zinc/88/87/38/1435888738.db2.gz ABZXXAUJOLBNNS-UHFFFAOYSA-N 0 0 395.503 3.007 20 10 GGCDRN COc1cc(N2CCN(C(=O)[C@H]3CCCC(F)(F)C3)CC2)cc(OC)c1OC ZINC000283419787 1435889053 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CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc2ccccc2s1 ZINC000283629212 1435898667 /nfs/dbraw/zinc/89/86/67/1435898667.db2.gz XXICXGRGEDPGSK-UHFFFAOYSA-N 0 0 397.500 3.447 20 10 GGCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)c1ncn(C)n1 ZINC000283647559 1435899236 /nfs/dbraw/zinc/89/92/36/1435899236.db2.gz WQMQWELTRDLXKD-UONOGXRCSA-N 0 0 390.919 3.265 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)c1ncn(C)n1 ZINC000283647555 1435899272 /nfs/dbraw/zinc/89/92/72/1435899272.db2.gz WQMQWELTRDLXKD-KGLIPLIRSA-N 0 0 390.919 3.265 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000283712126 1435909181 /nfs/dbraw/zinc/90/91/81/1435909181.db2.gz YTZPIHWQRXTFIL-UHFFFAOYSA-N 0 0 380.452 3.417 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000283724488 1435910924 /nfs/dbraw/zinc/91/09/24/1435910924.db2.gz XUYSVPQUTYHCRH-UHFFFAOYSA-N 0 0 397.475 3.426 20 10 GGCDRN CCn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N1CCC(C(N)=O)CC1 ZINC000283823101 1435930737 /nfs/dbraw/zinc/93/07/37/1435930737.db2.gz ZTSBEDLXJXRDCV-UHFFFAOYSA-N 0 0 392.507 3.074 20 10 GGCDRN C[C@H](NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1)c1ccccn1 ZINC000283846333 1435935558 /nfs/dbraw/zinc/93/55/58/1435935558.db2.gz BJQGHDMIIWSESV-INIZCTEOSA-N 0 0 381.476 3.326 20 10 GGCDRN Cc1cccnc1[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C)C ZINC000283884301 1435943905 /nfs/dbraw/zinc/94/39/05/1435943905.db2.gz FPUSGLHLDUBZDV-FQEVSTJZSA-N 0 0 394.519 3.120 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2nc(C(C)C)cs2)cc1 ZINC000283951725 1435959448 /nfs/dbraw/zinc/95/94/48/1435959448.db2.gz IAOLRJPUXQIXOK-UHFFFAOYSA-N 0 0 388.537 3.045 20 10 GGCDRN Cc1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)cn1 ZINC000284045950 1435979812 /nfs/dbraw/zinc/97/98/12/1435979812.db2.gz LBRNUMGNGNOABX-UHFFFAOYSA-N 0 0 381.476 3.073 20 10 GGCDRN COc1cccc([C@@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000284126998 1435995534 /nfs/dbraw/zinc/99/55/34/1435995534.db2.gz NSMKVZIMMQMAEO-MRXNPFEDSA-N 0 0 395.503 3.130 20 10 GGCDRN COCc1ncsc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000284194556 1436003114 /nfs/dbraw/zinc/00/31/14/1436003114.db2.gz BVVULLKIMHASNZ-LBPRGKRZSA-N 0 0 397.447 3.290 20 10 GGCDRN Cc1cc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)s1 ZINC000284204092 1436003824 /nfs/dbraw/zinc/00/38/24/1436003824.db2.gz YXBJKDABCHDHFU-HNNXBMFYSA-N 0 0 383.517 3.235 20 10 GGCDRN COc1ccc([C@H](C)NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000284223772 1436005306 /nfs/dbraw/zinc/00/53/06/1436005306.db2.gz STURJMLYIGVHKK-INIZCTEOSA-N 0 0 395.503 3.130 20 10 GGCDRN CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000284263122 1436008125 /nfs/dbraw/zinc/00/81/25/1436008125.db2.gz GNNPCNSTEFQMGT-UONOGXRCSA-N 0 0 391.489 3.384 20 10 GGCDRN CSc1ccccc1CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284284342 1436009838 /nfs/dbraw/zinc/00/98/38/1436009838.db2.gz TZWSZTFEWZZGCJ-UHFFFAOYSA-N 0 0 397.544 3.284 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCCc3occc32)C2CC2)cc1 ZINC000284313767 1436012366 /nfs/dbraw/zinc/01/23/66/1436012366.db2.gz ZLKKBRSQJKOHGG-IBGZPJMESA-N 0 0 381.476 3.030 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000284431890 1436021389 /nfs/dbraw/zinc/02/13/89/1436021389.db2.gz VZSOUFHUHAHKJE-LJQANCHMSA-N 0 0 386.517 3.110 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc2ncccc2c1 ZINC000284441994 1436022313 /nfs/dbraw/zinc/02/23/13/1436022313.db2.gz PJSWIKCUFIBJDC-UHFFFAOYSA-N 0 0 391.471 3.386 20 10 GGCDRN COC1(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CCOCC1 ZINC000284597443 1436033019 /nfs/dbraw/zinc/03/30/19/1436033019.db2.gz HJOLVXDTIWAAHC-HNNXBMFYSA-N 0 0 380.916 3.388 20 10 GGCDRN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820413231 1441673278 /nfs/dbraw/zinc/67/32/78/1441673278.db2.gz PGSXJNTUBXVXTQ-GJZGRUSLSA-N 0 0 396.470 3.254 20 10 GGCDRN Oc1cc2c(cc1C[NH+]1CCC(Oc3cccc(-c4nnn[n-]4)c3)CC1)CCC2 ZINC000738397060 1441819428 /nfs/dbraw/zinc/81/94/28/1441819428.db2.gz MWCNLCDFRHFTHW-UHFFFAOYSA-N 0 0 391.475 3.104 20 10 GGCDRN Cc1ccnc(N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1-c1nn[n-]n1 ZINC000826309948 1443156070 /nfs/dbraw/zinc/15/60/70/1443156070.db2.gz HKOWJBXLQDIHAB-UHFFFAOYSA-N 0 0 375.411 3.484 20 10 GGCDRN Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000826256542 1443614300 /nfs/dbraw/zinc/61/43/00/1443614300.db2.gz ORNFTJJDRKZDRL-NSHDSACASA-N 0 0 388.269 3.494 20 10 GGCDRN CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1O ZINC000819834592 1449170566 /nfs/dbraw/zinc/17/05/66/1449170566.db2.gz ORQIZMPDCJMPIY-UHFFFAOYSA-N 0 0 383.427 3.325 20 10 GGCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820413230 1449513966 /nfs/dbraw/zinc/51/39/66/1449513966.db2.gz PGSXJNTUBXVXTQ-CABCVRRESA-N 0 0 396.470 3.254 20 10 GGCDRN Oc1ccccc1C[NH2+]Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000738400015 1449955559 /nfs/dbraw/zinc/95/55/59/1449955559.db2.gz AIONRJHWGNKNQM-UHFFFAOYSA-N 0 0 387.443 3.441 20 10 GGCDRN CCOc1ccc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c(O)c1 ZINC000825639235 1450329030 /nfs/dbraw/zinc/32/90/30/1450329030.db2.gz VMCHQRGBUHLYIA-UHFFFAOYSA-N 0 0 395.463 3.014 20 10 GGCDRN CCOc1ccc(NC(=S)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000825642840 947266690 /nfs/dbraw/zinc/26/66/90/947266690.db2.gz CHTZECBKHRKCOD-UHFFFAOYSA-N 0 0 389.872 3.232 20 10 GGCDRN C[C@H]1CCCN(c2ccc(C[NH2+]Cc3cc(C(=O)[O-])nn3C)cc2Cl)C1 ZINC001589332332 953951834 /nfs/dbraw/zinc/95/18/34/953951834.db2.gz HWYQQXQFESPYMR-ZDUSSCGKSA-N 0 0 376.888 3.298 20 10 GGCDRN COC1CCN(c2ccc(C[N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000846270743 955703328 /nfs/dbraw/zinc/70/33/28/955703328.db2.gz MGORJXKHMCUAQJ-JOCHJYFZSA-N 0 0 380.488 3.486 20 10 GGCDRN Cc1cc(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)c(C)n1-c1cccc(Cl)c1 ZINC000868447751 956018802 /nfs/dbraw/zinc/01/88/02/956018802.db2.gz TWROUZGSPBOCFE-UHFFFAOYSA-N 0 0 389.883 3.026 20 10 GGCDRN CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001588674327 960528720 /nfs/dbraw/zinc/52/87/20/960528720.db2.gz BEAZXYZJNHPLPH-AWEZNQCLSA-N 0 0 396.459 3.065 20 10 GGCDRN COc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1Cn1cccn1 ZINC001574214496 962938340 /nfs/dbraw/zinc/93/83/40/962938340.db2.gz XTYNJCWPNMRQIL-PMACEKPBSA-N 0 0 377.444 3.343 20 10 GGCDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840995853 979296188 /nfs/dbraw/zinc/29/61/88/979296188.db2.gz HBYPUKQXISJOPE-SFHVURJKSA-N 0 0 383.448 3.371 20 10 GGCDRN C[C@@H]1CN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000844208696 979359742 /nfs/dbraw/zinc/35/97/42/979359742.db2.gz GBIMTUBRKLCOIL-SIJIIQCFSA-N 0 0 381.432 3.403 20 10 GGCDRN Cc1sc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1C(=O)[O-] ZINC000844212699 979370217 /nfs/dbraw/zinc/37/02/17/979370217.db2.gz MLDMZEOOTJXLCV-UHFFFAOYSA-N 0 0 386.521 3.294 20 10 GGCDRN COC1CCN(c2ccc(C[N@H+](CCc3ccccc3)CC(=O)[O-])cc2)CC1 ZINC000846269823 979435049 /nfs/dbraw/zinc/43/50/49/979435049.db2.gz QDQKHJOXXHXHCT-UHFFFAOYSA-N 0 0 382.504 3.431 20 10 GGCDRN Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)ccc1N1CCCCC1 ZINC000846280240 979448778 /nfs/dbraw/zinc/44/87/78/979448778.db2.gz VXYCGKUVZUEVJR-GOSISDBHSA-N 0 0 383.496 3.112 20 10 GGCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000853035985 979594388 /nfs/dbraw/zinc/59/43/88/979594388.db2.gz APGGHXZFGLIVJV-GOSISDBHSA-N 0 0 394.393 3.458 20 10 GGCDRN COc1ccc(N2CCC([NH2+][C@@H](C(=O)[O-])c3ccc4c(c3)CCO4)CC2)cc1 ZINC000859816638 979647868 /nfs/dbraw/zinc/64/78/68/979647868.db2.gz HWECKPXJIIDEOJ-OAQYLSRUSA-N 0 0 382.460 3.014 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000864160191 979775749 /nfs/dbraw/zinc/77/57/49/979775749.db2.gz SXBKYYADUMNYLO-GOSISDBHSA-N 0 0 383.492 3.024 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000864527445 979943625 /nfs/dbraw/zinc/94/36/25/979943625.db2.gz CRAAEZAKVDQCPB-QGZVFWFLSA-N 0 0 382.382 3.437 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCCn3nc(C(=O)[O-])cc32)c(C(F)(F)F)c1 ZINC000900074810 980246806 /nfs/dbraw/zinc/24/68/06/980246806.db2.gz YSVOQPROFYXPJY-CQSZACIVSA-N 0 0 382.386 3.291 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@H]2CCCn3nc(C(=O)[O-])cc32)c(C(F)(F)F)c1 ZINC000900074809 980247126 /nfs/dbraw/zinc/24/71/26/980247126.db2.gz YSVOQPROFYXPJY-AWEZNQCLSA-N 0 0 382.386 3.291 20 10 GGCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001595278239 980310007 /nfs/dbraw/zinc/31/00/07/980310007.db2.gz CAULUIWTKHEJNW-BUKVSMQUSA-N 0 0 398.503 3.421 20 10 GGCDRN O=C([O-])[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901777963 980508501 /nfs/dbraw/zinc/50/85/01/980508501.db2.gz CCWUZJVHITVPHF-LBPRGKRZSA-N 0 0 375.347 3.080 20 10 GGCDRN COc1ccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1Cl ZINC000901849258 980574472 /nfs/dbraw/zinc/57/44/72/980574472.db2.gz QGDLIQPSMPAJMS-IBGZPJMESA-N 0 0 390.867 3.101 20 10 GGCDRN CC[C@](C[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1)(C(=O)[O-])c1ccccc1 ZINC000901896924 980608504 /nfs/dbraw/zinc/60/85/04/980608504.db2.gz IEGYQKWOENIGRU-HSZRJFAPSA-N 0 0 393.487 3.462 20 10 GGCDRN CN(C)c1ccc([C@H](C[NH2+]Cc2ccnc3c(C(=O)[O-])cccc23)N(C)C)cc1 ZINC000905811279 981163378 /nfs/dbraw/zinc/16/33/78/981163378.db2.gz UWNYCOGRPSVIJE-NRFANRHFSA-N 0 0 392.503 3.392 20 10 GGCDRN CN(C)c1ccc([C@@H](CNC(=O)c2cc(C(=O)[O-])ccc2Cl)[NH+](C)C)cc1 ZINC000908352726 981306913 /nfs/dbraw/zinc/30/69/13/981306913.db2.gz SMLORYVQRQNHKZ-GOSISDBHSA-N 0 0 389.883 3.137 20 10 GGCDRN CN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000910344020 981882056 /nfs/dbraw/zinc/88/20/56/981882056.db2.gz NLWIZQXOHGIBJZ-IZTUGPKFSA-N 0 0 381.432 3.403 20 10 GGCDRN C[NH+](C)CCN(Cc1ccccc1F)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000910346239 981883152 /nfs/dbraw/zinc/88/31/52/981883152.db2.gz OYNICDCHEUGXIK-CSKARUKUSA-N 0 0 387.411 3.400 20 10 GGCDRN C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000910352389 981886639 /nfs/dbraw/zinc/88/66/39/981886639.db2.gz OPPRDKFBJQCOBH-CLFYSBASSA-N 0 0 387.411 3.400 20 10 GGCDRN O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368958 982386556 /nfs/dbraw/zinc/38/65/56/982386556.db2.gz IOAXXPONZSGEBO-IXDOHACOSA-N 0 0 394.899 3.017 20 10 GGCDRN CCCC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC001595749253 982421896 /nfs/dbraw/zinc/42/18/96/982421896.db2.gz UPWZPPBEPOMLBY-OAHLLOKOSA-N 0 0 391.489 3.033 20 10 GGCDRN CCN(C)c1ccc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cc1 ZINC001596194919 983578102 /nfs/dbraw/zinc/57/81/02/983578102.db2.gz XNEQFWDHPLKIET-SFHVURJKSA-N 0 0 391.512 3.039 20 10 GGCDRN CC(C)(C)OC(=O)N1CC(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C1 ZINC001589924957 988665224 /nfs/dbraw/zinc/66/52/24/988665224.db2.gz DWNBVYORJLPJMR-UHFFFAOYSA-N 0 0 398.887 3.189 20 10 GGCDRN CC(C)(C[C@@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1)C(N)=O ZINC001590654547 990347160 /nfs/dbraw/zinc/34/71/60/990347160.db2.gz PAPFDCUVMMIZMA-AWEZNQCLSA-N 0 0 384.476 3.357 20 10 GGCDRN CN(C)c1ccc([C@H](C[NH2+]Cc2c3ccccc3[nH]c2C(=O)[O-])N(C)C)cc1 ZINC001598313067 991286922 /nfs/dbraw/zinc/28/69/22/991286922.db2.gz BGLCDZZUAXCLFH-FQEVSTJZSA-N 0 0 380.492 3.325 20 10 GGCDRN CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC001598314414 991296964 /nfs/dbraw/zinc/29/69/64/991296964.db2.gz RQPYKKKUHIZVCO-HZQHCPKGSA-N 0 0 379.460 3.007 20 10 GGCDRN C[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC001598498725 992398926 /nfs/dbraw/zinc/39/89/26/992398926.db2.gz KYRPKXVTHFGUOY-IZZDOVSWSA-N 0 0 396.487 3.132 20 10 GGCDRN C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501854 992445298 /nfs/dbraw/zinc/44/52/98/992445298.db2.gz NMCCBBNQOZKGRB-RQMBKDMJSA-N 0 0 395.459 3.446 20 10 GGCDRN C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598501852 992445308 /nfs/dbraw/zinc/44/53/08/992445308.db2.gz NMCCBBNQOZKGRB-LHUXKHBRSA-N 0 0 395.459 3.446 20 10 GGCDRN COc1ccc(O)c(C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC001599598270 993777671 /nfs/dbraw/zinc/77/76/71/993777671.db2.gz JWGJPNZDNXGYKT-KRWDZBQOSA-N 0 0 380.238 3.253 20 10 GGCDRN C[NH+]1CCN(c2ccc(CNc3cc(C(F)(F)F)c(C(=O)[O-])cn3)cc2)CC1 ZINC001598624981 994073885 /nfs/dbraw/zinc/07/38/85/994073885.db2.gz WADPCEJMNWGCBU-UHFFFAOYSA-N 0 0 394.397 3.163 20 10 GGCDRN C[C@@H]([NH2+][C@H](C)c1ccccc1OCC(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001593204372 994200520 /nfs/dbraw/zinc/20/05/20/994200520.db2.gz QMHOTCGFNSMKMF-IAGOWNOFSA-N 0 0 384.476 3.398 20 10 GGCDRN C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)c1cc(C(=O)[O-])ccc1O ZINC001593211177 994262328 /nfs/dbraw/zinc/26/23/28/994262328.db2.gz VPJCXOWENXHDRF-HZMBPMFUSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593236841 994409453 /nfs/dbraw/zinc/40/94/53/994409453.db2.gz KMZBAXLGBJIENH-SNVBAGLBSA-N 0 0 393.237 3.142 20 10 GGCDRN C[C@H]([NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)c1cc(C(=O)[O-])ccc1O ZINC001593246416 994451877 /nfs/dbraw/zinc/45/18/77/994451877.db2.gz LALMVYMPWKHTSQ-QFYYESIMSA-N 0 0 385.338 3.373 20 10 GGCDRN C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1)c1cc(C(=O)[O-])ccc1O ZINC001593250851 994489652 /nfs/dbraw/zinc/48/96/52/994489652.db2.gz AMKDWXQZWDBMBM-AWEZNQCLSA-N 0 0 399.443 3.218 20 10 GGCDRN C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255921 994518214 /nfs/dbraw/zinc/51/82/14/994518214.db2.gz FKGQRWALDZDBID-LPHOPBHVSA-N 0 0 384.476 3.032 20 10 GGCDRN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593257437 994528674 /nfs/dbraw/zinc/52/86/74/994528674.db2.gz NQLWSZLBJCLDEQ-UONOGXRCSA-N 0 0 378.469 3.388 20 10 GGCDRN C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593265793 994576169 /nfs/dbraw/zinc/57/61/69/994576169.db2.gz XJZHZPJWIDFYMP-KGLIPLIRSA-N 0 0 378.469 3.388 20 10 GGCDRN C[C@H]([NH2+]CCOc1ccc(/C=C\C(=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC001593272622 994612514 /nfs/dbraw/zinc/61/25/14/994612514.db2.gz SNDRUVVFIYPQQR-NHOBBCMMSA-N 0 0 396.487 3.351 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593297856 994706509 /nfs/dbraw/zinc/70/65/09/994706509.db2.gz AZGARDSWTQKKEM-APWZRJJASA-N 0 0 386.467 3.084 20 10 GGCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593297857 994707299 /nfs/dbraw/zinc/70/72/99/994707299.db2.gz AZGARDSWTQKKEM-LPHOPBHVSA-N 0 0 386.467 3.084 20 10 GGCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cc(C(=O)[O-])ccc1O ZINC001593304345 994744506 /nfs/dbraw/zinc/74/45/06/994744506.db2.gz MDIGOJLIXYVHGG-CQSZACIVSA-N 0 0 394.427 3.464 20 10 GGCDRN C[C@@H](Oc1ccccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(=O)[O-] ZINC001593645192 995971687 /nfs/dbraw/zinc/97/16/87/995971687.db2.gz QDRHNOLWWJBUFB-VQIMIIECSA-N 0 0 385.460 3.425 20 10 GGCDRN COc1cc(Cl)cc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1O ZINC001599420663 997589344 /nfs/dbraw/zinc/58/93/44/997589344.db2.gz NXDQQAAFIULWNM-JKSUJKDBSA-N 0 0 377.824 3.060 20 10 GGCDRN COc1cc(Br)cc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001599346763 998020472 /nfs/dbraw/zinc/02/04/72/998020472.db2.gz UEEGAWSCFSABLT-UHFFFAOYSA-N 0 0 384.226 3.395 20 10 GGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000116350343 1126076231 /nfs/dbraw/zinc/07/62/31/1126076231.db2.gz POFKWSYPFMVEOM-AWEZNQCLSA-N 0 0 375.812 3.128 20 10 GGCDRN CCOCc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1OC ZINC000841793613 1126111632 /nfs/dbraw/zinc/11/16/32/1126111632.db2.gz NYXQPRNDENVKLP-FQEVSTJZSA-N 0 0 382.460 3.499 20 10 GGCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2Br)C(=O)[O-])cc1 ZINC000841816829 1126111921 /nfs/dbraw/zinc/11/19/21/1126111921.db2.gz LLMJLAIIGFMJIS-KRWDZBQOSA-N 0 0 377.282 3.301 20 10 GGCDRN COc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1C ZINC000841806638 1126111967 /nfs/dbraw/zinc/11/19/67/1126111967.db2.gz SQHZYTDUYFWYEL-GOSISDBHSA-N 0 0 383.404 3.179 20 10 GGCDRN CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2ccncn2)C(=O)[O-])cc1 ZINC000841821205 1126111973 /nfs/dbraw/zinc/11/19/73/1126111973.db2.gz CXGZPOHYXNSEBN-JOCHJYFZSA-N 0 0 390.487 3.289 20 10 GGCDRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1C ZINC000841806640 1126112020 /nfs/dbraw/zinc/11/20/20/1126112020.db2.gz SQHZYTDUYFWYEL-SFHVURJKSA-N 0 0 383.404 3.179 20 10 GGCDRN O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000864527991 1126113786 /nfs/dbraw/zinc/11/37/86/1126113786.db2.gz KYMRIFIHKFIRAH-MRXNPFEDSA-N 0 0 381.350 3.306 20 10 GGCDRN COc1ccc(C[NH2+][C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])cc1Cn1cccn1 ZINC000871874431 1126117086 /nfs/dbraw/zinc/11/70/86/1126117086.db2.gz NUVMVHLEBIGPKS-OAQYLSRUSA-N 0 0 393.487 3.342 20 10 GGCDRN CCCOc1ccc(C[NH2+][C@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cc1C ZINC000871878672 1126117294 /nfs/dbraw/zinc/11/72/94/1126117294.db2.gz RIINHSKZCWPOFR-CQSZACIVSA-N 0 0 385.386 3.242 20 10 GGCDRN Cc1cnn(C[C@@H]([NH2+]Cc2ccc(N(C)Cc3cccs3)cc2)C(=O)[O-])c1 ZINC000904006091 1126131826 /nfs/dbraw/zinc/13/18/26/1126131826.db2.gz SNXNGKXJRQCTCM-LJQANCHMSA-N 0 0 384.505 3.132 20 10 GGCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2c[nH]c3cccnc23)C(=O)[O-])cc1F ZINC000904063480 1126132622 /nfs/dbraw/zinc/13/26/22/1126132622.db2.gz RCZSWCUPUXZXPT-GOSISDBHSA-N 0 0 384.455 3.334 20 10 GGCDRN COc1ccc(CNC(=O)c2cccnc2SCc2cc(C)on2)c(O)c1 ZINC000225447293 222677916 /nfs/dbraw/zinc/67/79/16/222677916.db2.gz LGQTWZXZQBKUMF-UHFFFAOYSA-N 0 0 385.445 3.315 20 10 GGCDRN CC[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1 ZINC000229567890 212115895 /nfs/dbraw/zinc/11/58/95/212115895.db2.gz KIKIDTHQCTZXNI-TZIWHRDSSA-N 0 0 379.504 3.198 20 10 GGCDRN CN(C)c1ccc(CNC(=O)COc2ccc(Br)cc2F)cc1 ZINC000007694568 221006761 /nfs/dbraw/zinc/00/67/61/221006761.db2.gz HDSZLNKGGUQTNN-UHFFFAOYSA-N 0 0 381.245 3.349 20 10 GGCDRN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(-c3csc(N)n3)c2C)c1 ZINC000007763013 221010698 /nfs/dbraw/zinc/01/06/98/221010698.db2.gz OHGMPPKCGDPHJQ-UHFFFAOYSA-N 0 0 385.445 3.373 20 10 GGCDRN Cc1cc(C2=NNC(=NC3CC3)SC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000008194358 221030935 /nfs/dbraw/zinc/03/09/35/221030935.db2.gz QQNYAMPGFKITGP-UHFFFAOYSA-N 0 0 382.489 3.424 20 10 GGCDRN Cc1cc(C(=O)Cn2nnc3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000008710890 221051873 /nfs/dbraw/zinc/05/18/73/221051873.db2.gz SUOFGEZSNXPRLW-UHFFFAOYSA-N 0 0 388.427 3.493 20 10 GGCDRN CCNC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000008751017 221055761 /nfs/dbraw/zinc/05/57/61/221055761.db2.gz IKXSLYQRAVEIGK-UHFFFAOYSA-N 0 0 384.461 3.129 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nc(CC(N)=O)cs2)c1 ZINC000010377532 221102693 /nfs/dbraw/zinc/10/26/93/221102693.db2.gz GLNCXOPHUXLFST-UHFFFAOYSA-N 0 0 388.880 3.484 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000010962100 221109344 /nfs/dbraw/zinc/10/93/44/221109344.db2.gz IBGXLQQQLBTXEF-UHFFFAOYSA-N 0 0 386.517 3.353 20 10 GGCDRN COc1ccccc1CNC(=O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056322 221096138 /nfs/dbraw/zinc/09/61/38/221096138.db2.gz AAAWPCWAHDAJGY-UHFFFAOYSA-N 0 0 381.520 3.434 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CSc3nncc4ccccc43)CC2)cc1 ZINC000012537915 221203849 /nfs/dbraw/zinc/20/38/49/221203849.db2.gz PBJOSCOSGJGZJG-UHFFFAOYSA-N 0 0 394.500 3.079 20 10 GGCDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000012564701 221208212 /nfs/dbraw/zinc/20/82/12/221208212.db2.gz KAGCYOQNWNKZPG-UHFFFAOYSA-N 0 0 390.487 3.396 20 10 GGCDRN Cc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1C ZINC000012972328 221250387 /nfs/dbraw/zinc/25/03/87/221250387.db2.gz GIFPHCPTTVKSJJ-UHFFFAOYSA-N 0 0 388.898 3.129 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014099564 221298315 /nfs/dbraw/zinc/29/83/15/221298315.db2.gz AJINMSILKCYGKV-UHFFFAOYSA-N 0 0 377.466 3.180 20 10 GGCDRN O=C1/C(=C/c2cc3ccccc3o2)SC(=S)N1CCCN1CCOCC1 ZINC000014199448 221303913 /nfs/dbraw/zinc/30/39/13/221303913.db2.gz QLKANZZXPJEKML-LGMDPLHJSA-N 0 0 388.514 3.356 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000039561438 132391669 /nfs/dbraw/zinc/39/16/69/132391669.db2.gz KOKJZKMQYCQEHE-GOSISDBHSA-N 0 0 379.504 3.185 20 10 GGCDRN Cc1noc(C)c1CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000048356186 132432888 /nfs/dbraw/zinc/43/28/88/132432888.db2.gz GQDSXVFWVNQZHP-ZIAGYGMSSA-N 0 0 389.471 3.293 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(Cl)c[nH]1 ZINC000054017810 132441419 /nfs/dbraw/zinc/44/14/19/132441419.db2.gz XSJIDZCNLURUSY-UHFFFAOYSA-N 0 0 387.789 3.454 20 10 GGCDRN C[C@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)C[C@H](C)O1 ZINC000058168525 136154882 /nfs/dbraw/zinc/15/48/82/136154882.db2.gz KSTKFXLQTBTYED-GJZGRUSLSA-N 0 0 375.444 3.374 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)Cc3ccco3)cc2F)C[C@@H](C)O1 ZINC000058168527 136154915 /nfs/dbraw/zinc/15/49/15/136154915.db2.gz KSTKFXLQTBTYED-HUUCEWRRSA-N 0 0 375.444 3.374 20 10 GGCDRN Cc1noc2ncc(C(=O)NCc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc12 ZINC000058426345 136155588 /nfs/dbraw/zinc/15/55/88/136155588.db2.gz FAKYBLANEWRRLU-STQMWFEESA-N 0 0 398.438 3.214 20 10 GGCDRN Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000069367450 136165100 /nfs/dbraw/zinc/16/51/00/136165100.db2.gz CGVJFUQCOCISRF-UHFFFAOYSA-N 0 0 385.411 3.237 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(Cl)ccn3)cc2F)C[C@H](C)O1 ZINC000070019526 136165196 /nfs/dbraw/zinc/16/51/96/136165196.db2.gz BHEGEMKHFBEAKT-BETUJISGSA-N 0 0 377.847 3.418 20 10 GGCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000089827809 136175681 /nfs/dbraw/zinc/17/56/81/136175681.db2.gz ZQGHUKZPJCBOME-FQEVSTJZSA-N 0 0 381.501 3.049 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(Oc2cnccn2)c1 ZINC000170643820 136199255 /nfs/dbraw/zinc/19/92/55/136199255.db2.gz XIKUPPSEQAHIDZ-UHFFFAOYSA-N 0 0 376.416 3.374 20 10 GGCDRN CCOC(=O)C1=C(CSc2nccs2)NC(=O)N[C@@H]1c1ccccc1 ZINC000052913895 222007857 /nfs/dbraw/zinc/00/78/57/222007857.db2.gz FHIQIEABTXIENT-CQSZACIVSA-N 0 0 375.475 3.107 20 10 GGCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000069208388 222172854 /nfs/dbraw/zinc/17/28/54/222172854.db2.gz NKDONKIKAZZSLK-CQSZACIVSA-N 0 0 375.419 3.338 20 10 GGCDRN COc1ccccc1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000048356150 537020475 /nfs/dbraw/zinc/02/04/75/537020475.db2.gz VMDLOPJFZCWPCT-HZPDHXFCSA-N 0 0 386.467 3.307 20 10 GGCDRN C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000131037944 564699007 /nfs/dbraw/zinc/69/90/07/564699007.db2.gz AQELRGZKUSFZKO-ASCAZGACSA-N 0 0 399.148 3.116 20 10 GGCDRN CCS(=O)(=O)CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000118174810 564237071 /nfs/dbraw/zinc/23/70/71/564237071.db2.gz LRHZZNJMIKZKLU-INIZCTEOSA-N 0 0 380.535 3.256 20 10 GGCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000012846696 564271668 /nfs/dbraw/zinc/27/16/68/564271668.db2.gz DPRVPGRUJMZEOE-UHFFFAOYSA-N 0 0 395.289 3.166 20 10 GGCDRN O=C(c1cccnc1Br)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000120264090 564313096 /nfs/dbraw/zinc/31/30/96/564313096.db2.gz MJNDIXVLLDYWPO-CQSZACIVSA-N 0 0 391.265 3.371 20 10 GGCDRN Cc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)ccc1Cl ZINC000124033837 564469751 /nfs/dbraw/zinc/46/97/51/564469751.db2.gz TYMDURXRBIVJBY-UHFFFAOYSA-N 0 0 378.881 3.136 20 10 GGCDRN CCCn1c(CSc2nccs2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000052914083 564579169 /nfs/dbraw/zinc/57/91/69/564579169.db2.gz WRDYYKZVQSXNAV-UHFFFAOYSA-N 0 0 396.563 3.445 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1C ZINC000055668468 564628724 /nfs/dbraw/zinc/62/87/24/564628724.db2.gz QSHXYKCNTUFFLW-UHFFFAOYSA-N 0 0 386.470 3.005 20 10 GGCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000055668583 564628759 /nfs/dbraw/zinc/62/87/59/564628759.db2.gz XRJZCFCURMRSSD-UHFFFAOYSA-N 0 0 382.507 3.174 20 10 GGCDRN Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000056201967 564643995 /nfs/dbraw/zinc/64/39/95/564643995.db2.gz WJTTVRXCXAMESH-INIZCTEOSA-N 0 0 380.897 3.007 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cnn(C)c1C ZINC000129770166 564660233 /nfs/dbraw/zinc/66/02/33/564660233.db2.gz IZUUDUKLYIJDHB-UHFFFAOYSA-N 0 0 380.286 3.178 20 10 GGCDRN CCOc1cccc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)c1O ZINC000136967580 564857527 /nfs/dbraw/zinc/85/75/27/564857527.db2.gz VQWVJSHBNXQFMO-INIZCTEOSA-N 0 0 393.281 3.212 20 10 GGCDRN Cc1cc(C(=O)N[C@@H](C)c2nc[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000072306696 564861723 /nfs/dbraw/zinc/86/17/23/564861723.db2.gz NQODYERALCOUBC-NSHDSACASA-N 0 0 388.269 3.466 20 10 GGCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1[O-] ZINC000093015953 564883523 /nfs/dbraw/zinc/88/35/23/564883523.db2.gz WTYKNMLOEJNAKU-UHFFFAOYSA-N 0 0 382.873 3.118 20 10 GGCDRN O=C(c1cccc(Br)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000155140113 565062572 /nfs/dbraw/zinc/06/25/72/565062572.db2.gz BASUBOVATKNOQG-CQSZACIVSA-N 0 0 391.265 3.371 20 10 GGCDRN CC[C@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CCS1 ZINC000266445471 565080532 /nfs/dbraw/zinc/08/05/32/565080532.db2.gz WIZNXWFLGPIDMB-HNNXBMFYSA-N 0 0 378.563 3.369 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)C1(c2cccc(Br)c2)CC1 ZINC000156577295 565094691 /nfs/dbraw/zinc/09/46/91/565094691.db2.gz IMOKMNQARIDXNK-UHFFFAOYSA-N 0 0 376.250 3.251 20 10 GGCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000184702408 565153059 /nfs/dbraw/zinc/15/30/59/565153059.db2.gz XWVKFNDMYSXUEG-CABCVRRESA-N 0 0 383.897 3.440 20 10 GGCDRN C[C@@H]([NH2+]CCn1ccnc1)c1cc(Br)cc(Br)c1[O-] ZINC000184868544 565162199 /nfs/dbraw/zinc/16/21/99/565162199.db2.gz ZHTSLXDWYMSZOK-SECBINFHSA-N 0 0 389.091 3.465 20 10 GGCDRN C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1[O-] ZINC000184877948 565162250 /nfs/dbraw/zinc/16/22/50/565162250.db2.gz OIPBKGLGOJLDII-JTQLQIEISA-N 0 0 383.265 3.463 20 10 GGCDRN COCCOCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000185136728 565179616 /nfs/dbraw/zinc/17/96/16/565179616.db2.gz BITLQCBWXOLZNA-SECBINFHSA-N 0 0 397.107 3.231 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COc1ccccc1Br ZINC000159700258 565215385 /nfs/dbraw/zinc/21/53/85/565215385.db2.gz PRWGOGQOSIRNHP-UHFFFAOYSA-N 0 0 391.265 3.320 20 10 GGCDRN O=C(c1ccncc1Br)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000159736877 565216292 /nfs/dbraw/zinc/21/62/92/565216292.db2.gz GVLFPKJZRMWYGX-AWEZNQCLSA-N 0 0 391.265 3.371 20 10 GGCDRN CCN(Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000294556027 565218120 /nfs/dbraw/zinc/21/81/20/565218120.db2.gz LJMWUNHCXPOTAN-SFHVURJKSA-N 0 0 378.563 3.394 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000294875161 565233727 /nfs/dbraw/zinc/23/37/27/565233727.db2.gz FBTPQGDWZWLKFR-QMMMGPOBSA-N 0 0 386.681 3.158 20 10 GGCDRN CN(CSc1ncc(-c2ccccc2)n1CC(F)(F)F)S(C)(=O)=O ZINC000271105112 565238673 /nfs/dbraw/zinc/23/86/73/565238673.db2.gz RDZBNVNNOQIYEV-UHFFFAOYSA-N 0 0 379.429 3.053 20 10 GGCDRN COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000186128519 565242588 /nfs/dbraw/zinc/24/25/88/565242588.db2.gz ZEJOVTAXVOFKPA-LLVKDONJSA-N 0 0 375.296 3.377 20 10 GGCDRN CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Br)ccc1O ZINC000271210142 565242685 /nfs/dbraw/zinc/24/26/85/565242685.db2.gz UIDQNUYOGACFNQ-UHFFFAOYSA-N 0 0 384.295 3.190 20 10 GGCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000295167461 565248923 /nfs/dbraw/zinc/24/89/23/565248923.db2.gz HVSQVDFKNLCOBK-VIFPVBQESA-N 0 0 381.435 3.266 20 10 GGCDRN C[C@@H](Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(Br)ccc1O ZINC000186262161 565251098 /nfs/dbraw/zinc/25/10/98/565251098.db2.gz PVZSZXOEAGAAOE-GFCCVEGCSA-N 0 0 390.281 3.264 20 10 GGCDRN Cc1nn(C(C)C)c(C)c1CC(=O)NCc1cccc(Br)c1O ZINC000295251174 565255079 /nfs/dbraw/zinc/25/50/79/565255079.db2.gz FYSFBJLGMOZLPZ-UHFFFAOYSA-N 0 0 380.286 3.408 20 10 GGCDRN COC(=O)C12CCC(C(=O)NCc3cccc(Br)c3O)(CC1)CC2 ZINC000295268152 565256291 /nfs/dbraw/zinc/25/62/91/565256291.db2.gz HJZLBEGPOZQGFR-UHFFFAOYSA-N 0 0 396.281 3.285 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(O)c(OC)c1 ZINC000295386496 565263714 /nfs/dbraw/zinc/26/37/14/565263714.db2.gz SRWXDKLVSAAVDK-UHFFFAOYSA-N 0 0 394.265 3.460 20 10 GGCDRN COC(=O)c1cnc(SCC(=O)c2cnc(N3CCCCC3)s2)s1 ZINC000295420084 565264808 /nfs/dbraw/zinc/26/48/08/565264808.db2.gz YCTIVVAVKNGCQQ-UHFFFAOYSA-N 0 0 383.520 3.352 20 10 GGCDRN Cc1cc(Br)cc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271778350 565267095 /nfs/dbraw/zinc/26/70/95/565267095.db2.gz HHCONSOPGLPSGH-UHFFFAOYSA-N 0 0 398.322 3.499 20 10 GGCDRN C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000271785371 565268258 /nfs/dbraw/zinc/26/82/58/565268258.db2.gz FOTDERLKXTXPGV-DTWKUNHWSA-N 0 0 379.092 3.432 20 10 GGCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000271785369 565269038 /nfs/dbraw/zinc/26/90/38/565269038.db2.gz FOTDERLKXTXPGV-BDAKNGLRSA-N 0 0 379.092 3.432 20 10 GGCDRN COc1ccc(O)c(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)c1 ZINC000271969153 565273045 /nfs/dbraw/zinc/27/30/45/565273045.db2.gz NYLHKFPPUBCAPE-UHFFFAOYSA-N 0 0 385.869 3.090 20 10 GGCDRN COc1cccc(CNS(=O)(=O)Cc2ccccc2C(F)(F)F)c1O ZINC000161122217 565273424 /nfs/dbraw/zinc/27/34/24/565273424.db2.gz OEPBLSAOKSXJIC-UHFFFAOYSA-N 0 0 375.368 3.039 20 10 GGCDRN [O-]c1c(Br)cc(Br)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373467900 565287638 /nfs/dbraw/zinc/28/76/38/565287638.db2.gz SYZIMRBTGCGARK-VIFPVBQESA-N 0 0 391.103 3.386 20 10 GGCDRN Cn1cc(/C=C2/c3cc(Br)cnc3N(C)C2=O)c(-c2ccncc2)n1 ZINC000373545008 565291309 /nfs/dbraw/zinc/29/13/09/565291309.db2.gz DQIRFKRRXRDMSA-CHHVJCJISA-N 0 0 396.248 3.157 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn(C)c1Br ZINC000273294454 565315077 /nfs/dbraw/zinc/31/50/77/565315077.db2.gz STRACWVIGDOVNV-UHFFFAOYSA-N 0 0 391.313 3.445 20 10 GGCDRN C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000296754485 565334463 /nfs/dbraw/zinc/33/44/63/565334463.db2.gz KNPRULHBWURBAS-INIZCTEOSA-N 0 0 378.563 3.394 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ncncc1OC ZINC000297449492 565373074 /nfs/dbraw/zinc/37/30/74/565373074.db2.gz OZUWANBFSWHCDU-UHFFFAOYSA-N 0 0 381.230 3.007 20 10 GGCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000375846890 565409026 /nfs/dbraw/zinc/40/90/26/565409026.db2.gz KRTWBMDPUQDKIC-FJHFEUQMSA-N 0 0 386.279 3.070 20 10 GGCDRN COC(=O)c1sc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1Cl ZINC000299037551 565437658 /nfs/dbraw/zinc/43/76/58/565437658.db2.gz BIDRUINPRMZSFZ-UHFFFAOYSA-N 0 0 381.885 3.056 20 10 GGCDRN Cn1nc(Br)c2c1ncnc2NCc1ccc2c(c1)CCCN2C ZINC000301145818 565466945 /nfs/dbraw/zinc/46/69/45/565466945.db2.gz GJIDASBIMDBKFM-UHFFFAOYSA-N 0 0 387.285 3.120 20 10 GGCDRN Cn1nc(Br)c2c1ncnc2NCCCSc1nccs1 ZINC000301266510 565475459 /nfs/dbraw/zinc/47/54/59/565475459.db2.gz IHWIVKBPGDRJHZ-UHFFFAOYSA-N 0 0 385.316 3.177 20 10 GGCDRN CCN(CC)c1ccc(CNc2cnn(C)c(=O)c2Br)cc1F ZINC000301275506 565476374 /nfs/dbraw/zinc/47/63/74/565476374.db2.gz ZGYLRWJJQLMVJU-UHFFFAOYSA-N 0 0 383.265 3.140 20 10 GGCDRN CC(C)(C)c1nnc(CNC(=O)NCc2cccc(Br)c2O)s1 ZINC000277300548 565487878 /nfs/dbraw/zinc/48/78/78/565487878.db2.gz CAKKOAGFZUZUGX-UHFFFAOYSA-N 0 0 399.314 3.303 20 10 GGCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)NCc1cccc(Br)c1O ZINC000277298128 565488169 /nfs/dbraw/zinc/48/81/69/565488169.db2.gz BWRJKXJWRPDLLH-VIFPVBQESA-N 0 0 382.258 3.362 20 10 GGCDRN CC(C)(C)OC(=O)NCCCC(=O)NCc1cccc(Br)c1O ZINC000277402589 565494314 /nfs/dbraw/zinc/49/43/14/565494314.db2.gz BMUVPHLARUGFQE-UHFFFAOYSA-N 0 0 387.274 3.076 20 10 GGCDRN O=C(NCc1nc(C2CC2)cs1)NCc1cccc(Br)c1O ZINC000277399065 565494609 /nfs/dbraw/zinc/49/46/09/565494609.db2.gz JQDGHERMHKQYJU-UHFFFAOYSA-N 0 0 382.283 3.488 20 10 GGCDRN CCc1noc(CC)c1CNC(=O)NCc1cccc(Br)c1O ZINC000277487643 565501372 /nfs/dbraw/zinc/50/13/72/565501372.db2.gz QHIGLVJWLIWFHG-UHFFFAOYSA-N 0 0 382.258 3.267 20 10 GGCDRN Cc1noc(C)c1CSCC(=O)NCc1cccc(Br)c1O ZINC000277545471 565505429 /nfs/dbraw/zinc/50/54/29/565505429.db2.gz NUFUXXKWAMUWMH-UHFFFAOYSA-N 0 0 385.283 3.309 20 10 GGCDRN CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cccc(Br)c1O ZINC000277572497 565507581 /nfs/dbraw/zinc/50/75/81/565507581.db2.gz QSVAARVMVRXIPH-UHFFFAOYSA-N 0 0 387.274 3.074 20 10 GGCDRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277582108 565507952 /nfs/dbraw/zinc/50/79/52/565507952.db2.gz RMJDLCIIMJZACV-JSGCOSHPSA-N 0 0 397.313 3.056 20 10 GGCDRN CC(C)(C)OCc1cc(C(=O)NCc2cccc(Br)c2O)no1 ZINC000277602688 565509030 /nfs/dbraw/zinc/50/90/30/565509030.db2.gz UJWOMPZPPGHFME-UHFFFAOYSA-N 0 0 383.242 3.388 20 10 GGCDRN O=C(C[C@H]1OCCc2ccccc21)NCc1cccc(Br)c1O ZINC000277608882 565509501 /nfs/dbraw/zinc/50/95/01/565509501.db2.gz UZWXBUUFCKBGQK-MRXNPFEDSA-N 0 0 376.250 3.475 20 10 GGCDRN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000277616295 565509625 /nfs/dbraw/zinc/50/96/25/565509625.db2.gz VTUFAWKWMOYPEM-AWEZNQCLSA-N 0 0 397.313 3.198 20 10 GGCDRN CCCN(Cc1ccccc1O)c1ncnc2c1c(Br)nn2C ZINC000301768699 565509720 /nfs/dbraw/zinc/50/97/20/565509720.db2.gz OQCOTZLFXUYPIB-UHFFFAOYSA-N 0 0 376.258 3.248 20 10 GGCDRN CCc1cc(N(CC)Cc2cc(Br)ccc2O)n2ncnc2n1 ZINC000301878791 565515903 /nfs/dbraw/zinc/51/59/03/565515903.db2.gz OPYIGMUAUQBBAY-UHFFFAOYSA-N 0 0 376.258 3.181 20 10 GGCDRN COC(=O)CCCCCCNC(=O)NCc1cccc(Br)c1O ZINC000277752929 565517275 /nfs/dbraw/zinc/51/72/75/565517275.db2.gz NQSZYOWUFIINJL-UHFFFAOYSA-N 0 0 387.274 3.077 20 10 GGCDRN COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccc(C)o1 ZINC000277754749 565518541 /nfs/dbraw/zinc/51/85/41/565518541.db2.gz NRUGEEZUYWRFFY-ZDUSSCGKSA-N 0 0 383.242 3.243 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)N[C@@H](CCCO)c1ccccc1 ZINC000277791645 565521161 /nfs/dbraw/zinc/52/11/61/565521161.db2.gz SGYQSUXWOXGDFV-INIZCTEOSA-N 0 0 393.281 3.468 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000190580097 565543637 /nfs/dbraw/zinc/54/36/37/565543637.db2.gz BDGCHVDXRJWLIJ-UHFFFAOYSA-N 0 0 377.897 3.000 20 10 GGCDRN COc1cccc(CNc2ncc(Cn3cc(Br)cn3)s2)c1O ZINC000302807138 565558305 /nfs/dbraw/zinc/55/83/05/565558305.db2.gz GBLXCWSKMBYCJR-UHFFFAOYSA-N 0 0 395.282 3.477 20 10 GGCDRN COc1c([O-])c(C[NH2+]CCc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278465665 565560274 /nfs/dbraw/zinc/56/02/74/565560274.db2.gz GDGUZLWGUORWMG-UHFFFAOYSA-N 0 0 377.344 3.117 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c(C)nn(C)c1C ZINC000173491435 565562148 /nfs/dbraw/zinc/56/21/48/565562148.db2.gz OELWFTJOKNJAFK-UHFFFAOYSA-N 0 0 395.301 3.237 20 10 GGCDRN COc1c(O)c(CNc2ccc(Cl)c(C[S@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278497118 565562398 /nfs/dbraw/zinc/56/23/98/565562398.db2.gz MSZKTKMKVOIGHX-VWLOTQADSA-N 0 0 384.841 3.453 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccnc1OC ZINC000173778733 565584794 /nfs/dbraw/zinc/58/47/94/565584794.db2.gz ZZOMUUCRMPPQDQ-UHFFFAOYSA-N 0 0 394.269 3.290 20 10 GGCDRN COc1cccc(CNC(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)c1O ZINC000279187741 565600624 /nfs/dbraw/zinc/60/06/24/565600624.db2.gz MQRBMFVSWRYGCL-MRVPVSSYSA-N 0 0 375.372 3.437 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(Br)c1 ZINC000174062323 565610202 /nfs/dbraw/zinc/61/02/02/565610202.db2.gz FDIMTKWUORVYJR-UHFFFAOYSA-N 0 0 397.294 3.103 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c(C)noc1C ZINC000174344344 565629306 /nfs/dbraw/zinc/62/93/06/565629306.db2.gz YLYJXDKWJOVIMT-UHFFFAOYSA-N 0 0 382.258 3.491 20 10 GGCDRN CCN(Cc1noc(C2CCOCC2)n1)Cc1cc(Br)ccc1O ZINC000174425690 565634488 /nfs/dbraw/zinc/63/44/88/565634488.db2.gz KKEXXQWRGUUNOC-UHFFFAOYSA-N 0 0 396.285 3.454 20 10 GGCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2sc(N3CCCC3)nc2s1 ZINC000279848443 565636335 /nfs/dbraw/zinc/63/63/35/565636335.db2.gz JWJOVVNPTDLZDS-UHFFFAOYSA-N 0 0 375.475 3.299 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3cc(Br)ccn3)cc2)CC1 ZINC000191858443 565637779 /nfs/dbraw/zinc/63/77/79/565637779.db2.gz PUQWACYROAYSBL-UHFFFAOYSA-N 0 0 389.297 3.125 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCCc1cnn(C)c1 ZINC000174619083 565646980 /nfs/dbraw/zinc/64/69/80/565646980.db2.gz XIJFGQXVNSZWKM-UHFFFAOYSA-N 0 0 395.301 3.053 20 10 GGCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000281216122 565717646 /nfs/dbraw/zinc/71/76/46/565717646.db2.gz BCSUJDCYHMLZSC-XFXZXTDPSA-N 0 0 387.429 3.442 20 10 GGCDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193017103 565725589 /nfs/dbraw/zinc/72/55/89/565725589.db2.gz IGXLHLVGQSHTBX-JTQLQIEISA-N 0 0 393.336 3.306 20 10 GGCDRN COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000193028500 565726018 /nfs/dbraw/zinc/72/60/18/565726018.db2.gz HEVHZWUTVLRJQG-LLVKDONJSA-N 0 0 375.296 3.377 20 10 GGCDRN COc1ccc(O)c(CNc2cnc(N3CCOCC3)c(Br)c2)c1 ZINC000281386026 565726640 /nfs/dbraw/zinc/72/66/40/565726640.db2.gz WNWNQOSJKZDSOC-UHFFFAOYSA-N 0 0 394.269 3.007 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(CCOC)n1 ZINC000175919170 565733449 /nfs/dbraw/zinc/73/34/49/565733449.db2.gz CRGHQMVBTHYZQO-UHFFFAOYSA-N 0 0 397.273 3.052 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1occc1Br ZINC000176023580 565741982 /nfs/dbraw/zinc/74/19/82/565741982.db2.gz ILSMEYIXVPTFGO-UHFFFAOYSA-N 0 0 393.281 3.181 20 10 GGCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)C[C@H]3CCOC3)cc2Cl)C1 ZINC000282460397 565780882 /nfs/dbraw/zinc/78/08/82/565780882.db2.gz WBFVESVDJNUABQ-ZBFHGGJFSA-N 0 0 386.945 3.032 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000282536818 565784094 /nfs/dbraw/zinc/78/40/94/565784094.db2.gz ZGUHWSQELZWHCG-LLVKDONJSA-N 0 0 391.265 3.034 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC000282845277 565798951 /nfs/dbraw/zinc/79/89/51/565798951.db2.gz SRWCJAZDRJESHS-GFCCVEGCSA-N 0 0 392.297 3.042 20 10 GGCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCCC12CCOCC2 ZINC000282926209 565802558 /nfs/dbraw/zinc/80/25/58/565802558.db2.gz SXIJRWPQECLFJM-AWEZNQCLSA-N 0 0 383.286 3.303 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3occc3Br)CC2)cc1F ZINC000177277807 565840447 /nfs/dbraw/zinc/84/04/47/565840447.db2.gz LWLLVQHJFBPZOJ-UHFFFAOYSA-N 0 0 383.217 3.152 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1scnc1COC ZINC000284687698 565866121 /nfs/dbraw/zinc/86/61/21/565866121.db2.gz CGHURSYJEFSAOJ-UHFFFAOYSA-N 0 0 385.283 3.420 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(COC)s1 ZINC000285696547 565921611 /nfs/dbraw/zinc/92/16/11/565921611.db2.gz OPMUOKNYDROUKN-UHFFFAOYSA-N 0 0 385.283 3.420 20 10 GGCDRN Nc1ccc(CC(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000237894052 565973833 /nfs/dbraw/zinc/97/38/33/565973833.db2.gz IWJCCYLSXITYKV-QGZVFWFLSA-N 0 0 375.266 3.174 20 10 GGCDRN Nc1ccc(CC(=O)N2CCO[C@@H](c3ccccc3Br)C2)cc1 ZINC000237894368 565973890 /nfs/dbraw/zinc/97/38/90/565973890.db2.gz GZJUJBYFJIYVRL-QGZVFWFLSA-N 0 0 375.266 3.174 20 10 GGCDRN CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287227435 566005736 /nfs/dbraw/zinc/00/57/36/566005736.db2.gz YBICFBMWJHMDEC-HNNXBMFYSA-N 0 0 378.296 3.298 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCOC[C@H]1C ZINC000287709211 566035849 /nfs/dbraw/zinc/03/58/49/566035849.db2.gz 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20 10 GGCDRN COc1ccc(N(C)CC(=O)NCCc2ccc(OC(F)F)cc2)cc1OC ZINC000063616968 1408380186 /nfs/dbraw/zinc/38/01/86/1408380186.db2.gz SDEMQYXHNOMYSK-UHFFFAOYSA-N 0 0 394.418 3.100 20 10 GGCDRN COc1ccc([C@H](NC(=O)CN(C)c2ccc(OC)c(OC)c2)C2CC2)cc1 ZINC000063617196 1408380263 /nfs/dbraw/zinc/38/02/63/1408380263.db2.gz VFWAQSYKJCFRMV-JOCHJYFZSA-N 0 0 384.476 3.416 20 10 GGCDRN CC(=O)NCCCNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000063736950 1408399192 /nfs/dbraw/zinc/39/91/92/1408399192.db2.gz DIWHOKNACDGCFJ-UHFFFAOYSA-N 0 0 392.297 3.113 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063809126 1408418291 /nfs/dbraw/zinc/41/82/91/1408418291.db2.gz DZDONAUWISXJFM-UHFFFAOYSA-N 0 0 375.400 3.227 20 10 GGCDRN CCc1cccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)c1 ZINC000176440500 1428320357 /nfs/dbraw/zinc/32/03/57/1428320357.db2.gz MBEXGYRZRKPZMJ-UHFFFAOYSA-N 0 0 388.898 3.075 20 10 GGCDRN O=C(NCCOCc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000176443244 1428321441 /nfs/dbraw/zinc/32/14/41/1428321441.db2.gz GOTWIJWIXLDCDV-FQEVSTJZSA-N 0 0 384.476 3.300 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)cc1 ZINC000176443916 1428321566 /nfs/dbraw/zinc/32/15/66/1428321566.db2.gz LKFFWZAGCCDFJZ-AZZGJVAJSA-N 0 0 379.570 3.412 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)cc1 ZINC000176443888 1428321576 /nfs/dbraw/zinc/32/15/76/1428321576.db2.gz LKFFWZAGCCDFJZ-LGRWACDXSA-N 0 0 379.570 3.412 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N(CCc2ccccc2)[C@H]2CCOC2)cc1F ZINC000176465456 1428329395 /nfs/dbraw/zinc/32/93/95/1428329395.db2.gz GLVJCBCXBVDTSJ-IBGZPJMESA-N 0 0 385.483 3.435 20 10 GGCDRN COc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CCCN4C)CC2)cc1 ZINC000064561902 1408579047 /nfs/dbraw/zinc/57/90/47/1408579047.db2.gz NHAGIEDWZWBHNA-UHFFFAOYSA-N 0 0 380.492 3.432 20 10 GGCDRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nccs3)nc2c1 ZINC000064660387 1408592631 /nfs/dbraw/zinc/59/26/31/1408592631.db2.gz OKCSICWIUMMFBD-UHFFFAOYSA-N 0 0 382.536 3.342 20 10 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/nfs/dbraw/zinc/67/76/91/1408677691.db2.gz AEDMMQKIPCEQAK-UHFFFAOYSA-N 0 0 386.540 3.267 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCC1(c2ccccc2)CCC1 ZINC000065548229 1408687600 /nfs/dbraw/zinc/68/76/00/1408687600.db2.gz SUJMSJVMMLDTHD-UHFFFAOYSA-N 0 0 379.504 3.444 20 10 GGCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000065548434 1408687631 /nfs/dbraw/zinc/68/76/31/1408687631.db2.gz UEKXSJQZKCSBSR-OAQYLSRUSA-N 0 0 383.492 3.482 20 10 GGCDRN COc1ccc(OCCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000065560812 1408689501 /nfs/dbraw/zinc/68/95/01/1408689501.db2.gz ONXLKWRNWBENDO-QGZVFWFLSA-N 0 0 384.476 3.178 20 10 GGCDRN C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000065560878 1408689558 /nfs/dbraw/zinc/68/95/58/1408689558.db2.gz FMHQJMGQZOHVAJ-KRWDZBQOSA-N 0 0 393.487 3.141 20 10 GGCDRN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000065560656 1408689634 /nfs/dbraw/zinc/68/96/34/1408689634.db2.gz UYDUIUIPTVYKJN-TUJADDFYSA-N 0 0 381.432 3.322 20 10 GGCDRN C[C@@H](NC(=O)CCSCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000065561618 1408690127 /nfs/dbraw/zinc/69/01/27/1408690127.db2.gz ZJUKTHJVNQKNTK-QGZVFWFLSA-N 0 0 385.533 3.419 20 10 GGCDRN Cc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065561516 1408690144 /nfs/dbraw/zinc/69/01/44/1408690144.db2.gz KKVDWJNIHVYZKB-INIZCTEOSA-N 0 0 378.476 3.059 20 10 GGCDRN Cc1cc(C(=O)NCCC2N=NC(=S)N2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000176495229 1428339913 /nfs/dbraw/zinc/33/99/13/1428339913.db2.gz WMPXDMAHCJZDAT-UHFFFAOYSA-N 0 0 383.521 3.101 20 10 GGCDRN CSc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c2ccccn21 ZINC000065599402 1408696936 /nfs/dbraw/zinc/69/69/36/1408696936.db2.gz GRPJDXRIVHWYLY-HNNXBMFYSA-N 0 0 396.516 3.384 20 10 GGCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000065698209 1408714053 /nfs/dbraw/zinc/71/40/53/1408714053.db2.gz BOLRIFBOMSXZSZ-GOSISDBHSA-N 0 0 396.535 3.492 20 10 GGCDRN CSc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000065715877 1408716679 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COc1ccc(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000121880509 1414289083 /nfs/dbraw/zinc/28/90/83/1414289083.db2.gz IPEKANNEBYDDAF-UHFFFAOYSA-N 0 0 375.812 3.282 20 10 GGCDRN COc1ccc(N(C)Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)cc1Cl ZINC000121888839 1414292149 /nfs/dbraw/zinc/29/21/49/1414292149.db2.gz AFRRXEGGKTWDFO-UHFFFAOYSA-N 0 0 397.866 3.188 20 10 GGCDRN COc1ccc(N(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1Cl ZINC000121895710 1414296293 /nfs/dbraw/zinc/29/62/93/1414296293.db2.gz XIDIYMQDFGSSMZ-UHFFFAOYSA-N 0 0 375.856 3.125 20 10 GGCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000121906413 1414301619 /nfs/dbraw/zinc/30/16/19/1414301619.db2.gz SBXYPSWKEZDUIG-IRLDBZIGSA-N 0 0 397.519 3.213 20 10 GGCDRN CCOc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000121988018 1414332839 /nfs/dbraw/zinc/33/28/39/1414332839.db2.gz IXNFLILGOYWABF-UHFFFAOYSA-N 0 0 397.519 3.293 20 10 GGCDRN Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000122000222 1414335942 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COc1ccc(N2CCN([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)cc1F ZINC000122006250 1414338711 /nfs/dbraw/zinc/33/87/11/1414338711.db2.gz PUORKOFNFJWLMU-ZDUSSCGKSA-N 0 0 392.862 3.032 20 10 GGCDRN CCC[C@@](C)(CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000122026596 1414343321 /nfs/dbraw/zinc/34/33/21/1414343321.db2.gz JABXHPRISGZQRN-IBGZPJMESA-N 0 0 385.455 3.107 20 10 GGCDRN COc1ccc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1F ZINC000122035734 1414344929 /nfs/dbraw/zinc/34/49/29/1414344929.db2.gz YSWFHQOWUNJFLU-UHFFFAOYSA-N 0 0 377.847 3.248 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cc1F ZINC000122040011 1414346240 /nfs/dbraw/zinc/34/62/40/1414346240.db2.gz QRUSGXPZMHKUHY-HNNXBMFYSA-N 0 0 399.466 3.186 20 10 GGCDRN Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000122044657 1414348031 /nfs/dbraw/zinc/34/80/31/1414348031.db2.gz RCJJFLHGWHASBY-UHFFFAOYSA-N 0 0 390.281 3.078 20 10 GGCDRN COc1ccc(N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1F ZINC000122061089 1414352042 /nfs/dbraw/zinc/35/20/42/1414352042.db2.gz OGVHKCLNFUDHTK-UHFFFAOYSA-N 0 0 382.439 3.130 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1F ZINC000122066745 1414353637 /nfs/dbraw/zinc/35/36/37/1414353637.db2.gz UZFIKYIBASYSFA-KRWDZBQOSA-N 0 0 385.483 3.003 20 10 GGCDRN COc1ccc(N2CCN(CC(=O)Nc3cccc(SC)c3)CC2)cc1F ZINC000122065139 1414353665 /nfs/dbraw/zinc/35/36/65/1414353665.db2.gz UYGBKDRZPQMVRR-UHFFFAOYSA-N 0 0 389.496 3.317 20 10 GGCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1F ZINC000122085000 1414358967 /nfs/dbraw/zinc/35/89/67/1414358967.db2.gz PAYOXVAGMSPPOT-HNNXBMFYSA-N 0 0 399.466 3.186 20 10 GGCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1F ZINC000122085262 1414359224 /nfs/dbraw/zinc/35/92/24/1414359224.db2.gz PAYOXVAGMSPPOT-OAHLLOKOSA-N 0 0 399.466 3.186 20 10 GGCDRN COc1ccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1F ZINC000122086495 1414359438 /nfs/dbraw/zinc/35/94/38/1414359438.db2.gz KGHRLFQPXPAVBB-UHFFFAOYSA-N 0 0 375.400 3.073 20 10 GGCDRN 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CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000173205005 1426392493 /nfs/dbraw/zinc/39/24/93/1426392493.db2.gz RVZDTLBZXUNYEN-UHFFFAOYSA-N 0 0 383.839 3.026 20 10 GGCDRN COc1ccc(C)cc1-n1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000173204882 1426392597 /nfs/dbraw/zinc/39/25/97/1426392597.db2.gz KFKGSZFFOFAHGF-UHFFFAOYSA-N 0 0 392.459 3.295 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000173205743 1426393268 /nfs/dbraw/zinc/39/32/68/1426393268.db2.gz CDWHAOGZEMFCTJ-UHFFFAOYSA-N 0 0 381.354 3.128 20 10 GGCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173206874 1426393765 /nfs/dbraw/zinc/39/37/65/1426393765.db2.gz UNHPNAXXRNYNGV-NRFANRHFSA-N 0 0 391.471 3.442 20 10 GGCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000173265733 1426443226 /nfs/dbraw/zinc/44/32/26/1426443226.db2.gz ANHHAGJAAVUTKA-AWEZNQCLSA-N 0 0 398.438 3.329 20 10 GGCDRN CN(C)c1ccc(CNC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000173294095 1426474240 /nfs/dbraw/zinc/47/42/40/1426474240.db2.gz ANAGVNGVEQRRDJ-UHFFFAOYSA-N 0 0 398.463 3.414 20 10 GGCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000173342394 1426521874 /nfs/dbraw/zinc/52/18/74/1426521874.db2.gz ZVSIPBZCKMPRLJ-NRFANRHFSA-N 0 0 397.475 3.411 20 10 GGCDRN O=C(CC1(O)CCCCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173372573 1426546187 /nfs/dbraw/zinc/54/61/87/1426546187.db2.gz VBANUWKCRJJNKQ-OAHLLOKOSA-N 0 0 382.451 3.458 20 10 GGCDRN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173382453 1426555621 /nfs/dbraw/zinc/55/56/21/1426555621.db2.gz SEYQBBQWDRCAIE-QAPCUYQASA-N 0 0 397.466 3.467 20 10 GGCDRN CC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000173382288 1426556479 /nfs/dbraw/zinc/55/64/79/1426556479.db2.gz PAFCDTXKNRVBMY-AWEZNQCLSA-N 0 0 383.439 3.077 20 10 GGCDRN CN(Cc1ccncc1)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173382740 1426557799 /nfs/dbraw/zinc/55/77/99/1426557799.db2.gz FNTGARNNGPUWRY-MRXNPFEDSA-N 0 0 390.434 3.493 20 10 GGCDRN CCCCN(CCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173384757 1426559658 /nfs/dbraw/zinc/55/96/58/1426559658.db2.gz JJRINISIVXBXGG-HNNXBMFYSA-N 0 0 385.455 3.061 20 10 GGCDRN CCC[C@@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173384681 1426559727 /nfs/dbraw/zinc/55/97/27/1426559727.db2.gz ADRFZZWOYUTATQ-JKSUJKDBSA-N 0 0 399.482 3.355 20 10 GGCDRN CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCO1 ZINC000173385093 1426561770 /nfs/dbraw/zinc/56/17/70/1426561770.db2.gz SBVZTHVQQWQRNY-GDBMZVCRSA-N 0 0 383.439 3.077 20 10 GGCDRN CSCc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000173394413 1426574140 /nfs/dbraw/zinc/57/41/40/1426574140.db2.gz OHWZIDVRNXSHAO-UHFFFAOYSA-N 0 0 384.501 3.389 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cnc2ccccc2c1 ZINC000173394506 1426574511 /nfs/dbraw/zinc/57/45/11/1426574511.db2.gz PSZCGNMTOSEVHW-UHFFFAOYSA-N 0 0 375.428 3.074 20 10 GGCDRN CCOCc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000173394819 1426574590 /nfs/dbraw/zinc/57/45/90/1426574590.db2.gz LQYKJASBKVSTMP-UHFFFAOYSA-N 0 0 382.460 3.062 20 10 GGCDRN CC(C)OCc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000173395759 1426575276 /nfs/dbraw/zinc/57/52/76/1426575276.db2.gz XUGNVHPWCNUWCJ-UHFFFAOYSA-N 0 0 396.487 3.451 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccccc1N1CCCC1 ZINC000173395401 1426575577 /nfs/dbraw/zinc/57/55/77/1426575577.db2.gz DISASDFAEKOSJC-UHFFFAOYSA-N 0 0 393.487 3.126 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1ccc(F)cc1Cl ZINC000173395626 1426575721 /nfs/dbraw/zinc/57/57/21/1426575721.db2.gz FIMGERIMBDRHDI-UHFFFAOYSA-N 0 0 376.815 3.318 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(Cl)c1F ZINC000173396181 1426575750 /nfs/dbraw/zinc/57/57/50/1426575750.db2.gz PPXBYKLVOYTKIS-UHFFFAOYSA-N 0 0 376.815 3.318 20 10 GGCDRN CCOc1cc(C)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173396159 1426575981 /nfs/dbraw/zinc/57/59/81/1426575981.db2.gz IDCLBKLMTZXYHU-UHFFFAOYSA-N 0 0 382.460 3.233 20 10 GGCDRN COc1ccc(N2CCN(Cc3nc(CCc4ccccc4)no3)CC2)cc1 ZINC000173465385 1426639747 /nfs/dbraw/zinc/63/97/47/1426639747.db2.gz ZQEFXJNWCMQFOX-UHFFFAOYSA-N 0 0 378.476 3.186 20 10 GGCDRN O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000173466176 1426640601 /nfs/dbraw/zinc/64/06/01/1426640601.db2.gz LPLOAEPWLPGMEM-UHFFFAOYSA-N 0 0 377.488 3.494 20 10 GGCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCS[C@H](C(C)C)C2)c1 ZINC000173482119 1426656152 /nfs/dbraw/zinc/65/61/52/1426656152.db2.gz QIOFYNFAIYPJOO-FQEVSTJZSA-N 0 0 392.565 3.000 20 10 GGCDRN COc1ccc(N(CC(=O)N2C[C@@H](C)O[C@H](C)C2)Cc2ccco2)cc1F ZINC000173495265 1426666238 /nfs/dbraw/zinc/66/62/38/1426666238.db2.gz NADWKYMDPVEVFY-HUUCEWRRSA-N 0 0 376.428 3.070 20 10 GGCDRN O=C(NCCCOCC1CC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173537714 1426713667 /nfs/dbraw/zinc/71/36/67/1426713667.db2.gz DJLWJCFYTWHUQR-MRXNPFEDSA-N 0 0 397.466 3.373 20 10 GGCDRN COc1ccc(O)c(CNC(=O)[C@H](C)Oc2cccc(Br)c2)c1 ZINC000173579976 1426745696 /nfs/dbraw/zinc/74/56/96/1426745696.db2.gz QSUSVOULZWCGAY-NSHDSACASA-N 0 0 380.238 3.247 20 10 GGCDRN COc1ccc(O)c(CNC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)c1 ZINC000173580734 1426745965 /nfs/dbraw/zinc/74/59/65/1426745965.db2.gz NJPSMYBERXJDDZ-UHFFFAOYSA-N 0 0 389.358 3.322 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccc(OC)nc1 ZINC000173624958 1426801908 /nfs/dbraw/zinc/80/19/08/1426801908.db2.gz QJEFLIRGEIRLQO-UHFFFAOYSA-N 0 0 394.269 3.290 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccn(CCc2ccncc2)n1 ZINC000173629783 1426802736 /nfs/dbraw/zinc/80/27/36/1426802736.db2.gz MSEMLVQACXEKCF-UHFFFAOYSA-N 0 0 391.475 3.427 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-n3cncn3)cc2C)cc1F ZINC000173631342 1426803419 /nfs/dbraw/zinc/80/34/19/1426803419.db2.gz GXVKHRJXSPAKOO-UHFFFAOYSA-N 0 0 381.455 3.491 20 10 GGCDRN COc1cccc(CNC(=O)NCc2cc(N(C)C)nc3ccccc23)c1O ZINC000173662925 1426813467 /nfs/dbraw/zinc/81/34/67/1426813467.db2.gz DIMGVMWASPURGJ-UHFFFAOYSA-N 0 0 380.448 3.014 20 10 GGCDRN Cc1ccn2c(c1)ncc(C(=O)N(Cc1ccco1)Cc1ccccc1O)c2=O ZINC000173667738 1426815170 /nfs/dbraw/zinc/81/51/70/1426815170.db2.gz QITCRDXVLWGODJ-UHFFFAOYSA-N 0 0 389.411 3.144 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000173744161 1426837072 /nfs/dbraw/zinc/83/70/72/1426837072.db2.gz DGLMQDAAZSGXNG-UHFFFAOYSA-N 0 0 394.475 3.072 20 10 GGCDRN COc1cccc(CNC(=O)NCc2ccc(N3CCCCCC3)nc2)c1O ZINC000173765557 1426844620 /nfs/dbraw/zinc/84/46/20/1426844620.db2.gz JALNBBPUWYBLEP-UHFFFAOYSA-N 0 0 384.480 3.176 20 10 GGCDRN O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccs1 ZINC000173805335 1426855819 /nfs/dbraw/zinc/85/58/19/1426855819.db2.gz AOTWAYMYWHNFHQ-GFCCVEGCSA-N 0 0 388.461 3.297 20 10 GGCDRN CNC(=O)CC1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000173821011 1426860251 /nfs/dbraw/zinc/86/02/51/1426860251.db2.gz RFZAZTDVBXOESO-UHFFFAOYSA-N 0 0 383.492 3.091 20 10 GGCDRN C[C@@H](CCc1cccn1C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000173830546 1426863103 /nfs/dbraw/zinc/86/31/03/1426863103.db2.gz WLRZXADLWNEUQG-SFHVURJKSA-N 0 0 384.524 3.024 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)CCc3cccn3C)CC2)cc1 ZINC000173839939 1426866401 /nfs/dbraw/zinc/86/64/01/1426866401.db2.gz MCNVQMBFOOGPSV-GOSISDBHSA-N 0 0 384.524 3.277 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)CCc3cccn3C)CC2)cc1 ZINC000173839927 1426866420 /nfs/dbraw/zinc/86/64/20/1426866420.db2.gz MCNVQMBFOOGPSV-SFHVURJKSA-N 0 0 384.524 3.277 20 10 GGCDRN COc1cccc(CNC(=O)NCCc2ccc(OC(F)(F)F)cc2)c1O ZINC000173882458 1426880825 /nfs/dbraw/zinc/88/08/25/1426880825.db2.gz MNNHCXJGMNRAFP-UHFFFAOYSA-N 0 0 384.354 3.341 20 10 GGCDRN COc1cccc(CNC(=O)NCCNc2ncc(Cl)cc2Cl)c1O ZINC000173923790 1426893762 /nfs/dbraw/zinc/89/37/62/1426893762.db2.gz MJXFSTGXATYPFY-UHFFFAOYSA-N 0 0 385.251 3.014 20 10 GGCDRN O=C(NCc1ccccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173988441 1426928619 /nfs/dbraw/zinc/92/86/19/1426928619.db2.gz CBZKYVHRNPTXQM-HNNXBMFYSA-N 0 0 376.407 3.151 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000173992817 1426930870 /nfs/dbraw/zinc/93/08/70/1426930870.db2.gz LUIKBSMHLDSDGZ-UHFFFAOYSA-N 0 0 388.265 3.413 20 10 GGCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H](C)c1cnn(C)c1C ZINC000174013445 1426943429 /nfs/dbraw/zinc/94/34/29/1426943429.db2.gz YDEJBFANSNOXQP-NSHDSACASA-N 0 0 395.301 3.489 20 10 GGCDRN CCO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000174032696 1426955705 /nfs/dbraw/zinc/95/57/05/1426955705.db2.gz FRPNJXIODWGUBI-OALUTQOASA-N 0 0 389.565 3.387 20 10 GGCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000174032683 1426956049 /nfs/dbraw/zinc/95/60/49/1426956049.db2.gz FRPNJXIODWGUBI-RBUKOAKNSA-N 0 0 389.565 3.387 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000174063367 1426982072 /nfs/dbraw/zinc/98/20/72/1426982072.db2.gz ZHEUHBRCCIMDGE-UHFFFAOYSA-N 0 0 386.395 3.359 20 10 GGCDRN Cc1nc(-c2ccc(S(=O)(=O)N3CCOc4cc(N(C)C)ccc43)cc2)co1 ZINC000174064560 1426982855 /nfs/dbraw/zinc/98/28/55/1426982855.db2.gz IPMRAXXVEOPLIF-UHFFFAOYSA-N 0 0 399.472 3.304 20 10 GGCDRN COc1cccc(CNC(=O)NCCOc2ccc(C(F)(F)F)cc2)c1O ZINC000174096541 1427000904 /nfs/dbraw/zinc/00/09/04/1427000904.db2.gz NQQNRXQGTRHNKA-UHFFFAOYSA-N 0 0 384.354 3.298 20 10 GGCDRN CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1(C)C ZINC000174109098 1427005528 /nfs/dbraw/zinc/00/55/28/1427005528.db2.gz XPJRDVBSBHVIDK-NQIIRXRSSA-N 0 0 393.503 3.007 20 10 GGCDRN CCSCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000174110035 1427005971 /nfs/dbraw/zinc/00/59/71/1427005971.db2.gz AZUILVDWDGSQGE-OAHLLOKOSA-N 0 0 397.560 3.460 20 10 GGCDRN CN1CCCc2cc(CNC(=O)Nc3cccc(N4CCCNC4=O)c3)ccc21 ZINC000174186346 1427038525 /nfs/dbraw/zinc/03/85/25/1427038525.db2.gz OCOPEUMHZVOAOX-UHFFFAOYSA-N 0 0 393.491 3.310 20 10 GGCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(N3CCCNC3=O)c2)cc1F ZINC000174189150 1427040565 /nfs/dbraw/zinc/04/05/65/1427040565.db2.gz DOGGQGUVXZWLFM-UHFFFAOYSA-N 0 0 385.443 3.133 20 10 GGCDRN O=C(NCc1cccc(O)c1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174196495 1427045012 /nfs/dbraw/zinc/04/50/12/1427045012.db2.gz WQVPVCQKBLFGQY-OAHLLOKOSA-N 0 0 391.418 3.462 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@H](CN3CCOCC3)C2)c(C)n1-c1ccccc1C ZINC000174202259 1427048240 /nfs/dbraw/zinc/04/82/40/1427048240.db2.gz RWPREDCFQFKMMU-HXUWFJFHSA-N 0 0 381.520 3.197 20 10 GGCDRN C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC[C@H]1c1ccccc1 ZINC000174232010 1427061594 /nfs/dbraw/zinc/06/15/94/1427061594.db2.gz MFDXMQKPBOIMMP-WMLDXEAASA-N 0 0 388.489 3.030 20 10 GGCDRN CCc1cnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000174238075 1427064542 /nfs/dbraw/zinc/06/45/42/1427064542.db2.gz HZRWMKUSVYGHSB-UHFFFAOYSA-N 0 0 378.473 3.127 20 10 GGCDRN CCc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1[N+](=O)[O-] ZINC000174253645 1427071608 /nfs/dbraw/zinc/07/16/08/1427071608.db2.gz VDSMIWSNGHFYPN-UHFFFAOYSA-N 0 0 397.475 3.296 20 10 GGCDRN COc1cccc(CNC(=O)NCc2ccc(F)cc2Br)c1O ZINC000174265568 1427075476 /nfs/dbraw/zinc/07/54/76/1427075476.db2.gz YORIJUBRKZPJAX-UHFFFAOYSA-N 0 0 383.217 3.302 20 10 GGCDRN CCc1nc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)sc1C ZINC000174343910 1427111485 /nfs/dbraw/zinc/11/14/85/1427111485.db2.gz HEOPBCKOZJPTCA-UHFFFAOYSA-N 0 0 378.473 3.311 20 10 GGCDRN O=C(/C=C/c1ccc2c(c1)CCO2)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000174442143 1427157481 /nfs/dbraw/zinc/15/74/81/1427157481.db2.gz UJLUBTRNJYMYTL-ZZXKWVIFSA-N 0 0 396.462 3.051 20 10 GGCDRN COc1ccccc1/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000174441998 1427157745 /nfs/dbraw/zinc/15/77/45/1427157745.db2.gz ZDLCRUXSFNNDND-VQHVLOKHSA-N 0 0 384.451 3.125 20 10 GGCDRN CCc1nnc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)s1 ZINC000174470247 1427171290 /nfs/dbraw/zinc/17/12/90/1427171290.db2.gz XLPWBBUKPACYCD-LLVKDONJSA-N 0 0 397.451 3.492 20 10 GGCDRN CC(=O)N[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccc(C)cc1 ZINC000174511109 1427193345 /nfs/dbraw/zinc/19/33/45/1427193345.db2.gz IFCIQGZZRZVPOY-NRFANRHFSA-N 0 0 380.488 3.463 20 10 GGCDRN O=C(COc1ccc(N2CCCC2=O)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000174511169 1427193459 /nfs/dbraw/zinc/19/34/59/1427193459.db2.gz ADADRBHTAVSBOX-UHFFFAOYSA-N 0 0 394.471 3.093 20 10 GGCDRN C[C@H]1CN(c2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cn2)C[C@H](C)O1 ZINC000174511304 1427193591 /nfs/dbraw/zinc/19/35/91/1427193591.db2.gz IKIRGDPULGDBQX-HOTGVXAUSA-N 0 0 395.503 3.210 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000174514437 1427195424 /nfs/dbraw/zinc/19/54/24/1427195424.db2.gz NLCNBBPQFDFNRI-HXUWFJFHSA-N 0 0 378.472 3.192 20 10 GGCDRN O=C(COc1ccc2ccc(=O)oc2c1)NCc1c(O)ccc2c1CCCC2 ZINC000174513932 1427195544 /nfs/dbraw/zinc/19/55/44/1427195544.db2.gz SWWZKPKYHTWZCR-UHFFFAOYSA-N 0 0 379.412 3.073 20 10 GGCDRN CC(C)S(=O)(=O)c1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000174517964 1427198171 /nfs/dbraw/zinc/19/81/71/1427198171.db2.gz IKIBJHMECVHGNA-UHFFFAOYSA-N 0 0 387.501 3.383 20 10 GGCDRN CC(C)(C)C(=O)NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174532523 1427208158 /nfs/dbraw/zinc/20/81/58/1427208158.db2.gz CRRFRQIUIDXWKF-UHFFFAOYSA-N 0 0 375.513 3.399 20 10 GGCDRN COc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1Br ZINC000174572450 1427233219 /nfs/dbraw/zinc/23/32/19/1427233219.db2.gz ARNFYHXKDSDPNM-UHFFFAOYSA-N 0 0 395.253 3.171 20 10 GGCDRN CCO[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C12CCC2 ZINC000174606706 1427257504 /nfs/dbraw/zinc/25/75/04/1427257504.db2.gz OIHBRIFWQFCZFL-PMACEKPBSA-N 0 0 387.524 3.311 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3C[C@](C)(OC)C3(C)C)CC2)cc1 ZINC000174607516 1427259178 /nfs/dbraw/zinc/25/91/78/1427259178.db2.gz SKBIBXWBLMEAIH-RXVVDRJESA-N 0 0 375.513 3.167 20 10 GGCDRN CC(C)OCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174685163 1427309002 /nfs/dbraw/zinc/30/90/02/1427309002.db2.gz OOSQKICRVYWNPV-HNNXBMFYSA-N 0 0 385.455 3.371 20 10 GGCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174687235 1427310261 /nfs/dbraw/zinc/31/02/61/1427310261.db2.gz NGLXCCMWPSMXNN-UHFFFAOYSA-N 0 0 386.470 3.087 20 10 GGCDRN O=C(Nc1ccc2[nH]ccc2c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000174693423 1427313401 /nfs/dbraw/zinc/31/34/01/1427313401.db2.gz ROTGDFPQRXBCTD-SFHVURJKSA-N 0 0 393.443 3.020 20 10 GGCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000174703571 1427319297 /nfs/dbraw/zinc/31/92/97/1427319297.db2.gz FKRXKIMYTYGUDV-UHFFFAOYSA-N 0 0 378.476 3.232 20 10 GGCDRN CC(=O)Nc1ccc(CCNC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000174719554 1427329298 /nfs/dbraw/zinc/32/92/98/1427329298.db2.gz XQEIVJMFEHFEFH-UHFFFAOYSA-N 0 0 381.476 3.271 20 10 GGCDRN Oc1ccc2ccccc2c1C[NH+]1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738401956 1427371666 /nfs/dbraw/zinc/37/16/66/1427371666.db2.gz YCSJWNJHTRVGOI-UHFFFAOYSA-N 0 0 386.459 3.048 20 10 GGCDRN COCCN(Cc1nc(-c2cccs2)no1)c1ccc(OC)c(OC)c1 ZINC000174798607 1427374914 /nfs/dbraw/zinc/37/49/14/1427374914.db2.gz VHJSWYAJBREPRP-UHFFFAOYSA-N 0 0 375.450 3.468 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccc4n[nH]cc4c3)cc2)CC1 ZINC000174851822 1427407692 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377.441 3.060 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOCC4(CCOCC4)C3)c2C)cc1 ZINC000183365463 1430690990 /nfs/dbraw/zinc/69/09/90/1430690990.db2.gz YRVJIWHNUWYYAI-UHFFFAOYSA-N 0 0 398.503 3.372 20 10 GGCDRN Cc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1C(C)C ZINC000183434527 1430710986 /nfs/dbraw/zinc/71/09/86/1430710986.db2.gz DQPGCHHYLVIENB-AWEZNQCLSA-N 0 0 394.475 3.471 20 10 GGCDRN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183445531 1430713920 /nfs/dbraw/zinc/71/39/20/1430713920.db2.gz FVHYAUOEUYJTTB-AUUYWEPGSA-N 0 0 380.444 3.109 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000183457790 1430716281 /nfs/dbraw/zinc/71/62/81/1430716281.db2.gz JHUNIVCLTDGSSJ-YESZJQIVSA-N 0 0 398.503 3.068 20 10 GGCDRN CCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccc(F)cc1 ZINC000183485031 1430724370 /nfs/dbraw/zinc/72/43/70/1430724370.db2.gz GLZWCOILKJRGIL-ZDUSSCGKSA-N 0 0 383.423 3.346 20 10 GGCDRN CCc1nc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cs1 ZINC000183697271 1430775470 /nfs/dbraw/zinc/77/54/70/1430775470.db2.gz FQNRMZZPZBGAHU-UHFFFAOYSA-N 0 0 377.510 3.054 20 10 GGCDRN COc1cc(N2CCN(CCC(=O)c3ccccc3)CC2)cc(OC)c1OC ZINC000183700711 1430776717 /nfs/dbraw/zinc/77/67/17/1430776717.db2.gz JLZQHFMFLQWHJS-UHFFFAOYSA-N 0 0 384.476 3.107 20 10 GGCDRN COc1cc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)cc(OC)c1OC ZINC000183702831 1430777609 /nfs/dbraw/zinc/77/76/09/1430777609.db2.gz WTCWDSUJSPKALC-AWEZNQCLSA-N 0 0 390.484 3.102 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000183795204 1430795692 /nfs/dbraw/zinc/79/56/92/1430795692.db2.gz FAHVFNYHCWXKHK-UHFFFAOYSA-N 0 0 390.443 3.147 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@H]2CCCc3ccccc32)cc1 ZINC000183799961 1430796492 /nfs/dbraw/zinc/79/64/92/1430796492.db2.gz ZDEJZYHCPOHPIM-NRFANRHFSA-N 0 0 396.487 3.211 20 10 GGCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2c(C)cccc2Cl)cc1 ZINC000183801120 1430797339 /nfs/dbraw/zinc/79/73/39/1430797339.db2.gz NAHROKAOJKSIPG-UHFFFAOYSA-N 0 0 376.840 3.275 20 10 GGCDRN COC(=O)C1(CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)CCOCC1 ZINC000183803115 1430797557 /nfs/dbraw/zinc/79/75/57/1430797557.db2.gz IUSOISZOJXVINS-UHFFFAOYSA-N 0 0 384.476 3.102 20 10 GGCDRN COC(=O)COc1ccc(N(C)Cc2cccc(C(=O)NCC(C)C)c2)cc1 ZINC000183804619 1430798342 /nfs/dbraw/zinc/79/83/42/1430798342.db2.gz VYSSZWFYWDOSRU-UHFFFAOYSA-N 0 0 384.476 3.261 20 10 GGCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccccc1CN1CCNC1=O ZINC000183974724 1430821212 /nfs/dbraw/zinc/82/12/12/1430821212.db2.gz MNSYXYMEFWKYHX-UHFFFAOYSA-N 0 0 394.475 3.118 20 10 GGCDRN CCSCc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)no1 ZINC000184035235 1430832235 /nfs/dbraw/zinc/83/22/35/1430832235.db2.gz BBOHSDQGSKYMSZ-UHFFFAOYSA-N 0 0 375.494 3.037 20 10 GGCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c(C)n1-c1ccccn1 ZINC000184073268 1430837529 /nfs/dbraw/zinc/83/75/29/1430837529.db2.gz XXFWHZADUNZDCY-HKUYNNGSSA-N 0 0 381.476 3.089 20 10 GGCDRN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000184122050 1430844167 /nfs/dbraw/zinc/84/41/67/1430844167.db2.gz FRXADQDANUVUKG-IBGZPJMESA-N 0 0 385.508 3.326 20 10 GGCDRN Cc1ccc(CS(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000184157274 1430848333 /nfs/dbraw/zinc/84/83/33/1430848333.db2.gz DZJOHHKFWNKVRP-SFHVURJKSA-N 0 0 393.480 3.351 20 10 GGCDRN Cc1cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1-c1ccc(C#N)cc1 ZINC000184173679 1430850844 /nfs/dbraw/zinc/85/08/44/1430850844.db2.gz KZRWZHCVWAGSSF-UHFFFAOYSA-N 0 0 385.427 3.065 20 10 GGCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184229319 1430859281 /nfs/dbraw/zinc/85/92/81/1430859281.db2.gz SUJTYYAMYWDMPE-UHFFFAOYSA-N 0 0 377.466 3.061 20 10 GGCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000184232426 1430859854 /nfs/dbraw/zinc/85/98/54/1430859854.db2.gz RSBPJJPXXNPMOO-UHFFFAOYSA-N 0 0 376.384 3.472 20 10 GGCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(N4CCCC4=O)cc3)c2)CC1 ZINC000184268813 1430865303 /nfs/dbraw/zinc/86/53/03/1430865303.db2.gz GIOXBVLQHJYPPT-UHFFFAOYSA-N 0 0 392.503 3.208 20 10 GGCDRN CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000184296542 1430870036 /nfs/dbraw/zinc/87/00/36/1430870036.db2.gz CNDOSESUEXLSKG-UTKZUKDTSA-N 0 0 392.515 3.388 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(N(C)C)nc2ccccc21 ZINC000184330764 1430873941 /nfs/dbraw/zinc/87/39/41/1430873941.db2.gz MCCCOBSLWQWCGN-UHFFFAOYSA-N 0 0 376.460 3.406 20 10 GGCDRN Cc1cnc([C@@H](C)CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000184496594 1430895076 /nfs/dbraw/zinc/89/50/76/1430895076.db2.gz GCQIBHTUWUQKOH-HNNXBMFYSA-N 0 0 388.537 3.233 20 10 GGCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC(=O)NCc1ccccn1 ZINC000184541999 1430901128 /nfs/dbraw/zinc/90/11/28/1430901128.db2.gz WWERZBPFSCFKBO-UHFFFAOYSA-N 0 0 390.487 3.234 20 10 GGCDRN Cn1cnc(-c2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cc2)n1 ZINC000184625819 1430923109 /nfs/dbraw/zinc/92/31/09/1430923109.db2.gz FWANEFPGVDDQLA-UHFFFAOYSA-N 0 0 376.464 3.404 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3nn(-c4ccccc4)cc3C)CC2)cc1 ZINC000184696908 1430945412 /nfs/dbraw/zinc/94/54/12/1430945412.db2.gz OJHNHEBHARQBNQ-UHFFFAOYSA-N 0 0 376.460 3.152 20 10 GGCDRN C[C@H](c1nccs1)N1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000184760948 1430969368 /nfs/dbraw/zinc/96/93/68/1430969368.db2.gz BIRYCEBSMLTDBM-MRXNPFEDSA-N 0 0 399.564 3.114 20 10 GGCDRN CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000184775332 1430974358 /nfs/dbraw/zinc/97/43/58/1430974358.db2.gz KJSYSHZSRUDYQA-YLJYHZDGSA-N 0 0 378.488 3.264 20 10 GGCDRN COc1cc(N2CCN(C(=O)C[C@H]3CCC[C@H]3C)CC2)cc(OC)c1OC ZINC000184793339 1430979408 /nfs/dbraw/zinc/97/94/08/1430979408.db2.gz ADQGGTZSKYDGHN-HZPDHXFCSA-N 0 0 376.497 3.187 20 10 GGCDRN CC1(CO)CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000184825113 1430992114 /nfs/dbraw/zinc/99/21/14/1430992114.db2.gz PHDMPQRVDHPXAF-OAHLLOKOSA-N 0 0 397.466 3.061 20 10 GGCDRN COCc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1-c1ccccc1 ZINC000184939930 1431026854 /nfs/dbraw/zinc/02/68/54/1431026854.db2.gz ZPFWXCXOWMGHNI-UHFFFAOYSA-N 0 0 378.476 3.357 20 10 GGCDRN CCSCc1cc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)no1 ZINC000184959626 1431031491 /nfs/dbraw/zinc/03/14/91/1431031491.db2.gz ILIOAAVHJWDDKY-UHFFFAOYSA-N 0 0 379.457 3.038 20 10 GGCDRN C[C@H](c1nccs1)N1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000184971204 1431033770 /nfs/dbraw/zinc/03/37/70/1431033770.db2.gz SGWBRHYXRZIEOY-QGZVFWFLSA-N 0 0 397.548 3.108 20 10 GGCDRN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000185146313 1431071970 /nfs/dbraw/zinc/07/19/70/1431071970.db2.gz WUKAGCBTRUSTTD-CYBMUJFWSA-N 0 0 380.485 3.459 20 10 GGCDRN COCc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccccc1 ZINC000185337929 1431119012 /nfs/dbraw/zinc/11/90/12/1431119012.db2.gz AVJUEZTUELJEHD-UHFFFAOYSA-N 0 0 382.439 3.154 20 10 GGCDRN COc1ccc(N2CCC(NC(=O)NCC3(OC)CCCCC3)CC2)cc1 ZINC000185337245 1431119479 /nfs/dbraw/zinc/11/94/79/1431119479.db2.gz NDTBQDJVSFBNDT-UHFFFAOYSA-N 0 0 375.513 3.313 20 10 GGCDRN CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185355945 1431124655 /nfs/dbraw/zinc/12/46/55/1431124655.db2.gz PLLFZDZHZVYIFF-AWEZNQCLSA-N 0 0 380.485 3.210 20 10 GGCDRN CCc1ccccc1C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000185502999 1431159366 /nfs/dbraw/zinc/15/93/66/1431159366.db2.gz UMKIECOKVKYCCO-UHFFFAOYSA-N 0 0 384.476 3.237 20 10 GGCDRN COc1cc(N2CCN(C(=O)C(C)(C)CC(C)C)CC2)cc(OC)c1OC ZINC000185506144 1431160366 /nfs/dbraw/zinc/16/03/66/1431160366.db2.gz OXDJUGUZCLXSEG-UHFFFAOYSA-N 0 0 378.513 3.433 20 10 GGCDRN CCc1ccc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1 ZINC000185507581 1431160914 /nfs/dbraw/zinc/16/09/14/1431160914.db2.gz GHOGABFHJHPNPL-UHFFFAOYSA-N 0 0 384.476 3.237 20 10 GGCDRN COc1cc(N2CCN(C(=O)/C=C/C3CCCCC3)CC2)cc(OC)c1OC ZINC000185518965 1431163366 /nfs/dbraw/zinc/16/33/66/1431163366.db2.gz ZLRXINHPASWNPX-MDZDMXLPSA-N 0 0 388.508 3.498 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cc(C)ccc3C)CC2)cc(OC)c1OC ZINC000185520869 1431163597 /nfs/dbraw/zinc/16/35/97/1431163597.db2.gz KUELSRKZSPWFIQ-UHFFFAOYSA-N 0 0 384.476 3.292 20 10 GGCDRN O=C(NCCCSc1nccs1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000185545228 1431168139 /nfs/dbraw/zinc/16/81/39/1431168139.db2.gz ZJCMKKSQORUZLB-GOSISDBHSA-N 0 0 375.519 3.466 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCc3ccc(C(C)(C)O)cc3)CC2)cc1 ZINC000185636437 1431190903 /nfs/dbraw/zinc/19/09/03/1431190903.db2.gz UHOJUYQUXVHQFA-UHFFFAOYSA-N 0 0 397.519 3.345 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@H](C)CCS(C)(=O)=O)c2C)cc1 ZINC000185756975 1431226291 /nfs/dbraw/zinc/22/62/91/1431226291.db2.gz FQPPXIIARQPQPN-CQSZACIVSA-N 0 0 379.478 3.083 20 10 GGCDRN Cc1cc(C(=O)N2CCN([C@@H](C)c3nccs3)CC2)c(C)n1-c1ccccn1 ZINC000185767207 1431228994 /nfs/dbraw/zinc/22/89/94/1431228994.db2.gz JIPABAFKUCMLAM-KRWDZBQOSA-N 0 0 395.532 3.465 20 10 GGCDRN Cc1cc2c(cc1C)[C@@H](C(=O)NCc1ccc(N3CCC(CO)CC3)cc1)CO2 ZINC000185782600 1431234488 /nfs/dbraw/zinc/23/44/88/1431234488.db2.gz UUCWRVOPDNFHAT-QFIPXVFZSA-N 0 0 394.515 3.305 20 10 GGCDRN COC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCCCC1 ZINC000185890312 1431265271 /nfs/dbraw/zinc/26/52/71/1431265271.db2.gz KVUKTELEABGBAX-GOSISDBHSA-N 0 0 376.497 3.432 20 10 GGCDRN CCOC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000185907478 1431274272 /nfs/dbraw/zinc/27/42/72/1431274272.db2.gz TTXAYRHUQXXNKA-GOSISDBHSA-N 0 0 388.512 3.049 20 10 GGCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(COc2ccccc2F)on1 ZINC000185945215 1431289467 /nfs/dbraw/zinc/28/94/67/1431289467.db2.gz UJANFWYISFIHFZ-UHFFFAOYSA-N 0 0 397.406 3.498 20 10 GGCDRN Cc1cc2c(cc1C)[C@H](C(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CO2 ZINC000185960360 1431297994 /nfs/dbraw/zinc/29/79/94/1431297994.db2.gz XUPOAOBPKJZUIJ-LJQANCHMSA-N 0 0 398.478 3.196 20 10 GGCDRN COc1ccc(N2CCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])CC2)cc1 ZINC000185969153 1431301415 /nfs/dbraw/zinc/30/14/15/1431301415.db2.gz TXUVOIWRYOQLQM-UHFFFAOYSA-N 0 0 387.461 3.288 20 10 GGCDRN C[C@@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000186055150 1431320832 /nfs/dbraw/zinc/32/08/32/1431320832.db2.gz HTVGAWTVRRIGEP-OAHLLOKOSA-N 0 0 392.496 3.176 20 10 GGCDRN CSCCCCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000186190877 1431349416 /nfs/dbraw/zinc/34/94/16/1431349416.db2.gz FKSSSZWVTJVDRD-UHFFFAOYSA-N 0 0 379.570 3.228 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)c3ccnc(O[C@@H]4CCOC4)c3)cc2)CC1 ZINC000186202292 1431351573 /nfs/dbraw/zinc/35/15/73/1431351573.db2.gz FFGCFUIZNAKRDK-OAQYLSRUSA-N 0 0 395.503 3.416 20 10 GGCDRN CCSCc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000186227798 1431357511 /nfs/dbraw/zinc/35/75/11/1431357511.db2.gz YCCRKXYBBMMJAI-OAHLLOKOSA-N 0 0 376.478 3.455 20 10 GGCDRN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186270734 1431367537 /nfs/dbraw/zinc/36/75/37/1431367537.db2.gz GQNWQSZUDQXZFS-NHCUHLMSSA-N 0 0 389.540 3.258 20 10 GGCDRN CSCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000186285546 1431371567 /nfs/dbraw/zinc/37/15/67/1431371567.db2.gz FGPIBVZFVOFPQO-UHFFFAOYSA-N 0 0 375.469 3.010 20 10 GGCDRN COc1ccc(N2CCCN(S(=O)(=O)c3c(C)cccc3F)CC2)cc1 ZINC000186373720 1431395222 /nfs/dbraw/zinc/39/52/22/1431395222.db2.gz IWBKBUBPRKSARZ-UHFFFAOYSA-N 0 0 378.469 3.044 20 10 GGCDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186387882 1431398114 /nfs/dbraw/zinc/39/81/14/1431398114.db2.gz MUSXXDOTJUQZJU-OAHLLOKOSA-N 0 0 384.476 3.073 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000186400465 1431402003 /nfs/dbraw/zinc/40/20/03/1431402003.db2.gz JLMWRHCJAOXNGF-SECBINFHSA-N 0 0 384.310 3.386 20 10 GGCDRN C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(Cl)ccc1O ZINC000186403261 1431403506 /nfs/dbraw/zinc/40/35/06/1431403506.db2.gz DXJUJZCCHGJIKG-CQSZACIVSA-N 0 0 389.883 3.489 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000186406800 1431405140 /nfs/dbraw/zinc/40/51/40/1431405140.db2.gz BRFDDGVAKOCCDL-VIFPVBQESA-N 0 0 384.310 3.386 20 10 GGCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000186416570 1431410377 /nfs/dbraw/zinc/41/03/77/1431410377.db2.gz IBBPAHRJLREQPG-WDEREUQCSA-N 0 0 399.413 3.324 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(CSc2nccn2C)c1 ZINC000186422258 1431413680 /nfs/dbraw/zinc/41/36/80/1431413680.db2.gz XAMXDSFNVHEBRJ-AWEZNQCLSA-N 0 0 397.500 3.485 20 10 GGCDRN C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc2ccccc2c1O ZINC000186444356 1431421283 /nfs/dbraw/zinc/42/12/83/1431421283.db2.gz DDMOELMMQZOCDI-AWEZNQCLSA-N 0 0 377.444 3.324 20 10 GGCDRN C[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc2ccccc2c1O ZINC000186444371 1431421569 /nfs/dbraw/zinc/42/15/69/1431421569.db2.gz DDMOELMMQZOCDI-CQSZACIVSA-N 0 0 377.444 3.324 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCCC[C@@H]3CCCCO3)CC2)cc1 ZINC000186594542 1431463187 /nfs/dbraw/zinc/46/31/87/1431463187.db2.gz VYZBBSZHCNAVEH-FQEVSTJZSA-N 0 0 375.513 3.266 20 10 GGCDRN COc1ccc(N2CCCN(C(=O)NCCC[C@H]3CCCCO3)CC2)cc1 ZINC000186594566 1431463351 /nfs/dbraw/zinc/46/33/51/1431463351.db2.gz VYZBBSZHCNAVEH-HXUWFJFHSA-N 0 0 375.513 3.266 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCC[C@@H]1CCCCO1 ZINC000186626806 1431473595 /nfs/dbraw/zinc/47/35/95/1431473595.db2.gz HDWNCGBTWGIBCV-FQEVSTJZSA-N 0 0 375.513 3.014 20 10 GGCDRN Cc1cc(C)n(-c2ccc(NC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2)n1 ZINC000186665051 1431485452 /nfs/dbraw/zinc/48/54/52/1431485452.db2.gz BMJWIIXJVLGLMC-LBPRGKRZSA-N 0 0 381.436 3.048 20 10 GGCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)Oc1ccc2c(c1)NC(=O)CC2 ZINC000186702842 1431496115 /nfs/dbraw/zinc/49/61/15/1431496115.db2.gz RLBUCHMPCBLGHG-XCVCLJGOSA-N 0 0 378.428 3.027 20 10 GGCDRN CC(C)(C)c1cnc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000186971267 1431580117 /nfs/dbraw/zinc/58/01/17/1431580117.db2.gz SQJKPVFTQHTSHS-UHFFFAOYSA-N 0 0 389.471 3.197 20 10 GGCDRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(O)c1O ZINC000187046771 1431599040 /nfs/dbraw/zinc/59/90/40/1431599040.db2.gz FHCJAOITXQTVHL-UHFFFAOYSA-N 0 0 386.411 3.276 20 10 GGCDRN COc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000187076871 1431607530 /nfs/dbraw/zinc/60/75/30/1431607530.db2.gz ATLXKQSRFZZHHS-UHFFFAOYSA-N 0 0 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GGCDRN Cc1nn(CC(F)(F)F)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268871978 1434566427 /nfs/dbraw/zinc/56/64/27/1434566427.db2.gz STYWOWVXNLBPCU-OAHLLOKOSA-N 0 0 397.397 3.281 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)c(C)n1-c1ccccn1 ZINC000269017667 1434582039 /nfs/dbraw/zinc/58/20/39/1434582039.db2.gz IUXWOTFBURZWIS-LJQANCHMSA-N 0 0 376.460 3.315 20 10 GGCDRN COCCC1(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000269090619 1434590734 /nfs/dbraw/zinc/59/07/34/1434590734.db2.gz OOOCLXOXMZDWSA-HZPDHXFCSA-N 0 0 393.503 3.055 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)C2CC2)cc1 ZINC000269091121 1434590839 /nfs/dbraw/zinc/59/08/39/1434590839.db2.gz HESVFQXOKSEGKY-UWJYYQICSA-N 0 0 389.565 3.481 20 10 GGCDRN CC(C)c1ccc(-n2cnnc2SCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000269098106 1434591817 /nfs/dbraw/zinc/59/18/17/1434591817.db2.gz NUNNNKBHEDBYKQ-UHFFFAOYSA-N 0 0 398.488 3.210 20 10 GGCDRN CCOc1cc(CNc2ccc3c(c2)ncn3C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000269506254 1434654879 /nfs/dbraw/zinc/65/48/79/1434654879.db2.gz VXCBXTBHMGGKBE-HNNXBMFYSA-N 0 0 396.491 3.440 20 10 GGCDRN CC(C)Oc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000269791544 1434676003 /nfs/dbraw/zinc/67/60/03/1434676003.db2.gz AGSHEMSYUQGVMI-IBGZPJMESA-N 0 0 399.491 3.465 20 10 GGCDRN CCOCCC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000269831930 1434679587 /nfs/dbraw/zinc/67/95/87/1434679587.db2.gz ACMWLSKYYZYJOO-GOSISDBHSA-N 0 0 376.497 3.290 20 10 GGCDRN Cc1nn(C)c2nc(C)c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc12 ZINC000269872525 1434683147 /nfs/dbraw/zinc/68/31/47/1434683147.db2.gz ZKMWACXFQNGGMT-KRWDZBQOSA-N 0 0 394.475 3.112 20 10 GGCDRN Cc1nn(C)c2nc(C)c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cc12 ZINC000269872530 1434683177 /nfs/dbraw/zinc/68/31/77/1434683177.db2.gz ZKMWACXFQNGGMT-QGZVFWFLSA-N 0 0 394.475 3.112 20 10 GGCDRN Cn1c(=O)oc2c1cccc2NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269881346 1434683848 /nfs/dbraw/zinc/68/38/48/1434683848.db2.gz JHAXHUXQKIUMHI-OAHLLOKOSA-N 0 0 397.431 3.050 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCOC(C)(C)C3)cc2F)C[C@@H](C)O1 ZINC000269955964 1434689805 /nfs/dbraw/zinc/68/98/05/1434689805.db2.gz STEJYVIXBZPACL-BFYDXBDKSA-N 0 0 393.503 3.196 20 10 GGCDRN CCc1n[nH]c(=O)c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1CC ZINC000269986080 1434691829 /nfs/dbraw/zinc/69/18/29/1434691829.db2.gz SIAHKOYETYYYOA-UHFFFAOYSA-N 0 0 399.539 3.081 20 10 GGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000270124052 1434705687 /nfs/dbraw/zinc/70/56/87/1434705687.db2.gz KRDFZCKIANAWML-QGZVFWFLSA-N 0 0 378.476 3.403 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000270234676 1434715405 /nfs/dbraw/zinc/71/54/05/1434715405.db2.gz OGKXLYDHPFPLAZ-RKOGDMNLSA-N 0 0 383.517 3.361 20 10 GGCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000270234672 1434715512 /nfs/dbraw/zinc/71/55/12/1434715512.db2.gz OGKXLYDHPFPLAZ-OQRWROFFSA-N 0 0 383.517 3.361 20 10 GGCDRN CC(C)CSCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000270269610 1434718453 /nfs/dbraw/zinc/71/84/53/1434718453.db2.gz SZKOTQCOHAXEFM-UHFFFAOYSA-N 0 0 379.570 3.084 20 10 GGCDRN COc1cccc(CNC(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000270370635 1434727458 /nfs/dbraw/zinc/72/74/58/1434727458.db2.gz CXSSXRBIOQVSIH-AWEZNQCLSA-N 0 0 378.469 3.054 20 10 GGCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000270449868 1434734203 /nfs/dbraw/zinc/73/42/03/1434734203.db2.gz DRZWLLXCASOQLN-LJQANCHMSA-N 0 0 384.451 3.096 20 10 GGCDRN O=C(NCCc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000270457712 1434735104 /nfs/dbraw/zinc/73/51/04/1434735104.db2.gz FZUINGJDYYNEOZ-IBGZPJMESA-N 0 0 399.447 3.234 20 10 GGCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc([C@H]2CCOC2)c1 ZINC000270483494 1434737750 /nfs/dbraw/zinc/73/77/50/1434737750.db2.gz AHIMZPMRKCWKCG-QFIPXVFZSA-N 0 0 394.515 3.329 20 10 GGCDRN Cc1ccc(C(=O)CCC(=O)CCC(=O)NCCc2ccc(O)c(O)c2)s1 ZINC000270567797 1434745374 /nfs/dbraw/zinc/74/53/74/1434745374.db2.gz XYZVSTNUVNYSGQ-UHFFFAOYSA-N 0 0 389.473 3.139 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000270731061 1434767541 /nfs/dbraw/zinc/76/75/41/1434767541.db2.gz CKPVYPPQCVALPB-UHFFFAOYSA-N 0 0 396.516 3.388 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCC(=O)C[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000270753364 1434770019 /nfs/dbraw/zinc/77/00/19/1434770019.db2.gz VPWNOPGORXWOPQ-ATNYBXOESA-N 0 0 376.472 3.061 20 10 GGCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCC(CCC(N)=O)CC3)c2C)cc1 ZINC000271122221 1434803298 /nfs/dbraw/zinc/80/32/98/1434803298.db2.gz JYPYICNVBKYVBX-UHFFFAOYSA-N 0 0 383.492 3.220 20 10 GGCDRN CC1CCN(c2ccc(CNC(=O)N3CCC(CCC(N)=O)CC3)cc2)CC1 ZINC000271173526 1434806017 /nfs/dbraw/zinc/80/60/17/1434806017.db2.gz KVZAXRDEFXNKEP-UHFFFAOYSA-N 0 0 386.540 3.110 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000271207858 1434808200 /nfs/dbraw/zinc/80/82/00/1434808200.db2.gz KWPXKNPJNRAGIX-UHFFFAOYSA-N 0 0 389.477 3.006 20 10 GGCDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1C ZINC000271242945 1434810571 /nfs/dbraw/zinc/81/05/71/1434810571.db2.gz FNSUMQHKLWDANY-UHFFFAOYSA-N 0 0 378.450 3.119 20 10 GGCDRN Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000271292442 1434813559 /nfs/dbraw/zinc/81/35/59/1434813559.db2.gz QPABYSJTAKXJEV-ZIAGYGMSSA-N 0 0 378.469 3.172 20 10 GGCDRN C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420048 1434823241 /nfs/dbraw/zinc/82/32/41/1434823241.db2.gz BPLSTSPGIPYZQW-ACJLOTCBSA-N 0 0 380.410 3.325 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(C)CCCO)cc2F)C[C@@H](C)O1 ZINC000271480116 1434828365 /nfs/dbraw/zinc/82/83/65/1434828365.db2.gz SGMZJKHMQDIBEG-HZPDHXFCSA-N 0 0 395.519 3.037 20 10 GGCDRN CCc1nn(C)cc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000271610230 1434839075 /nfs/dbraw/zinc/83/90/75/1434839075.db2.gz ZZCKOJJBGUOORI-OKILXGFUSA-N 0 0 389.475 3.057 20 10 GGCDRN COc1cccc(CNc2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c1O ZINC000271672698 1434843180 /nfs/dbraw/zinc/84/31/80/1434843180.db2.gz XJBVICNEOOHZCN-UHFFFAOYSA-N 0 0 393.509 3.215 20 10 GGCDRN CC(C)c1nc2ccc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)cc2s1 ZINC000271736657 1434847095 /nfs/dbraw/zinc/84/70/95/1434847095.db2.gz DDWWXWRSRAZJFV-UHFFFAOYSA-N 0 0 399.472 3.128 20 10 GGCDRN Cc1sc2ncc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)c(=O)n2c1C ZINC000271743559 1434847552 /nfs/dbraw/zinc/84/75/52/1434847552.db2.gz RWUGZZKHHHAJNJ-UHFFFAOYSA-N 0 0 396.516 3.244 20 10 GGCDRN C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000271779703 1434849897 /nfs/dbraw/zinc/84/98/97/1434849897.db2.gz VKWHKLLQGXHZIP-ZODRUTOESA-N 0 0 386.477 3.314 20 10 GGCDRN COc1cc(O)c(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000271822985 1434852776 /nfs/dbraw/zinc/85/27/76/1434852776.db2.gz PLPQZJWBKFJQIJ-CYBMUJFWSA-N 0 0 379.478 3.006 20 10 GGCDRN COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cc(OC)c(OC)cc1O ZINC000271904222 1434858208 /nfs/dbraw/zinc/85/82/08/1434858208.db2.gz ZZVPXNRSVVGSBO-GOSISDBHSA-N 0 0 399.365 3.173 20 10 GGCDRN CC(C)C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000272025530 1434866883 /nfs/dbraw/zinc/86/68/83/1434866883.db2.gz YNBWMZJRTGSOMT-FPOVZHCZSA-N 0 0 389.540 3.258 20 10 GGCDRN O=C1[C@H]2CCCCN2C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272066838 1434869851 /nfs/dbraw/zinc/86/98/51/1434869851.db2.gz CZEUQQUAMATLLF-GOEBONIOSA-N 0 0 379.407 3.074 20 10 GGCDRN CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272355653 1434889973 /nfs/dbraw/zinc/88/99/73/1434889973.db2.gz BHPBYBAXKRKQFJ-CSKARUKUSA-N 0 0 389.473 3.463 20 10 GGCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000272428405 1434895440 /nfs/dbraw/zinc/89/54/40/1434895440.db2.gz JDNXQOOLBNPMHN-CWLKWCNXSA-N 0 0 378.488 3.261 20 10 GGCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 ZINC000272428410 1434895476 /nfs/dbraw/zinc/89/54/76/1434895476.db2.gz JDNXQOOLBNPMHN-JOCBIADPSA-N 0 0 378.488 3.261 20 10 GGCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000272445683 1434896844 /nfs/dbraw/zinc/89/68/44/1434896844.db2.gz MXKDYVXOIUVVKI-SUQGKYDKSA-N 0 0 391.370 3.313 20 10 GGCDRN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272495558 1434900478 /nfs/dbraw/zinc/90/04/78/1434900478.db2.gz SFVMVHYOEOZEEU-HQPKTYMTSA-N 0 0 376.453 3.017 20 10 GGCDRN COCOc1ccc(OC)cc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000272520420 1434903609 /nfs/dbraw/zinc/90/36/09/1434903609.db2.gz KZPRQRPFYRIWPX-UHFFFAOYSA-N 0 0 377.437 3.340 20 10 GGCDRN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272566477 1434908560 /nfs/dbraw/zinc/90/85/60/1434908560.db2.gz CMWUWCNDZIQAGW-QXLXQBSBSA-N 0 0 377.444 3.460 20 10 GGCDRN COc1ccc(/C=C/C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1O ZINC000272598362 1434913160 /nfs/dbraw/zinc/91/31/60/1434913160.db2.gz DQFHGDUCTPWLBU-SXAWMYDMSA-N 0 0 383.444 3.327 20 10 GGCDRN Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000272712012 1434925154 /nfs/dbraw/zinc/92/51/54/1434925154.db2.gz KUEJQYLZNYEIJU-UHFFFAOYSA-N 0 0 379.382 3.054 20 10 GGCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272725264 1434926361 /nfs/dbraw/zinc/92/63/61/1434926361.db2.gz KOAJMNFCMVTBOU-UZLBHIALSA-N 0 0 378.488 3.120 20 10 GGCDRN Cc1ccc(C(=O)N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000272729266 1434926456 /nfs/dbraw/zinc/92/64/56/1434926456.db2.gz GTVCPDIKQXAALA-CYBMUJFWSA-N 0 0 378.469 3.172 20 10 GGCDRN Cc1ccc(C(=O)N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000272729270 1434926562 /nfs/dbraw/zinc/92/65/62/1434926562.db2.gz GTVCPDIKQXAALA-ZDUSSCGKSA-N 0 0 378.469 3.172 20 10 GGCDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272823706 1434933957 /nfs/dbraw/zinc/93/39/57/1434933957.db2.gz DIAIVBNQDWKSDS-ZZQZRYSSSA-N 0 0 388.464 3.111 20 10 GGCDRN CC(C)[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000272833978 1434934636 /nfs/dbraw/zinc/93/46/36/1434934636.db2.gz OPFFXJNNQYHVHO-KKSFZXQISA-N 0 0 392.515 3.244 20 10 GGCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000272833974 1434934725 /nfs/dbraw/zinc/93/47/25/1434934725.db2.gz OPFFXJNNQYHVHO-IIBYNOLFSA-N 0 0 392.515 3.244 20 10 GGCDRN Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1N1CCOC1=O ZINC000272842359 1434935312 /nfs/dbraw/zinc/93/53/12/1434935312.db2.gz OUQITMPMRFUKMC-UHFFFAOYSA-N 0 0 396.447 3.449 20 10 GGCDRN COc1cc(F)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC ZINC000272867011 1434937311 /nfs/dbraw/zinc/93/73/11/1434937311.db2.gz TVZFZQDRLKXUQK-UHFFFAOYSA-N 0 0 375.400 3.340 20 10 GGCDRN Cc1cc(C(=O)N2CCc3c(=O)[nH]cnc3C2)c(C)n1-c1cccc(Cl)c1 ZINC000273086550 1434959219 /nfs/dbraw/zinc/95/92/19/1434959219.db2.gz BOUPEAVIPRDRGI-UHFFFAOYSA-N 0 0 382.851 3.442 20 10 GGCDRN COc1cc(OC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc(OC)c1OC ZINC000273182471 1434969990 /nfs/dbraw/zinc/96/99/90/1434969990.db2.gz XWDLXHFZEXFEMM-RMKNXTFCSA-N 0 0 399.443 3.168 20 10 GGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCO[C@@H](C(C)C)C3)CC2)cc1F ZINC000273191184 1434971068 /nfs/dbraw/zinc/97/10/68/1434971068.db2.gz MXOWSIDGAGKWGK-OXJNMPFZSA-N 0 0 378.488 3.324 20 10 GGCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CCO[C@H](C(C)C)C3)CC2)cc1F ZINC000273191183 1434971091 /nfs/dbraw/zinc/97/10/91/1434971091.db2.gz MXOWSIDGAGKWGK-JXFKEZNVSA-N 0 0 378.488 3.324 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000273194946 1434971243 /nfs/dbraw/zinc/97/12/43/1434971243.db2.gz QJPDQPLCGMMEDO-DOTOQJQBSA-N 0 0 397.475 3.089 20 10 GGCDRN COc1ccc(C(=O)CCC(=O)N(C)Cc2ccccc2O)c(OC)c1OC ZINC000273239489 1434974737 /nfs/dbraw/zinc/97/47/37/1434974737.db2.gz QHPHRBQMUYRGQF-UHFFFAOYSA-N 0 0 387.432 3.040 20 10 GGCDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273296377 1434978901 /nfs/dbraw/zinc/97/89/01/1434978901.db2.gz AAEGOXLWPCZRQV-CYBMUJFWSA-N 0 0 387.411 3.395 20 10 GGCDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273296379 1434978910 /nfs/dbraw/zinc/97/89/10/1434978910.db2.gz AAEGOXLWPCZRQV-ZDUSSCGKSA-N 0 0 387.411 3.395 20 10 GGCDRN C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298361 1434979125 /nfs/dbraw/zinc/97/91/25/1434979125.db2.gz AQGYUPMTINPEAI-CJNGLKHVSA-N 0 0 377.466 3.086 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC000273303101 1434979526 /nfs/dbraw/zinc/97/95/26/1434979526.db2.gz CBSSRJFRBNKKTR-NSHDSACASA-N 0 0 384.354 3.366 20 10 GGCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000273364886 1434983472 /nfs/dbraw/zinc/98/34/72/1434983472.db2.gz DXFXWHMGYHFNLV-ZIAGYGMSSA-N 0 0 399.447 3.370 20 10 GGCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000273364875 1434983492 /nfs/dbraw/zinc/98/34/92/1434983492.db2.gz DXFXWHMGYHFNLV-KBPBESRZSA-N 0 0 399.447 3.370 20 10 GGCDRN C[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273377059 1434984437 /nfs/dbraw/zinc/98/44/37/1434984437.db2.gz HMJOJAFMHCNHTG-VIFPVBQESA-N 0 0 381.314 3.213 20 10 GGCDRN CSCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2ccccn21 ZINC000273392997 1434985753 /nfs/dbraw/zinc/98/57/53/1434985753.db2.gz LCKMSJPIAPIJOB-DOMZBBRYSA-N 0 0 387.465 3.488 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)c1 ZINC000273424191 1434987998 /nfs/dbraw/zinc/98/79/98/1434987998.db2.gz SZSFFEFAGKNMML-LBPRGKRZSA-N 0 0 375.421 3.055 20 10 GGCDRN CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])CC1 ZINC000273432237 1434988384 /nfs/dbraw/zinc/98/83/84/1434988384.db2.gz WAZPWLNZTZUVPS-CQSZACIVSA-N 0 0 376.497 3.257 20 10 GGCDRN C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273433982 1434988403 /nfs/dbraw/zinc/98/84/03/1434988403.db2.gz WORKFLZJIAQHGB-OAHLLOKOSA-N 0 0 398.463 3.054 20 10 GGCDRN CCNC(=O)N1CCc2ccc(N[C@H](C)c3cc(C(=O)OC)ccc3O)cc21 ZINC000273448062 1434989395 /nfs/dbraw/zinc/98/93/95/1434989395.db2.gz OFALVTHDODEJJP-CYBMUJFWSA-N 0 0 383.448 3.444 20 10 GGCDRN COc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1OC ZINC000273469225 1434990694 /nfs/dbraw/zinc/99/06/94/1434990694.db2.gz FJCWSQOGMHSZGQ-GFCCVEGCSA-N 0 0 376.409 3.220 20 10 GGCDRN C[C@@H]1C[C@@H](CCNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCO1 ZINC000273499437 1434992717 /nfs/dbraw/zinc/99/27/17/1434992717.db2.gz NTBCYEVVBNYECQ-AOIWGVFYSA-N 0 0 376.497 3.288 20 10 GGCDRN C[C@@H]1C[C@@H](CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000273499451 1434992793 /nfs/dbraw/zinc/99/27/93/1434992793.db2.gz NTBCYEVVBNYECQ-ZIFCJYIRSA-N 0 0 376.497 3.288 20 10 GGCDRN COc1cc(N2CCN(c3cccc(C(F)(F)F)n3)CC2)cc(OC)c1OC ZINC000273504435 1434992996 /nfs/dbraw/zinc/99/29/96/1434992996.db2.gz SLRCNEHHWJMFFK-UHFFFAOYSA-N 0 0 397.397 3.453 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000273533261 1434995075 /nfs/dbraw/zinc/99/50/75/1434995075.db2.gz WUWYMGUCVFJAIQ-JKSUJKDBSA-N 0 0 383.492 3.450 20 10 GGCDRN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])CC2)oc1C ZINC000273604168 1434999571 /nfs/dbraw/zinc/99/95/71/1434999571.db2.gz SUKXLTJMVPOIMW-AWEZNQCLSA-N 0 0 388.468 3.468 20 10 GGCDRN COc1ccsc1CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000273714329 1435007333 /nfs/dbraw/zinc/00/73/33/1435007333.db2.gz GYNNJRRCWYUMIE-UHFFFAOYSA-N 0 0 378.494 3.105 20 10 GGCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc([C@H]3CCCc4ccccc43)no2)c1 ZINC000273730150 1435008770 /nfs/dbraw/zinc/00/87/70/1435008770.db2.gz MSWQCVKOTUKQII-HNNXBMFYSA-N 0 0 385.445 3.282 20 10 GGCDRN COc1cc(O)c(CNc2ccc(CN3C(=O)CCCC3=O)cc2)cc1OC ZINC000273791482 1435014808 /nfs/dbraw/zinc/01/48/08/1435014808.db2.gz VKBSNDHKPCQWLF-UHFFFAOYSA-N 0 0 384.432 3.061 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3cccc(C)c3F)CC2)cc(OC)c1OC ZINC000273811314 1435017003 /nfs/dbraw/zinc/01/70/03/1435017003.db2.gz DNEDMYSIPWBDSV-UHFFFAOYSA-N 0 0 388.439 3.122 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000273878258 1435024470 /nfs/dbraw/zinc/02/44/70/1435024470.db2.gz QFHZXKMXQDRMHQ-ZBFHGGJFSA-N 0 0 395.883 3.189 20 10 GGCDRN COc1cc(N2CCN(C(=O)Nc3ccsc3)CC2)cc(OC)c1OC ZINC000273966093 1435032834 /nfs/dbraw/zinc/03/28/34/1435032834.db2.gz ZUFOKABWBZUACE-UHFFFAOYSA-N 0 0 377.466 3.128 20 10 GGCDRN Cc1nnc([C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000274257884 1435055365 /nfs/dbraw/zinc/05/53/65/1435055365.db2.gz UPWFTFRYYKQPJQ-IUODEOHRSA-N 0 0 376.482 3.004 20 10 GGCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cn2c(n1)SCC2 ZINC000274335650 1435062933 /nfs/dbraw/zinc/06/29/33/1435062933.db2.gz HAYUEPFNIYVZHP-UHFFFAOYSA-N 0 0 387.553 3.218 20 10 GGCDRN CC(C)(C)c1nnc2ccc(NCc3ccc(N4CCC(CO)CC4)cc3)nn21 ZINC000274633931 1435082180 /nfs/dbraw/zinc/08/21/80/1435082180.db2.gz CTFSPUUZFAVECH-UHFFFAOYSA-N 0 0 394.523 3.243 20 10 GGCDRN CC(C)(C)c1nnc2ccc(NCc3ccc(N4CCC(O)CC4)c(F)c3)nn21 ZINC000274655400 1435083371 /nfs/dbraw/zinc/08/33/71/1435083371.db2.gz HWSDOMYZFCAOAT-UHFFFAOYSA-N 0 0 398.486 3.134 20 10 GGCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CCCCS1(=O)=O ZINC000274841102 1435097154 /nfs/dbraw/zinc/09/71/54/1435097154.db2.gz UDKSYNWSMZXJGY-OXQOHEQNSA-N 0 0 387.501 3.449 20 10 GGCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000274841095 1435097243 /nfs/dbraw/zinc/09/72/43/1435097243.db2.gz UDKSYNWSMZXJGY-JXFKEZNVSA-N 0 0 387.501 3.449 20 10 GGCDRN COc1ccc(SCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000274891939 1435101306 /nfs/dbraw/zinc/10/13/06/1435101306.db2.gz DAWSACWVQDBRFD-ZDUSSCGKSA-N 0 0 391.489 3.345 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000274913671 1435103106 /nfs/dbraw/zinc/10/31/06/1435103106.db2.gz JOEZSEVRASOMMV-NSHDSACASA-N 0 0 391.855 3.206 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1COC1CCOCC1 ZINC000274917191 1435103445 /nfs/dbraw/zinc/10/34/45/1435103445.db2.gz KNLCOJISWGVPHT-OAHLLOKOSA-N 0 0 385.460 3.154 20 10 GGCDRN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)cc1 ZINC000274925376 1435103768 /nfs/dbraw/zinc/10/37/68/1435103768.db2.gz BVPQCGLRQACQNA-HNNXBMFYSA-N 0 0 383.448 3.080 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)CCC(=O)c1cccs1 ZINC000274942687 1435104946 /nfs/dbraw/zinc/10/49/46/1435104946.db2.gz PXURDCBLJKZFSQ-CYBMUJFWSA-N 0 0 389.473 3.219 20 10 GGCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1[O-] ZINC000274988851 1435107837 /nfs/dbraw/zinc/10/78/37/1435107837.db2.gz YSGFPTWHKGFDOP-UHFFFAOYSA-N 0 0 391.859 3.261 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)c2cn(C)nc2-c2cnn(CC)c2)cc1 ZINC000275016412 1435109924 /nfs/dbraw/zinc/10/99/24/1435109924.db2.gz OKIHMHHJMFGQBD-UHFFFAOYSA-N 0 0 380.496 3.080 20 10 GGCDRN COC(=O)C1(CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000275060441 1435113557 /nfs/dbraw/zinc/11/35/57/1435113557.db2.gz XRRBXDWDXNSASB-WCWDXBQESA-N 0 0 380.404 3.110 20 10 GGCDRN COC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccc(OC)c(Cl)c1 ZINC000275097767 1435115933 /nfs/dbraw/zinc/11/59/33/1435115933.db2.gz BDBBENOAZSPIIT-SFHVURJKSA-N 0 0 395.839 3.075 20 10 GGCDRN Nc1ccc2c(c1)CCC[C@H]2NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000275133871 1435118284 /nfs/dbraw/zinc/11/82/84/1435118284.db2.gz NGYDSABTJUQPQV-NOUTYMABSA-N 0 0 377.488 3.312 20 10 GGCDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1C ZINC000275268293 1435127303 /nfs/dbraw/zinc/12/73/03/1435127303.db2.gz JAHYHXRTPYWOJK-UNMCSNQZSA-N 0 0 396.535 3.455 20 10 GGCDRN Cc1cnc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000275387753 1435135833 /nfs/dbraw/zinc/13/58/33/1435135833.db2.gz CFQQOURSDGINRL-UHFFFAOYSA-N 0 0 398.488 3.278 20 10 GGCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)[C@H](C)C3(C)C)CC2)cc1F ZINC000275390393 1435136042 /nfs/dbraw/zinc/13/60/42/1435136042.db2.gz AUVQUSSNNAXEJG-HOCLYGCPSA-N 0 0 376.472 3.124 20 10 GGCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)[C@H](C)C3(C)C)CC2)cc1F ZINC000275390388 1435136111 /nfs/dbraw/zinc/13/61/11/1435136111.db2.gz AUVQUSSNNAXEJG-GOEBONIOSA-N 0 0 376.472 3.124 20 10 GGCDRN CCOc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCOCC4)cc3)c21 ZINC000275396664 1435136449 /nfs/dbraw/zinc/13/64/49/1435136449.db2.gz HSQBOCWRRBKJKH-UHFFFAOYSA-N 0 0 393.487 3.262 20 10 GGCDRN C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000275487838 1435142992 /nfs/dbraw/zinc/14/29/92/1435142992.db2.gz OTSJZCPKQZVMNZ-UEMQUKQSSA-N 0 0 393.447 3.168 20 10 GGCDRN Cc1csc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000275501293 1435143965 /nfs/dbraw/zinc/14/39/65/1435143965.db2.gz SOZLVNLEPWQXRN-UHFFFAOYSA-N 0 0 398.488 3.278 20 10 GGCDRN CCc1nnc([C@H]2CN(C(=O)c3cc(C)n(-c4ccccc4)c3C)CCO2)o1 ZINC000275589733 1435150926 /nfs/dbraw/zinc/15/09/26/1435150926.db2.gz JMPPWTPCYKTMJE-GOSISDBHSA-N 0 0 380.448 3.253 20 10 GGCDRN CCc1nnc([C@@H]2CN(C(=O)c3cc(C)n(-c4ccccc4)c3C)CCO2)o1 ZINC000275589737 1435150979 /nfs/dbraw/zinc/15/09/79/1435150979.db2.gz JMPPWTPCYKTMJE-SFHVURJKSA-N 0 0 380.448 3.253 20 10 GGCDRN CC(=O)c1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000275651078 1435156587 /nfs/dbraw/zinc/15/65/87/1435156587.db2.gz DSAORKMNOIVZPY-UHFFFAOYSA-N 0 0 381.476 3.331 20 10 GGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000275685210 1435159528 /nfs/dbraw/zinc/15/95/28/1435159528.db2.gz IQJACAPFIIGWON-OAHLLOKOSA-N 0 0 397.475 3.020 20 10 GGCDRN CC(C)Cn1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000275741262 1435164550 /nfs/dbraw/zinc/16/45/50/1435164550.db2.gz BYUOHUFICUWWOT-UHFFFAOYSA-N 0 0 383.496 3.283 20 10 GGCDRN C[C@H]1C(=O)CC[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1(C)C ZINC000275757148 1435166045 /nfs/dbraw/zinc/16/60/45/1435166045.db2.gz KABOOGQTQUWZKL-WMLDXEAASA-N 0 0 390.499 3.044 20 10 GGCDRN COC(=O)c1ccc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cc1 ZINC000275783809 1435168989 /nfs/dbraw/zinc/16/89/89/1435168989.db2.gz IRVMQHFDOSNGEL-UHFFFAOYSA-N 0 0 395.459 3.217 20 10 GGCDRN Cc1cc(C(=O)N2CC[C@@H](N(C)Cc3ncccn3)C2)c(C)n1-c1ccccc1 ZINC000275875718 1435176428 /nfs/dbraw/zinc/17/64/28/1435176428.db2.gz GSBBFVJOQFHOMN-HXUWFJFHSA-N 0 0 389.503 3.231 20 10 GGCDRN COC(=O)c1ccccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275884881 1435177211 /nfs/dbraw/zinc/17/72/11/1435177211.db2.gz QPTOATXQXHBULV-UHFFFAOYSA-N 0 0 395.459 3.217 20 10 GGCDRN CC(C)(C)n1nccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275908316 1435178984 /nfs/dbraw/zinc/17/89/84/1435178984.db2.gz VPKBYKIWXLZPGU-UHFFFAOYSA-N 0 0 383.496 3.382 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000275936349 1435180830 /nfs/dbraw/zinc/18/08/30/1435180830.db2.gz AMIDSJDMNDZPRI-CQSZACIVSA-N 0 0 398.459 3.105 20 10 GGCDRN C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000276068526 1435189036 /nfs/dbraw/zinc/18/90/36/1435189036.db2.gz LIBNVMSEERAXRH-VXDYEZPPSA-N 0 0 396.447 3.039 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000276252736 1435200243 /nfs/dbraw/zinc/20/02/43/1435200243.db2.gz ZHONEGDPKDSQNF-AWEZNQCLSA-N 0 0 398.459 3.105 20 10 GGCDRN CC(=O)N1CCN(c2ccc(CNc3nc(C(F)(F)F)cs3)cc2)CC1 ZINC000276264911 1435201035 /nfs/dbraw/zinc/20/10/35/1435201035.db2.gz GEFCFZDCSZBNFX-UHFFFAOYSA-N 0 0 384.427 3.443 20 10 GGCDRN COCCc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000276415492 1435210372 /nfs/dbraw/zinc/21/03/72/1435210372.db2.gz LZUMFJXGUWVXMC-UHFFFAOYSA-N 0 0 395.503 3.071 20 10 GGCDRN CSc1nnc(CCCNC(=O)c2c(F)ccc(O)c2O)n1C1CCCC1 ZINC000276487961 1435213998 /nfs/dbraw/zinc/21/39/98/1435213998.db2.gz FXTYLUFQBYJBJE-UHFFFAOYSA-N 0 0 394.472 3.028 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000276607214 1435220216 /nfs/dbraw/zinc/22/02/16/1435220216.db2.gz ZKANSYYHSVBYQE-AWEZNQCLSA-N 0 0 383.448 3.367 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000276887370 1435240411 /nfs/dbraw/zinc/24/04/11/1435240411.db2.gz NOHRRQXEQIWXPH-PMPSAXMXSA-N 0 0 399.491 3.464 20 10 GGCDRN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276898708 1435241205 /nfs/dbraw/zinc/24/12/05/1435241205.db2.gz PGQIJUAGYZVWND-KBPBESRZSA-N 0 0 386.448 3.202 20 10 GGCDRN Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C(=O)N1CCCC1 ZINC000276912052 1435242215 /nfs/dbraw/zinc/24/22/15/1435242215.db2.gz RIUMGXUZNOREEW-HNNXBMFYSA-N 0 0 397.475 3.395 20 10 GGCDRN CCOC(=O)c1csc([C@@H]2CCCN2Cc2cc3c(cc2O)OCO3)n1 ZINC000276929117 1435244022 /nfs/dbraw/zinc/24/40/22/1435244022.db2.gz YZPPRXYEEMHWKZ-ZDUSSCGKSA-N 0 0 376.434 3.091 20 10 GGCDRN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000276986426 1435249932 /nfs/dbraw/zinc/24/99/32/1435249932.db2.gz MMSPETFAUVDFHT-UHFFFAOYSA-N 0 0 393.491 3.313 20 10 GGCDRN Cc1noc(C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)c2ccccc2)n1 ZINC000277068276 1435258655 /nfs/dbraw/zinc/25/86/55/1435258655.db2.gz SAZCGEHWMLAHRP-SFHVURJKSA-N 0 0 397.454 3.366 20 10 GGCDRN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000277113063 1435263311 /nfs/dbraw/zinc/26/33/11/1435263311.db2.gz RTBMZKXFBBUFTR-XKQHDHNFSA-N 0 0 383.496 3.045 20 10 GGCDRN COc1ccc(OC)c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000277140962 1435267546 /nfs/dbraw/zinc/26/75/46/1435267546.db2.gz AICCMEKLLXPVEZ-UHFFFAOYSA-N 0 0 390.823 3.027 20 10 GGCDRN COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000277167819 1435272561 /nfs/dbraw/zinc/27/25/61/1435272561.db2.gz BPVBTIHFGFQTBY-OAQYLSRUSA-N 0 0 380.488 3.220 20 10 GGCDRN Cc1noc(C)c1C[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277180861 1435274598 /nfs/dbraw/zinc/27/45/98/1435274598.db2.gz CLZWVTHPYZOSAO-SNVBAGLBSA-N 0 0 377.828 3.046 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@H]1c1ccccc1 ZINC000277238107 1435283424 /nfs/dbraw/zinc/28/34/24/1435283424.db2.gz NURZRAHRQWKQGK-APWZRJJASA-N 0 0 386.835 3.340 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000277239100 1435283466 /nfs/dbraw/zinc/28/34/66/1435283466.db2.gz HETIMFRWWVSASW-UHFFFAOYSA-N 0 0 382.489 3.247 20 10 GGCDRN C[C@H]1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1C1CC1 ZINC000277282149 1435289255 /nfs/dbraw/zinc/28/92/55/1435289255.db2.gz SYQBRDLJWNDAFO-SWLSCSKDSA-N 0 0 379.407 3.072 20 10 GGCDRN C[C@H]1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1C1CC1 ZINC000277282154 1435289292 /nfs/dbraw/zinc/28/92/92/1435289292.db2.gz SYQBRDLJWNDAFO-WFASDCNBSA-N 0 0 379.407 3.072 20 10 GGCDRN O=C(NCCOCC(F)(F)C(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000277293645 1435290557 /nfs/dbraw/zinc/29/05/57/1435290557.db2.gz BRCZAXHUMDFWBC-UHFFFAOYSA-N 0 0 377.382 3.003 20 10 GGCDRN CC(C)(C)[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277310620 1435292322 /nfs/dbraw/zinc/29/23/22/1435292322.db2.gz SNBZZEUMRZJLAX-GOEBONIOSA-N 0 0 380.872 3.404 20 10 GGCDRN CC(C)(C)[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277310617 1435292478 /nfs/dbraw/zinc/29/24/78/1435292478.db2.gz SNBZZEUMRZJLAX-GDBMZVCRSA-N 0 0 380.872 3.404 20 10 GGCDRN c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCSCC3)ncn2)CC1 ZINC000277412030 1435302932 /nfs/dbraw/zinc/30/29/32/1435302932.db2.gz KPPBPYZIFCGIBW-UHFFFAOYSA-N 0 0 378.505 3.200 20 10 GGCDRN C[C@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000277435452 1435304656 /nfs/dbraw/zinc/30/46/56/1435304656.db2.gz RZGWHRNFDYJRJI-QGZVFWFLSA-N 0 0 379.460 3.049 20 10 GGCDRN C[C@@H](c1ccccc1)N1CC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000277466698 1435306616 /nfs/dbraw/zinc/30/66/16/1435306616.db2.gz UMXNXDZOMQBQAY-INIZCTEOSA-N 0 0 397.450 3.188 20 10 GGCDRN CCCn1ccnc1CCCN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277473757 1435306894 /nfs/dbraw/zinc/30/68/94/1435306894.db2.gz HISPVGKGYNXVCT-DHZHZOJOSA-N 0 0 396.535 3.234 20 10 GGCDRN C[C@@H]1CN(c2ccc(CN3C(=O)CN(C4CCCC4)C3=O)cc2F)C[C@@H](C)O1 ZINC000277515071 1435309605 /nfs/dbraw/zinc/30/96/05/1435309605.db2.gz XKRIWKWVOIDOMV-HUUCEWRRSA-N 0 0 389.471 3.146 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCOc2c(F)cccc21 ZINC000277566219 1435313353 /nfs/dbraw/zinc/31/33/53/1435313353.db2.gz DRKDDHWIOPOIKH-HNNXBMFYSA-N 0 0 390.798 3.473 20 10 GGCDRN O=C(NC1CC(F)(F)C1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277747982 1435326804 /nfs/dbraw/zinc/32/68/04/1435326804.db2.gz VZPACTOFYFRURG-NSHDSACASA-N 0 0 375.366 3.354 20 10 GGCDRN CCCNc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000277782207 1435329631 /nfs/dbraw/zinc/32/96/31/1435329631.db2.gz RBBDLWNYHRMWHK-UHFFFAOYSA-N 0 0 382.508 3.345 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(c1)CCCC(=O)N2 ZINC000277932705 1435343517 /nfs/dbraw/zinc/34/35/17/1435343517.db2.gz BQTHKWGYGGWUIW-UHFFFAOYSA-N 0 0 399.834 3.289 20 10 GGCDRN CCOc1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cc1OC ZINC000278027579 1435351519 /nfs/dbraw/zinc/35/15/19/1435351519.db2.gz KCMSPKACJDIHDS-UHFFFAOYSA-N 0 0 390.823 3.422 20 10 GGCDRN COc1c([O-])c(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000278140215 1435363692 /nfs/dbraw/zinc/36/36/92/1435363692.db2.gz AXQRCHXEMTZETN-CYBMUJFWSA-N 0 0 383.408 3.083 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000278179796 1435367047 /nfs/dbraw/zinc/36/70/47/1435367047.db2.gz UBFQOPCUHBSMST-QGTPRVQTSA-N 0 0 390.867 3.158 20 10 GGCDRN CCN(CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278207379 1435369613 /nfs/dbraw/zinc/36/96/13/1435369613.db2.gz JSBYOZORIZWYFW-UHFFFAOYSA-N 0 0 395.362 3.048 20 10 GGCDRN COc1cc(SC)ccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000278308073 1435378360 /nfs/dbraw/zinc/37/83/60/1435378360.db2.gz BSPGRCUXJQMOMG-UHFFFAOYSA-N 0 0 399.516 3.272 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278329378 1435380564 /nfs/dbraw/zinc/38/05/64/1435380564.db2.gz UXRPUEJKZHHJAV-JSGCOSHPSA-N 0 0 395.456 3.187 20 10 GGCDRN CCOC1CC(O)(CNC(=O)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000278352249 1435382761 /nfs/dbraw/zinc/38/27/61/1435382761.db2.gz QKYBIOQFIILFHV-OCOZRVBESA-N 0 0 396.447 3.087 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000278390120 1435386636 /nfs/dbraw/zinc/38/66/36/1435386636.db2.gz MSVJHGJKFRZNRS-UHFFFAOYSA-N 0 0 394.519 3.139 20 10 GGCDRN COc1c(O)c(CN2CCC(O)(c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278395414 1435387135 /nfs/dbraw/zinc/38/71/35/1435387135.db2.gz NGRONTVVHCWALI-UHFFFAOYSA-N 0 0 394.374 3.071 20 10 GGCDRN COCCCOc1cc(C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278469988 1435393571 /nfs/dbraw/zinc/39/35/71/1435393571.db2.gz GZUZGPFXAOBKAX-UHFFFAOYSA-N 0 0 390.436 3.323 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(NC(=O)NC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278505825 1435395768 /nfs/dbraw/zinc/39/57/68/1435395768.db2.gz OWZASUAJAQNNBE-UHFFFAOYSA-N 0 0 388.424 3.129 20 10 GGCDRN COc1cc(N(C)Cc2nc(Cc3cccc(F)c3)no2)cc(OC)c1OC ZINC000278517423 1435396748 /nfs/dbraw/zinc/39/67/48/1435396748.db2.gz NZBOVBRJDRBHAR-UHFFFAOYSA-N 0 0 387.411 3.462 20 10 GGCDRN COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278525612 1435397103 /nfs/dbraw/zinc/39/71/03/1435397103.db2.gz TUKCZBSCCJRAHT-KZULUSFZSA-N 0 0 376.409 3.183 20 10 GGCDRN COc1c(O)c(CNc2cccc(CN3CCCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278563449 1435400200 /nfs/dbraw/zinc/40/02/00/1435400200.db2.gz BPVSHMSMUGOQBK-UHFFFAOYSA-N 0 0 385.420 3.434 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000278637473 1435408545 /nfs/dbraw/zinc/40/85/45/1435408545.db2.gz HNOLMTBQOIBGJQ-ZDUSSCGKSA-N 0 0 385.420 3.287 20 10 GGCDRN COc1cc(SC)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000278637189 1435408583 /nfs/dbraw/zinc/40/85/83/1435408583.db2.gz YNURYXSRVSMMRU-UHFFFAOYSA-N 0 0 387.505 3.080 20 10 GGCDRN O=S1(=O)CC[C@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)C1 ZINC000278685801 1435414096 /nfs/dbraw/zinc/41/40/96/1435414096.db2.gz MEYRNSHPRXEZOF-WBVHZDCISA-N 0 0 392.546 3.256 20 10 GGCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(Oc2ncccc2F)CC1 ZINC000278723233 1435417188 /nfs/dbraw/zinc/41/71/88/1435417188.db2.gz RKCVPJSRCXFMHL-UHFFFAOYSA-N 0 0 396.466 3.350 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC ZINC000278725677 1435417568 /nfs/dbraw/zinc/41/75/68/1435417568.db2.gz XXWPXOOECLWHJK-MRXNPFEDSA-N 0 0 380.485 3.061 20 10 GGCDRN COC(=O)CCC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000278807110 1435425401 /nfs/dbraw/zinc/42/54/01/1435425401.db2.gz YOGCVLQMTZJBNN-KRWDZBQOSA-N 0 0 388.489 3.344 20 10 GGCDRN COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)ccc1N1CCCC1=O ZINC000278840270 1435429935 /nfs/dbraw/zinc/42/99/35/1435429935.db2.gz JQOGCCCKRDAZPX-UHFFFAOYSA-N 0 0 387.392 3.057 20 10 GGCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] ZINC000278855045 1435431577 /nfs/dbraw/zinc/43/15/77/1435431577.db2.gz LLCIJYVAWMIKAL-UKRRQHHQSA-N 0 0 378.450 3.459 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2nc(-c3cccc(F)c3)no2)cc1 ZINC000278860340 1435432326 /nfs/dbraw/zinc/43/23/26/1435432326.db2.gz BJEUQXBKPVBCMZ-UHFFFAOYSA-N 0 0 383.427 3.283 20 10 GGCDRN CC(C)n1nc(-c2ccco2)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000278867606 1435433317 /nfs/dbraw/zinc/43/33/17/1435433317.db2.gz LVVJVOCSVXILFT-UHFFFAOYSA-N 0 0 395.463 3.045 20 10 GGCDRN COc1c([O-])c(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1[N+](=O)[O-] ZINC000278873379 1435434276 /nfs/dbraw/zinc/43/42/76/1435434276.db2.gz NBEKGXXRRUKLLB-SFHVURJKSA-N 0 0 386.404 3.321 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278884524 1435435083 /nfs/dbraw/zinc/43/50/83/1435435083.db2.gz OMWTVCMAPJGLJJ-UHFFFAOYSA-N 0 0 399.447 3.225 20 10 GGCDRN COc1c(O)c(CNc2cc(CN3CCOCC3)ccc2C)ccc1[N+](=O)[O-] ZINC000278892008 1435436607 /nfs/dbraw/zinc/43/66/07/1435436607.db2.gz PVJAXJNZNLGBKS-UHFFFAOYSA-N 0 0 387.436 3.062 20 10 GGCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C(=O)N1CCCCC1 ZINC000278930111 1435441113 /nfs/dbraw/zinc/44/11/13/1435441113.db2.gz MMZZYKCPVWJRJD-UHFFFAOYSA-N 0 0 397.475 3.397 20 10 GGCDRN COc1c([O-])c(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000278931260 1435441538 /nfs/dbraw/zinc/44/15/38/1435441538.db2.gz WKVSHDFBCPAAOF-UHFFFAOYSA-N 0 0 386.452 3.230 20 10 GGCDRN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000279019680 1435452676 /nfs/dbraw/zinc/45/26/76/1435452676.db2.gz VQXZDELJDGTQNU-NSHDSACASA-N 0 0 386.443 3.195 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)C2CC2)cc1 ZINC000279055059 1435456047 /nfs/dbraw/zinc/45/60/47/1435456047.db2.gz KYXMNLGRSHAKDB-UHFFFAOYSA-N 0 0 398.532 3.218 20 10 GGCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccnn2CC(F)F)cc1 ZINC000279292899 1435482799 /nfs/dbraw/zinc/48/27/99/1435482799.db2.gz UQJCJHOFKPUWLF-QGZVFWFLSA-N 0 0 392.450 3.036 20 10 GGCDRN COC[C@H](NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCO1 ZINC000279566151 1435513659 /nfs/dbraw/zinc/51/36/59/1435513659.db2.gz VPFNNRDZTCGAOP-RDFYUKQNSA-N 0 0 396.447 3.351 20 10 GGCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCS1 ZINC000279634833 1435521807 /nfs/dbraw/zinc/52/18/07/1435521807.db2.gz YYPMBWHNAOVPSJ-UHFFFAOYSA-N 0 0 395.544 3.214 20 10 GGCDRN COc1c([O-])c(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000279771196 1435540639 /nfs/dbraw/zinc/54/06/39/1435540639.db2.gz KGPJJPNQEFFWRJ-UHFFFAOYSA-N 0 0 386.448 3.187 20 10 GGCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000279825805 1435547660 /nfs/dbraw/zinc/54/76/60/1435547660.db2.gz GKSOCNQWHAWATM-KBPBESRZSA-N 0 0 398.425 3.164 20 10 GGCDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000279957280 1435569419 /nfs/dbraw/zinc/56/94/19/1435569419.db2.gz HZHLKXDPSPRCTR-UHFFFAOYSA-N 0 0 398.463 3.388 20 10 GGCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCc3ccccc3N)cc2F)C[C@@H](C)O1 ZINC000280030431 1435579961 /nfs/dbraw/zinc/57/99/61/1435579961.db2.gz YAUPMXDECFMARL-HZPDHXFCSA-N 0 0 385.483 3.271 20 10 GGCDRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000280033434 1435580061 /nfs/dbraw/zinc/58/00/61/1435580061.db2.gz OQFLZHJQWBAKHR-FNORWQNLSA-N 0 0 388.464 3.185 20 10 GGCDRN COc1ccc(F)c2[nH]c(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc21 ZINC000280036626 1435580878 /nfs/dbraw/zinc/58/08/78/1435580878.db2.gz UZZZHFVPKVBHFW-UHFFFAOYSA-N 0 0 397.450 3.424 20 10 GGCDRN Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000280041959 1435581576 /nfs/dbraw/zinc/58/15/76/1435581576.db2.gz VJTJYIRJISSYNF-UHFFFAOYSA-N 0 0 380.467 3.446 20 10 GGCDRN O=S1(=O)CC[C@@H](CN(C/C=C/c2ccccc2)c2ccc3c(c2)OCCO3)C1 ZINC000280044395 1435582167 /nfs/dbraw/zinc/58/21/67/1435582167.db2.gz OHVCNRJRHUFFKK-QTWIXLPOSA-N 0 0 399.512 3.412 20 10 GGCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000280046494 1435582511 /nfs/dbraw/zinc/58/25/11/1435582511.db2.gz XDADNEZAXHMNQF-IVSAIRAKSA-N 0 0 376.472 3.061 20 10 GGCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc4oc(C)nc43)c2)CC1 ZINC000280067658 1435586180 /nfs/dbraw/zinc/58/61/80/1435586180.db2.gz QDOPJYGNEHLETL-UHFFFAOYSA-N 0 0 378.432 3.057 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1 ZINC000280074153 1435587606 /nfs/dbraw/zinc/58/76/06/1435587606.db2.gz HXCMFNHKPSJLFH-KRWDZBQOSA-N 0 0 385.512 3.482 20 10 GGCDRN Cc1ccc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)c(C)c1 ZINC000280094441 1435591068 /nfs/dbraw/zinc/59/10/68/1435591068.db2.gz QYKZOOXRRJJNEV-OAHLLOKOSA-N 0 0 388.489 3.010 20 10 GGCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1ccc2c(n1)CCCC2 ZINC000280138104 1435598199 /nfs/dbraw/zinc/59/81/99/1435598199.db2.gz PLLUGOUTYYTTOC-UHFFFAOYSA-N 0 0 385.851 3.284 20 10 GGCDRN CC(=O)c1cc(F)cc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280316564 1435634344 /nfs/dbraw/zinc/63/43/44/1435634344.db2.gz GTFVEQIRWDNVSY-HNNXBMFYSA-N 0 0 387.329 3.456 20 10 GGCDRN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000280437619 1435661153 /nfs/dbraw/zinc/66/11/53/1435661153.db2.gz ARKAJAIHNZWALM-UHFFFAOYSA-N 0 0 385.508 3.094 20 10 GGCDRN CC(C)Oc1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1C(N)=O ZINC000280493715 1435669169 /nfs/dbraw/zinc/66/91/69/1435669169.db2.gz LQBISQWKELFOFE-UHFFFAOYSA-N 0 0 396.491 3.495 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCc1ccccc1C(N)=O ZINC000280554073 1435678683 /nfs/dbraw/zinc/67/86/83/1435678683.db2.gz AXVJKZUHQPVSSF-UHFFFAOYSA-N 0 0 379.504 3.367 20 10 GGCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000280651443 1435697801 /nfs/dbraw/zinc/69/78/01/1435697801.db2.gz ACIKTZGTBZUJED-JXFKEZNVSA-N 0 0 384.480 3.033 20 10 GGCDRN CCOC(=O)N(C)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280682872 1435703128 /nfs/dbraw/zinc/70/31/28/1435703128.db2.gz YXCQYBVEDRTBAJ-CYBMUJFWSA-N 0 0 387.436 3.443 20 10 GGCDRN Cc1ccc(NC(=O)c2cccc(O)c2O)cc1NC(=O)CN1CCCCC1 ZINC000280744430 1435713286 /nfs/dbraw/zinc/71/32/86/1435713286.db2.gz WRTFUCRRLALLSY-UHFFFAOYSA-N 0 0 383.448 3.083 20 10 GGCDRN CCN(CC)c1ccc(CNC(=O)N(CCCO)Cc2ccccn2)cc1F ZINC000280755664 1435715176 /nfs/dbraw/zinc/71/51/76/1435715176.db2.gz DCODTRDUESTXMG-UHFFFAOYSA-N 0 0 388.487 3.161 20 10 GGCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000280779625 1435718963 /nfs/dbraw/zinc/71/89/63/1435718963.db2.gz AYROYPFJVMLJOH-GFCCVEGCSA-N 0 0 387.436 3.201 20 10 GGCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000280779630 1435719140 /nfs/dbraw/zinc/71/91/40/1435719140.db2.gz AYROYPFJVMLJOH-LBPRGKRZSA-N 0 0 387.436 3.201 20 10 GGCDRN CC1=C(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)SCCO1 ZINC000280793716 1435721499 /nfs/dbraw/zinc/72/14/99/1435721499.db2.gz ORHQIUHNOHPDNF-BETUJISGSA-N 0 0 380.485 3.050 20 10 GGCDRN CC(C)c1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000280886723 1435736346 /nfs/dbraw/zinc/73/63/46/1435736346.db2.gz APGVJDWKSNNLPB-UHFFFAOYSA-N 0 0 381.480 3.344 20 10 GGCDRN CC(C)c1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000280914167 1435741332 /nfs/dbraw/zinc/74/13/32/1435741332.db2.gz CVTRSZXVYDKUAN-UHFFFAOYSA-N 0 0 383.496 3.042 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000281198861 1435794693 /nfs/dbraw/zinc/79/46/93/1435794693.db2.gz NBIPZLOKUJMRBX-XJKSGUPXSA-N 0 0 383.872 3.143 20 10 GGCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)NC(C)C ZINC000281234600 1435800085 /nfs/dbraw/zinc/80/00/85/1435800085.db2.gz DCHXVOBPLUOGJY-AWEZNQCLSA-N 0 0 385.464 3.297 20 10 GGCDRN COc1ccc(N2CCN(C(=O)C(C)(C)c3c(C)noc3C)CC2)cc1F ZINC000281244916 1435800645 /nfs/dbraw/zinc/80/06/45/1435800645.db2.gz DRKUPPSKSGLPLL-UHFFFAOYSA-N 0 0 375.444 3.066 20 10 GGCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCc3cnn(C)c3C2)cc1 ZINC000281384959 1435806624 /nfs/dbraw/zinc/80/66/24/1435806624.db2.gz ZENLOULGFBXNDP-SFHVURJKSA-N 0 0 392.503 3.413 20 10 GGCDRN Cn1c(Cl)cnc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000281613751 1435815753 /nfs/dbraw/zinc/81/57/53/1435815753.db2.gz GWMILKOQZSFITH-UHFFFAOYSA-N 0 0 388.821 3.219 20 10 GGCDRN CCn1ccnc1[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000281983218 1435829588 /nfs/dbraw/zinc/82/95/88/1435829588.db2.gz MSVRWXZPYBMPFE-FQEVSTJZSA-N 0 0 397.523 3.176 20 10 GGCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)[C@@H](C)C1 ZINC000282039882 1435832030 /nfs/dbraw/zinc/83/20/30/1435832030.db2.gz ZUMGMMVXCSNOFA-LISAXSMJSA-N 0 0 393.503 3.148 20 10 GGCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)[C@@H](C)C1 ZINC000282039891 1435832238 /nfs/dbraw/zinc/83/22/38/1435832238.db2.gz ZUMGMMVXCSNOFA-NBOOPKSLSA-N 0 0 393.503 3.148 20 10 GGCDRN Cc1conc1NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282177204 1435837455 /nfs/dbraw/zinc/83/74/55/1435837455.db2.gz QEBRXRDZYRTFHK-GFCCVEGCSA-N 0 0 390.871 3.128 20 10 GGCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccncc2OCC(F)(F)F)cc1 ZINC000282262297 1435840673 /nfs/dbraw/zinc/84/06/73/1435840673.db2.gz PHEZHUMDEFWGSH-UHFFFAOYSA-N 0 0 396.413 3.430 20 10 GGCDRN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000282370420 1435844785 /nfs/dbraw/zinc/84/47/85/1435844785.db2.gz CHXJYVPBGDFEIE-UHFFFAOYSA-N 0 0 396.516 3.329 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000282388445 1435845347 /nfs/dbraw/zinc/84/53/47/1435845347.db2.gz DIQUNWNAAPCPOT-FQEVSTJZSA-N 0 0 395.503 3.468 20 10 GGCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)c1 ZINC000282499605 1435849258 /nfs/dbraw/zinc/84/92/58/1435849258.db2.gz RTTQQJJIWSVZQJ-YOEHRIQHSA-N 0 0 383.448 3.136 20 10 GGCDRN COc1ccc(N2CCN(C(=O)CCc3ncc(C(C)(C)C)o3)CC2)cc1F ZINC000282516197 1435849922 /nfs/dbraw/zinc/84/99/22/1435849922.db2.gz QBGZEEVYGVZEIC-UHFFFAOYSA-N 0 0 389.471 3.401 20 10 GGCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCC1CCOCC1 ZINC000282546524 1435851091 /nfs/dbraw/zinc/85/10/91/1435851091.db2.gz ZZCZBJDSGBJVHP-UHFFFAOYSA-N 0 0 383.872 3.144 20 10 GGCDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000282573434 1435852182 /nfs/dbraw/zinc/85/21/82/1435852182.db2.gz AQUKRDZMIPQDCC-UHFFFAOYSA-N 0 0 399.447 3.102 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000282579804 1435852380 /nfs/dbraw/zinc/85/23/80/1435852380.db2.gz WYIXQMSLRWQCAB-UHFFFAOYSA-N 0 0 391.493 3.182 20 10 GGCDRN Cc1n[nH]c(=O)c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)c1C ZINC000282582799 1435852509 /nfs/dbraw/zinc/85/25/09/1435852509.db2.gz HDSAUKLFWVLELH-LBPRGKRZSA-N 0 0 388.899 3.206 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(OC)c(N2CCNC2=O)c1 ZINC000282609251 1435853519 /nfs/dbraw/zinc/85/35/19/1435853519.db2.gz YSJTTZARLAPHSL-UHFFFAOYSA-N 0 0 397.475 3.373 20 10 GGCDRN CC(C)c1nnc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cn21 ZINC000282618403 1435853901 /nfs/dbraw/zinc/85/39/01/1435853901.db2.gz FHEQIFIFALEDTK-UHFFFAOYSA-N 0 0 394.479 3.011 20 10 GGCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(N3C(=O)CCNC3=O)c2C)c1 ZINC000282747901 1435858796 /nfs/dbraw/zinc/85/87/96/1435858796.db2.gz NNXJCJZQXRSWJL-CYBMUJFWSA-N 0 0 397.431 3.107 20 10 GGCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000282992245 1435869284 /nfs/dbraw/zinc/86/92/84/1435869284.db2.gz GFFANGHGUITSGY-UHFFFAOYSA-N 0 0 392.406 3.184 20 10 GGCDRN Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1cccs1 ZINC000283012954 1435870400 /nfs/dbraw/zinc/87/04/00/1435870400.db2.gz OAYRSMNJUFNHBY-UHFFFAOYSA-N 0 0 383.521 3.169 20 10 GGCDRN COCCN(C[C@@H]1CCN(C(=O)c2ccccc2)C1)c1ccc(OC)c(OC)c1 ZINC000283098858 1435874422 /nfs/dbraw/zinc/87/44/22/1435874422.db2.gz LRDXKEXVHNQMRE-SFHVURJKSA-N 0 0 398.503 3.319 20 10 GGCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ncnn1C(C)(C)C ZINC000283126524 1435875741 /nfs/dbraw/zinc/87/57/41/1435875741.db2.gz KNDPGKJDGYUYOK-UHFFFAOYSA-N 0 0 384.528 3.365 20 10 GGCDRN COCCO[C@H](C)c1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000283148942 1435876778 /nfs/dbraw/zinc/87/67/78/1435876778.db2.gz LVQZAKQHRLVJMZ-QGZVFWFLSA-N 0 0 387.528 3.166 20 10 GGCDRN O=C(N[C@H]1CCCC12CCOCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283226363 1435880170 /nfs/dbraw/zinc/88/01/70/1435880170.db2.gz RIRFNURGUWKJEB-ICSRJNTNSA-N 0 0 388.508 3.432 20 10 GGCDRN CC(C)Oc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000283361154 1435886090 /nfs/dbraw/zinc/88/60/90/1435886090.db2.gz FFTSPTFRZGKHLZ-MRXNPFEDSA-N 0 0 383.492 3.033 20 10 GGCDRN COc1cnc2ccccc2c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000283452883 1435890514 /nfs/dbraw/zinc/89/05/14/1435890514.db2.gz KZNWWDXGFUICJT-UHFFFAOYSA-N 0 0 391.471 3.352 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000283462524 1435890947 /nfs/dbraw/zinc/89/09/47/1435890947.db2.gz APVBWGSXWVKSLD-UHFFFAOYSA-N 0 0 380.448 3.046 20 10 GGCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc2ccccc2s1 ZINC000283536380 1435894394 /nfs/dbraw/zinc/89/43/94/1435894394.db2.gz RMNRRUWEBLLQTG-UHFFFAOYSA-N 0 0 383.473 3.057 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1c(F)cccc1Cl ZINC000283542911 1435894715 /nfs/dbraw/zinc/89/47/15/1435894715.db2.gz NIRWJLYDSICTML-UHFFFAOYSA-N 0 0 389.858 3.012 20 10 GGCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(F)c(Cl)c1 ZINC000283559423 1435895449 /nfs/dbraw/zinc/89/54/49/1435895449.db2.gz OXDUUUMZKAKSOX-UHFFFAOYSA-N 0 0 389.858 3.012 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000283638772 1435899092 /nfs/dbraw/zinc/89/90/92/1435899092.db2.gz OWSQXZHJYPULKL-UHFFFAOYSA-N 0 0 381.476 3.105 20 10 GGCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCc2cc(F)ccc21 ZINC000283648515 1435899396 /nfs/dbraw/zinc/89/93/96/1435899396.db2.gz DAMISKODIZTIQN-UHFFFAOYSA-N 0 0 387.430 3.198 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccsc1C(=O)OC ZINC000283692568 1435905446 /nfs/dbraw/zinc/90/54/46/1435905446.db2.gz UCXJIQYORIZMME-UHFFFAOYSA-N 0 0 390.461 3.008 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000283699809 1435906557 /nfs/dbraw/zinc/90/65/57/1435906557.db2.gz VDCSQLSQMKHOIB-UHFFFAOYSA-N 0 0 385.420 3.376 20 10 GGCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000283705833 1435908105 /nfs/dbraw/zinc/90/81/05/1435908105.db2.gz VSSRIFZEAGCBRC-UHFFFAOYSA-N 0 0 384.480 3.253 20 10 GGCDRN Cc1ccc2c(c1)nc(CNC(=O)NCc1ccc(N3CC=CC3)cc1)n2C ZINC000283721311 1435910459 /nfs/dbraw/zinc/91/04/59/1435910459.db2.gz VNMHOVOQYUBGFJ-UHFFFAOYSA-N 0 0 375.476 3.257 20 10 GGCDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000283743706 1435914339 /nfs/dbraw/zinc/91/43/39/1435914339.db2.gz BCAWDOUGRXLKLO-OAHLLOKOSA-N 0 0 389.521 3.107 20 10 GGCDRN O=C1CSc2ccc(NCc3cc4c(cc3O)OCO4)cc2N1CC(F)F ZINC000283805930 1435927409 /nfs/dbraw/zinc/92/74/09/1435927409.db2.gz BCEIJPBHPCKGGA-UHFFFAOYSA-N 0 0 394.399 3.437 20 10 GGCDRN COc1cc(N2CCN(C(=O)c3occc3C(C)C)CC2)cc(OC)c1OC ZINC000283811803 1435928547 /nfs/dbraw/zinc/92/85/47/1435928547.db2.gz CHXGQQAMSXANIR-UHFFFAOYSA-N 0 0 388.464 3.391 20 10 GGCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1c(F)cccc1F ZINC000284086553 1435988309 /nfs/dbraw/zinc/98/83/09/1435988309.db2.gz SHLXSTKDYSICLI-AWEZNQCLSA-N 0 0 387.430 3.059 20 10 GGCDRN Cc1cc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)s1 ZINC000284204098 1436003834 /nfs/dbraw/zinc/00/38/34/1436003834.db2.gz YXBJKDABCHDHFU-OAHLLOKOSA-N 0 0 383.517 3.235 20 10 GGCDRN CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000284263124 1436008220 /nfs/dbraw/zinc/00/82/20/1436008220.db2.gz GNNPCNSTEFQMGT-ZIAGYGMSSA-N 0 0 391.489 3.384 20 10 GGCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCCc3occc32)C2CC2)cc1 ZINC000284313788 1436012530 /nfs/dbraw/zinc/01/25/30/1436012530.db2.gz ZLKKBRSQJKOHGG-LJQANCHMSA-N 0 0 381.476 3.030 20 10 GGCDRN Cc1ccc(C[C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000284331922 1436013934 /nfs/dbraw/zinc/01/39/34/1436013934.db2.gz XBZFFXWDKJCCFX-OAHLLOKOSA-N 0 0 385.533 3.020 20 10 GGCDRN C[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cc2c(cc1O)CCCC2 ZINC000284353965 1436015539 /nfs/dbraw/zinc/01/55/39/1436015539.db2.gz MOZCEVCEJFTDRU-CQSZACIVSA-N 0 0 381.476 3.001 20 10 GGCDRN Cc1cc(Br)cc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826256503 1443785220 /nfs/dbraw/zinc/78/52/20/1443785220.db2.gz MKUUDFKPLFHRMN-UHFFFAOYSA-N 0 0 388.269 3.275 20 10 GGCDRN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1 ZINC000820413534 1443875028 /nfs/dbraw/zinc/87/50/28/1443875028.db2.gz RNKNXUUMMWGVBW-HOTGVXAUSA-N 0 0 378.480 3.115 20 10 GGCDRN CN(C)c1ccc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1F ZINC000825878701 1446811355 /nfs/dbraw/zinc/81/13/55/1446811355.db2.gz BWGDECRKJUWOKP-UHFFFAOYSA-N 0 0 396.470 3.115 20 10 GGCDRN Cc1cc(Cl)cc(C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1O ZINC000826267559 1449012128 /nfs/dbraw/zinc/01/21/28/1449012128.db2.gz KTDOFMJEHRMTSM-UHFFFAOYSA-N 0 0 398.898 3.246 20 10 GGCDRN CC[N@H+](Cc1cc(Br)ccc1O)Cc1ccccc1-c1nnn[n-]1 ZINC000821220973 1449311479 /nfs/dbraw/zinc/31/14/79/1449311479.db2.gz HEMRYFLGIUZIQH-UHFFFAOYSA-N 0 0 388.269 3.357 20 10 GGCDRN