smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1OC[C@H](O)CN1CCC(c2nc3ccccc3s2)CC1 ZINC000002631334 817394171 /nfs/dbraw/zinc/39/41/71/817394171.db2.gz GLWSPULZWIRYTR-GOSISDBHSA-N 0 3 382.529 4.224 50 0 GIAAHN CCCN1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000003058530 817416213 /nfs/dbraw/zinc/41/62/13/817416213.db2.gz NGACUQLGCVZQKX-UHFFFAOYSA-N 0 3 383.927 4.199 50 0 GIAAHN COc1ccc([C@@H](CNC(=O)Cc2coc3cc(C)ccc23)N2CCCC2)cc1 ZINC000008230626 818020780 /nfs/dbraw/zinc/02/07/80/818020780.db2.gz OKDFCLGXNIDWLA-JOCHJYFZSA-N 0 3 392.499 4.246 50 0 GIAAHN COc1ccccc1NC(=O)[C@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000011969996 818133457 /nfs/dbraw/zinc/13/34/57/818133457.db2.gz XHOCGICDYBRUCH-LJQANCHMSA-N 0 3 389.499 4.417 50 0 GIAAHN CCc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000012429973 818158578 /nfs/dbraw/zinc/15/85/78/818158578.db2.gz IJSBJCBLOBSJOP-QGZVFWFLSA-N 0 3 378.476 4.083 50 0 GIAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000012448992 818160803 /nfs/dbraw/zinc/16/08/03/818160803.db2.gz NCGOLEPQOSKRJQ-NRFANRHFSA-N 0 3 377.488 4.263 50 0 GIAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc3oc(C)cc3c2)C1 ZINC000012448991 818160949 /nfs/dbraw/zinc/16/09/49/818160949.db2.gz NCGOLEPQOSKRJQ-OAQYLSRUSA-N 0 3 377.488 4.263 50 0 GIAAHN Cc1ncc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)s1 ZINC000012574881 818167489 /nfs/dbraw/zinc/16/74/89/818167489.db2.gz RZCBLTBYTRHTAC-INIZCTEOSA-N 0 3 398.557 4.426 50 0 GIAAHN Cc1ccccc1-c1ccc(CN2CCC(=O)N(Cc3cccnc3)CC2)cc1 ZINC000014986518 818280882 /nfs/dbraw/zinc/28/08/82/818280882.db2.gz WULJOTFJCSARBX-UHFFFAOYSA-N 0 3 385.511 4.292 50 0 GIAAHN Cc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c3ccccc3[nH]c21 ZINC000020610066 818627269 /nfs/dbraw/zinc/62/72/69/818627269.db2.gz JHZKRGSMNZNQSK-UHFFFAOYSA-N 0 3 398.510 4.419 50 0 GIAAHN C/C=C\c1ccc(OC[C@H](O)CN(C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000034702112 821062307 /nfs/dbraw/zinc/06/23/07/821062307.db2.gz BZDGCTZQNFLBHE-SFFCAUCYSA-N 0 3 387.545 4.322 50 0 GIAAHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1O ZINC000042460126 821307346 /nfs/dbraw/zinc/30/73/46/821307346.db2.gz DEQNEUJSKBRLCZ-OAHLLOKOSA-N 0 3 399.441 4.449 50 0 GIAAHN CC(C)NC(=O)c1ccccc1OC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000169765061 823913951 /nfs/dbraw/zinc/91/39/51/823913951.db2.gz MOPOAMXFRDTPKX-IBGZPJMESA-N 0 3 384.495 4.255 50 0 GIAAHN CCN1CCC[C@@H]1CNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004322923 204037869 /nfs/dbraw/zinc/03/78/69/204037869.db2.gz BSCCVUAAVZMDBG-GFCCVEGCSA-N 0 3 382.291 4.171 50 0 GIAAHN Cc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c2ccccc2n1 ZINC000004324562 204038051 /nfs/dbraw/zinc/03/80/51/204038051.db2.gz PUMMSADCQZDQQW-UHFFFAOYSA-N 0 3 382.414 4.176 50 0 GIAAHN CN(C)CCNc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000003534158 204012724 /nfs/dbraw/zinc/01/27/24/204012724.db2.gz QAQQKQFMKXYZNE-UHFFFAOYSA-N 0 3 377.311 4.094 50 0 GIAAHN Brc1ccc(OCc2ccccc2)c(CNC[C@H]2CCCO2)c1 ZINC000004657492 204061296 /nfs/dbraw/zinc/06/12/96/204061296.db2.gz PREAXUKGCQUJBJ-GOSISDBHSA-N 0 3 376.294 4.297 50 0 GIAAHN COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccco3)C[C@H]21 ZINC000005092951 204110973 /nfs/dbraw/zinc/11/09/73/204110973.db2.gz HVXZSAMESAFWIJ-GOSISDBHSA-N 0 3 381.476 4.032 50 0 GIAAHN Cc1cccc(-c2nc3c(c(SCCN4CCCC4)n2)COC(C)(C)C3)c1 ZINC000005206311 204119311 /nfs/dbraw/zinc/11/93/11/204119311.db2.gz FODHKVZOMKSYCV-UHFFFAOYSA-N 0 3 383.561 4.491 50 0 GIAAHN COc1ccc(-c2nc(CN3CCCCC3)cc(C[NH+]3CCCCC3)c2[O-])cc1 ZINC000005003401 204101816 /nfs/dbraw/zinc/10/18/16/204101816.db2.gz WTHYXMFKXKYSMD-UHFFFAOYSA-N 0 3 395.547 4.435 50 0 GIAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCCc1ccccc1 ZINC000007540110 204242497 /nfs/dbraw/zinc/24/24/97/204242497.db2.gz HJJSZRFXWVLZOE-UHFFFAOYSA-N 0 3 391.467 4.335 50 0 GIAAHN O=C(NCc1ccccc1CN1CCCC1)c1ccccc1C(=O)c1ccccc1 ZINC000008011556 204258735 /nfs/dbraw/zinc/25/87/35/204258735.db2.gz HCBACQTWEHFSHM-UHFFFAOYSA-N 0 3 398.506 4.443 50 0 GIAAHN Cc1ccc2oc(C(=O)NCC3(N4CCCCC4)CCCCC3)cc(=O)c2c1 ZINC000008848044 204291604 /nfs/dbraw/zinc/29/16/04/204291604.db2.gz HYRUSQLXYYGKIZ-UHFFFAOYSA-N 0 3 382.504 4.020 50 0 GIAAHN CC[C@H](CO)NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008327039 204271946 /nfs/dbraw/zinc/27/19/46/204271946.db2.gz FIMHXXSESYNGJU-OAHLLOKOSA-N 0 3 384.303 4.442 50 0 GIAAHN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2)n1 ZINC000008427810 204276485 /nfs/dbraw/zinc/27/64/85/204276485.db2.gz WHCZATLACFJLRB-FQEVSTJZSA-N 0 3 394.544 4.118 50 0 GIAAHN O[C@@H](COCc1ccccc1)CN(Cc1ccccc1)Cc1cccc(F)c1 ZINC000036104284 204306150 /nfs/dbraw/zinc/30/61/50/204306150.db2.gz BZCJWBODSLCZIW-XMMPIXPASA-N 0 3 379.475 4.406 50 0 GIAAHN CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)cc1 ZINC000010213834 204331734 /nfs/dbraw/zinc/33/17/34/204331734.db2.gz PFIBBOMZMPRQOC-OAQYLSRUSA-N 0 3 377.488 4.051 50 0 GIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1Br ZINC000010281375 204333046 /nfs/dbraw/zinc/33/30/46/204333046.db2.gz FGQNAJYELJBZBS-UHFFFAOYSA-N 0 3 387.321 4.365 50 0 GIAAHN OCCOCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315457 204333763 /nfs/dbraw/zinc/33/37/63/204333763.db2.gz OPAODRFAPJNPGG-UHFFFAOYSA-N 0 3 393.314 4.095 50 0 GIAAHN OC[C@]1(Cc2ccccc2)CCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011663277 204349233 /nfs/dbraw/zinc/34/92/33/204349233.db2.gz CTRVRMVSZLCKPX-QHCPKHFHSA-N 0 3 379.479 4.033 50 0 GIAAHN CN(C(=O)c1cc2ccccc2n1C)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011820501 204355016 /nfs/dbraw/zinc/35/50/16/204355016.db2.gz BKKSHHHCIVEWNU-JOCHJYFZSA-N 0 3 389.543 4.348 50 0 GIAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCC1CCCCC1 ZINC000011909692 204360823 /nfs/dbraw/zinc/36/08/23/204360823.db2.gz ODSPVGMJEHPEKQ-UHFFFAOYSA-N 0 3 380.532 4.491 50 0 GIAAHN COc1ccccc1[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C(=O)[C@]23CCCN13 ZINC000011932765 204361981 /nfs/dbraw/zinc/36/19/81/204361981.db2.gz VOKQPAYNIOZUTN-NYDSKATKSA-N 0 3 396.918 4.287 50 0 GIAAHN COc1ccccc1CN1CCC2(C[C@H]2C(=O)NCCCc2ccccc2)CC1 ZINC000011964796 204366355 /nfs/dbraw/zinc/36/63/55/204366355.db2.gz IITMOADGMJQHQY-QFIPXVFZSA-N 0 3 392.543 4.046 50 0 GIAAHN CN1CCC[C@H](COc2cccc(CN(C(=O)c3cccc(F)c3)C3CC3)c2)C1 ZINC000012040234 204368593 /nfs/dbraw/zinc/36/85/93/204368593.db2.gz RUJCWKGEXZAHBQ-IBGZPJMESA-N 0 3 396.506 4.351 50 0 GIAAHN Cc1ccc(-n2cc(CN3CCC(CO)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000012075872 204370029 /nfs/dbraw/zinc/37/00/29/204370029.db2.gz BHRQFEKJMCPADU-UHFFFAOYSA-N 0 3 375.516 4.360 50 0 GIAAHN CCn1c(C)c(C(C)=O)c2cc(OC[C@H](O)CN[C@@H](C)c3ccccc3)ccc21 ZINC000012421901 204406455 /nfs/dbraw/zinc/40/64/55/204406455.db2.gz XSSCDLYTAFULIO-OXJNMPFZSA-N 0 3 394.515 4.263 50 0 GIAAHN CCOC(=O)C1(CCOc2ccccc2)CCN([C@H](C)Cc2cccnc2)CC1 ZINC000012304408 204393002 /nfs/dbraw/zinc/39/30/02/204393002.db2.gz DHMZKLLRYASWTB-HXUWFJFHSA-N 0 3 396.531 4.127 50 0 GIAAHN CC(C)NC1(c2nnnn2-c2ccc(C(C)C)cc2)C2CC3CC(C2)CC1C3 ZINC000035170752 204983708 /nfs/dbraw/zinc/98/37/08/204983708.db2.gz MIMHJEXBKWBUDI-UHFFFAOYSA-N 0 3 379.552 4.435 50 0 GIAAHN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000036103988 205005092 /nfs/dbraw/zinc/00/50/92/205005092.db2.gz DHSBIWMHFWWGDH-JOCHJYFZSA-N 0 3 387.495 4.149 50 0 GIAAHN COc1ccc(OC[C@@H](O)CN(CCC(C)C)Cc2ccc(C)s2)cc1 ZINC000036101658 205005357 /nfs/dbraw/zinc/00/53/57/205005357.db2.gz ZPIMSWHJQGUKNP-SFHVURJKSA-N 0 3 377.550 4.353 50 0 GIAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)c1 ZINC000036103938 205005877 /nfs/dbraw/zinc/00/58/77/205005877.db2.gz MYZPFBGCUMVELB-NRFANRHFSA-N 0 3 399.531 4.210 50 0 GIAAHN COc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036102370 205005915 /nfs/dbraw/zinc/00/59/15/205005915.db2.gz ONBBFZJNBORZRO-QHCPKHFHSA-N 0 3 379.475 4.440 50 0 GIAAHN Clc1ccc(-c2cncc(CN3CCC4(CC3)OCCO4)c2)cc1Cl ZINC000037554224 205028137 /nfs/dbraw/zinc/02/81/37/205028137.db2.gz AMAHQCFARGSWSB-UHFFFAOYSA-N 0 3 379.287 4.394 50 0 GIAAHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1c(Cl)cccc1Cl ZINC000040722367 205069997 /nfs/dbraw/zinc/06/99/97/205069997.db2.gz VHEOPFMEPSACDV-AWEZNQCLSA-N 0 3 384.303 4.442 50 0 GIAAHN O=C(c1ccc(-n2cccc2)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000040150152 205058196 /nfs/dbraw/zinc/05/81/96/205058196.db2.gz SAQDVCJBIRRCIR-UHFFFAOYSA-N 0 3 385.511 4.140 50 0 GIAAHN CCOc1cc(CNCCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000040744897 205070345 /nfs/dbraw/zinc/07/03/45/205070345.db2.gz JJLJDESPBBCHFC-UHFFFAOYSA-N 0 3 384.303 4.443 50 0 GIAAHN CN(CCCNC(=O)CCc1ccc(-c2ccccc2)[nH]1)Cc1ccccc1 ZINC000040156775 205060187 /nfs/dbraw/zinc/06/01/87/205060187.db2.gz RZMFIMDWBBJWRN-UHFFFAOYSA-N 0 3 375.516 4.253 50 0 GIAAHN COc1cccc(CNCCN(C)C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040719483 205067908 /nfs/dbraw/zinc/06/79/08/205067908.db2.gz QDDNLMXYWMEODZ-UHFFFAOYSA-N 0 3 383.319 4.232 50 0 GIAAHN COc1cccc(CNC[C@@H]2CCCO2)c1OCc1c(F)cccc1Cl ZINC000040722435 205068327 /nfs/dbraw/zinc/06/83/27/205068327.db2.gz RSIXPDOKAMUQKN-HNNXBMFYSA-N 0 3 379.859 4.335 50 0 GIAAHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040741830 205071047 /nfs/dbraw/zinc/07/10/47/205071047.db2.gz PJTNQWHKQKUPFX-SFHVURJKSA-N 0 3 377.912 4.487 50 0 GIAAHN CCOc1cc(CNCCCO)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000040743815 205071080 /nfs/dbraw/zinc/07/10/80/205071080.db2.gz CWERSSYZEDKJJS-UHFFFAOYSA-N 0 3 384.303 4.443 50 0 GIAAHN CCOc1cc(CNCCCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040743782 205071247 /nfs/dbraw/zinc/07/12/47/205071247.db2.gz WUNPVZLNDMRVPY-UHFFFAOYSA-N 0 3 384.303 4.443 50 0 GIAAHN COc1cc(CNCCO)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040742694 205071260 /nfs/dbraw/zinc/07/12/60/205071260.db2.gz SRFXURSQAKNFFQ-UHFFFAOYSA-N 0 3 390.694 4.316 50 0 GIAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccsc1 ZINC000048326774 205120593 /nfs/dbraw/zinc/12/05/93/205120593.db2.gz QJXPGJHILIROAE-FQEVSTJZSA-N 0 3 384.549 4.147 50 0 GIAAHN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2ccc(C)s2)CC1 ZINC000055153081 205144199 /nfs/dbraw/zinc/14/41/99/205144199.db2.gz FUCUMPXCWYZDLY-UHFFFAOYSA-N 0 3 387.545 4.453 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000056503428 205151925 /nfs/dbraw/zinc/15/19/25/205151925.db2.gz GMAKFSQYJGTEGE-HXUWFJFHSA-N 0 3 399.922 4.127 50 0 GIAAHN CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000067612439 205251278 /nfs/dbraw/zinc/25/12/78/205251278.db2.gz RTGVHEZAENGGBG-UHFFFAOYSA-N 0 3 396.516 4.056 50 0 GIAAHN CN1CCC[C@@H](C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000071375388 205282685 /nfs/dbraw/zinc/28/26/85/205282685.db2.gz LVJQRJOPJBUQCJ-LJQANCHMSA-N 0 3 378.516 4.495 50 0 GIAAHN COc1ccc(CN2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1 ZINC000071758947 205293094 /nfs/dbraw/zinc/29/30/94/205293094.db2.gz JZCQEEHQIVWVLJ-JOCHJYFZSA-N 0 3 384.495 4.093 50 0 GIAAHN CCN(C(=O)Nc1nnc(C2CC2)s1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000072314421 205324182 /nfs/dbraw/zinc/32/41/82/205324182.db2.gz LTADSNRBKKRSIL-WMLDXEAASA-N 0 3 385.537 4.105 50 0 GIAAHN CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1CCN(C)C1 ZINC000072435227 205351786 /nfs/dbraw/zinc/35/17/86/205351786.db2.gz LGRCBRYWLMBKCS-FQEVSTJZSA-N 0 3 376.504 4.015 50 0 GIAAHN Cc1scc(C(=O)NCc2c(C)ncc3c2CCNC3)c1-c1ccccc1 ZINC000077525088 205365762 /nfs/dbraw/zinc/36/57/62/205365762.db2.gz YGNDJYOTJXWAIX-UHFFFAOYSA-N 0 3 377.513 4.003 50 0 GIAAHN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@@H](O)c1ccccc1)CC2 ZINC000229651552 206107311 /nfs/dbraw/zinc/10/73/11/206107311.db2.gz FJFFCYJYGDSGJR-XXBNENTESA-N 0 3 395.524 4.446 50 0 GIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccc(N2CCCC2)cc1 ZINC000299790477 206191206 /nfs/dbraw/zinc/19/12/06/206191206.db2.gz BGUPBUOMJMYPIO-QHCPKHFHSA-N 0 3 377.532 4.244 50 0 GIAAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc(O)c3)=NN12 ZINC000010214150 221098180 /nfs/dbraw/zinc/09/81/80/221098180.db2.gz MOVIVHCQBGNMER-OAQYLSRUSA-N 0 3 377.488 4.138 50 0 GIAAHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)s1 ZINC000012098979 221150355 /nfs/dbraw/zinc/15/03/55/221150355.db2.gz 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O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000019788763 570219021 /nfs/dbraw/zinc/21/90/21/570219021.db2.gz PAKSJPSOPDHVFZ-DEOSSOPVSA-N 0 3 397.453 4.260 50 0 GIAAHN O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019800401 570220601 /nfs/dbraw/zinc/22/06/01/570220601.db2.gz NSAZPKFRITXKLD-UHFFFAOYSA-N 0 3 386.451 4.226 50 0 GIAAHN c1[nH]c2ccccc2c1CCNC1(c2nnnn2C2CCCCC2)CCCC1 ZINC000006062610 570232480 /nfs/dbraw/zinc/23/24/80/570232480.db2.gz FITDOJFOJUKKOO-UHFFFAOYSA-N 0 3 378.524 4.261 50 0 GIAAHN COc1ccccc1N1CCN(C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC000001155013 570249842 /nfs/dbraw/zinc/24/98/42/570249842.db2.gz PRFDASTXGZOLPD-UHFFFAOYSA-N 0 3 399.966 4.135 50 0 GIAAHN O=C(Nc1cc[nH]n1)c1ccc([C@@H]2CCCN2C2Cc3ccccc3C2)s1 ZINC000020858642 570282341 /nfs/dbraw/zinc/28/23/41/570282341.db2.gz CIZUKYSPKNHJRE-KRWDZBQOSA-N 0 3 378.501 4.028 50 0 GIAAHN CCCOc1c(CNC[C@H](O)c2ccccc2)cc(Br)cc1OC ZINC000020934293 570285380 /nfs/dbraw/zinc/28/53/80/570285380.db2.gz 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CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 ZINC000021807485 570297176 /nfs/dbraw/zinc/29/71/76/570297176.db2.gz VIPLAUVPJGGVLK-OAQYLSRUSA-N 0 3 393.487 4.163 50 0 GIAAHN CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 ZINC000021807572 570297210 /nfs/dbraw/zinc/29/72/10/570297210.db2.gz FEPXEFYJSNCPOW-NRFANRHFSA-N 0 3 377.488 4.463 50 0 GIAAHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000022075264 570305354 /nfs/dbraw/zinc/30/53/54/570305354.db2.gz MAVDRGTUKJIOED-OAQYLSRUSA-N 0 3 381.447 4.237 50 0 GIAAHN COc1ccccc1CN1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022913316 570334129 /nfs/dbraw/zinc/33/41/29/570334129.db2.gz AHVXUAHKPLIGIQ-JOCHJYFZSA-N 0 3 399.966 4.135 50 0 GIAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000004921981 570369869 /nfs/dbraw/zinc/36/98/69/570369869.db2.gz GPPTYONANQKWPR-UHFFFAOYSA-N 0 3 395.409 4.142 50 0 GIAAHN CCc1nn2c(nc(CN(Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000035509828 570382556 /nfs/dbraw/zinc/38/25/56/570382556.db2.gz 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50 0 GIAAHN COc1ccc(-n2cc(CN3CCC(OC)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012597049 570689615 /nfs/dbraw/zinc/68/96/15/570689615.db2.gz SQQVQOVLNKJKPI-UHFFFAOYSA-N 0 3 395.478 4.298 50 0 GIAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2sccc2C)cc1 ZINC000012718492 570705380 /nfs/dbraw/zinc/70/53/80/570705380.db2.gz KWTVMBUGQANKQP-UHFFFAOYSA-N 0 3 386.561 4.092 50 0 GIAAHN CCc1ccc([C@H](CNC(=O)CCCc2c[nH]c3ccccc23)N(C)C)cc1 ZINC000012793592 570714835 /nfs/dbraw/zinc/71/48/35/570714835.db2.gz KVXLLMCOPDWISB-QHCPKHFHSA-N 0 3 377.532 4.472 50 0 GIAAHN CCc1nc(C)c(CN2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)[nH]1 ZINC000015065608 570723442 /nfs/dbraw/zinc/72/34/42/570723442.db2.gz GDQBPUDZVCQDCN-KRWDZBQOSA-N 0 3 386.515 4.359 50 0 GIAAHN CC1=C([N+](=O)[O-])C(c2ccc(Br)cc2)C2=C(N1)c1ccccc1C2=O ZINC000000988639 570743918 /nfs/dbraw/zinc/74/39/18/570743918.db2.gz MZWDNPMBMSXJMM-OAHLLOKOSA-N 0 3 397.228 4.252 50 0 GIAAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C)c(C)c3)N3CCC[C@@]23C1=O ZINC000013594828 570761328 /nfs/dbraw/zinc/76/13/28/570761328.db2.gz CFCGEYSSNHFDPN-HWBMXIPRSA-N 0 3 390.527 4.250 50 0 GIAAHN COc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1F ZINC000008470447 570770263 /nfs/dbraw/zinc/77/02/63/570770263.db2.gz XHISXWSQKUVHTO-UHFFFAOYSA-N 0 3 380.257 4.428 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cn(C3CC3)cc2s1 ZINC000065285557 570780988 /nfs/dbraw/zinc/78/09/88/570780988.db2.gz FXNDRTWYDJNFQT-UHFFFAOYSA-N 0 3 379.529 4.432 50 0 GIAAHN CCC[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000101056373 570788787 /nfs/dbraw/zinc/78/87/87/570788787.db2.gz CGVSMVAPPLMWHE-FSSWDIPSSA-N 0 3 386.451 4.318 50 0 GIAAHN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2cccc(F)c2)N1c1ccccc1 ZINC000096834717 570794187 /nfs/dbraw/zinc/79/41/87/570794187.db2.gz VBJIACMVMBJVTM-XMMPIXPASA-N 0 3 397.453 4.260 50 0 GIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc3c(c2)CCO3)cc1 ZINC000032796041 570813941 /nfs/dbraw/zinc/81/39/41/570813941.db2.gz JIQVTYDLQCUHHB-UHFFFAOYSA-N 0 3 386.495 4.280 50 0 GIAAHN COc1ccccc1-c1cccc2cc(C(=O)NC34CCN(CC3)CC4)oc21 ZINC000032816931 570829792 /nfs/dbraw/zinc/82/97/92/570829792.db2.gz FUPRXHXKLJHYRH-UHFFFAOYSA-N 0 3 376.456 4.077 50 0 GIAAHN CSc1ccccc1CN1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000043991144 570852977 /nfs/dbraw/zinc/85/29/77/570852977.db2.gz KOJUUBOOLYEFJM-UHFFFAOYSA-N 0 3 386.536 4.119 50 0 GIAAHN Cc1cccc(C)c1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000102722735 570858658 /nfs/dbraw/zinc/85/86/58/570858658.db2.gz SYBDVGVMJKJPBQ-ACIOBRDBSA-N 0 3 398.462 4.355 50 0 GIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000102734226 570859911 /nfs/dbraw/zinc/85/99/11/570859911.db2.gz QKTVQSXOOWUXFK-HSALFYBXSA-N 0 3 390.464 4.108 50 0 GIAAHN CC(C)[C@@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000032869469 570864442 /nfs/dbraw/zinc/86/44/42/570864442.db2.gz XDSWKBFGYYXMMU-HSZRJFAPSA-N 0 3 394.515 4.181 50 0 GIAAHN CCCn1cc(CN2CCC(CO)(Cc3ccccc3Cl)CC2)c(C)n1 ZINC000014972896 570868121 /nfs/dbraw/zinc/86/81/21/570868121.db2.gz XYCPWTRFZBQWPO-UHFFFAOYSA-N 0 3 375.944 4.072 50 0 GIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cccs1 ZINC000015072351 570878005 /nfs/dbraw/zinc/87/80/05/570878005.db2.gz AKAPWCDFSQZBKW-IBGZPJMESA-N 0 3 386.561 4.174 50 0 GIAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000012601635 570887174 /nfs/dbraw/zinc/88/71/74/570887174.db2.gz JSEVRGIDKBLNNO-LJQANCHMSA-N 0 3 388.515 4.349 50 0 GIAAHN Fc1ccc(CNCc2ccc(OCc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000015356903 570892526 /nfs/dbraw/zinc/89/25/26/570892526.db2.gz YAVNPMXBGHIUPX-UHFFFAOYSA-N 0 3 379.431 4.466 50 0 GIAAHN CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCCC2)cc1 ZINC000015859692 570906795 /nfs/dbraw/zinc/90/67/95/570906795.db2.gz QGLVAJJBUIIBNV-QFIPXVFZSA-N 0 3 389.499 4.471 50 0 GIAAHN COc1ccc([C@@H](CNC(=S)Nc2cc(C)cc(C)c2)N2CCCC2)cc1 ZINC000007583789 570948946 /nfs/dbraw/zinc/94/89/46/570948946.db2.gz YVVUUONKQWUEBY-OAQYLSRUSA-N 0 3 383.561 4.436 50 0 GIAAHN Clc1ccccc1CN1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019361687 570979508 /nfs/dbraw/zinc/97/95/08/570979508.db2.gz VZISAOOGZSUBFG-UHFFFAOYSA-N 0 3 383.967 4.122 50 0 GIAAHN Cc1c2cc(F)ccc2[nH]c1CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000095368179 571059365 /nfs/dbraw/zinc/05/93/65/571059365.db2.gz MSRYTCYFFGPZOC-FXAWDEMLSA-N 0 3 378.495 4.107 50 0 GIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c(C)noc3C)C2)c(C)c1 ZINC000095498754 571075286 /nfs/dbraw/zinc/07/52/86/571075286.db2.gz XREWWVYOZPYTCO-SFHVURJKSA-N 0 3 385.508 4.239 50 0 GIAAHN CCc1ccc(C(=O)N(CC)C[C@@H]2CCCN(CCc3cccc(F)c3)C2)[nH]1 ZINC000095510502 571081680 /nfs/dbraw/zinc/08/16/80/571081680.db2.gz GXEQUHNODPFBKZ-LJQANCHMSA-N 0 3 385.527 4.133 50 0 GIAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccn(C(C)(C)C)c1 ZINC000095518247 571085097 /nfs/dbraw/zinc/08/50/97/571085097.db2.gz BARSNXKYICPNPO-IBGZPJMESA-N 0 3 399.554 4.409 50 0 GIAAHN CCCCc1ncc(CN2CCC3(C[C@H]3C(=O)NCCC3=CCCCC3)CC2)[nH]1 ZINC000012056439 818139732 /nfs/dbraw/zinc/13/97/32/818139732.db2.gz MRWWHLFBBADOBA-NRFANRHFSA-N 0 3 398.595 4.361 50 0 GIAAHN O=C(c1cc2ccccc2[nH]1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000015066368 818286873 /nfs/dbraw/zinc/28/68/73/818286873.db2.gz QIPHCXXIQMMDMR-DEOSSOPVSA-N 0 3 391.490 4.435 50 0 GIAAHN COCc1cc(=O)[n-]c(-c2cccc(C[N@H+](C)[C@H]3CCCc4ccccc43)c2)n1 ZINC000020235952 818617777 /nfs/dbraw/zinc/61/77/77/818617777.db2.gz WHLMLCCYCDJMDH-QFIPXVFZSA-N 0 3 389.499 4.093 50 0 GIAAHN COCc1cc(=O)[n-]c(-c2cccc(C[N@@H+](C)[C@H]3CCCc4ccccc43)c2)n1 ZINC000020235952 818617782 /nfs/dbraw/zinc/61/77/82/818617782.db2.gz WHLMLCCYCDJMDH-QFIPXVFZSA-N 0 3 389.499 4.093 50 0 GIAAHN Cc1cc(=O)[n-]c(-c2cccc(C[N@@H+]3CC[C@H](c4ccccc4Cl)C3)c2)n1 ZINC000020256449 818617825 /nfs/dbraw/zinc/61/78/25/818617825.db2.gz KONHOJDMNFHHMX-SFHVURJKSA-N 0 3 379.891 4.388 50 0 GIAAHN Cc1cc(=O)[n-]c(-c2cccc(C[N@H+]3CC[C@H](c4ccccc4Cl)C3)c2)n1 ZINC000020256449 818617827 /nfs/dbraw/zinc/61/78/27/818617827.db2.gz KONHOJDMNFHHMX-SFHVURJKSA-N 0 3 379.891 4.388 50 0 GIAAHN Cc1cccc(CNCc2cccn2-c2nnc(N3CCCCCC3)s2)c1 ZINC000020576802 818626041 /nfs/dbraw/zinc/62/60/41/818626041.db2.gz XTXATNWTZWVJKS-UHFFFAOYSA-N 0 3 381.549 4.307 50 0 GIAAHN O[C@@H](CNCc1c(C2CC2)nc2sccn12)c1c(Cl)cccc1Cl ZINC000181836462 822012417 /nfs/dbraw/zinc/01/24/17/822012417.db2.gz LQBHVVKXDTVWOF-AWEZNQCLSA-N 0 3 382.316 4.403 50 0 GIAAHN CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3cccc4nonc43)C2)c1 ZINC000055197366 822945104 /nfs/dbraw/zinc/94/51/04/822945104.db2.gz HNDMMIXOWHWFBJ-SFHVURJKSA-N 0 3 379.460 4.105 50 0 GIAAHN COc1cccc(CN2CC[C@H](Oc3ccc(-c4noc(C5CC5)n4)cc3)C2)c1 ZINC000169776864 823915760 /nfs/dbraw/zinc/91/57/60/823915760.db2.gz AGBUGNPENHMING-NRFANRHFSA-N 0 3 391.471 4.276 50 0 GIAAHN COc1ccccc1C(=O)N1CCCCC[C@H]1CN1CCc2ccccc2C1 ZINC000169775154 823915791 /nfs/dbraw/zinc/91/57/91/823915791.db2.gz YZDZDLIIOJWSMM-NRFANRHFSA-N 0 3 378.516 4.138 50 0 GIAAHN Fc1cccc(CN2CCC[C@H](c3nc(CCOCC4CCCC4)no3)C2)c1 ZINC000575559797 823977584 /nfs/dbraw/zinc/97/75/84/823977584.db2.gz RZBUPIKLIZUGLI-IBGZPJMESA-N 0 3 387.499 4.338 50 0 GIAAHN CN(C)CCOc1ccccc1-c1cccc(C(=O)N(C)Cc2ccoc2)c1 ZINC000426580966 231244063 /nfs/dbraw/zinc/24/40/63/231244063.db2.gz PABKSFQGSDEMRE-UHFFFAOYSA-N 0 3 378.472 4.159 50 0 GIAAHN Cc1cccc(OC[C@@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000003381035 204003028 /nfs/dbraw/zinc/00/30/28/204003028.db2.gz UHZQVPWZXXLSNV-SFHVURJKSA-N 0 3 382.529 4.224 50 0 GIAAHN Cc1cccc(OC[C@H](O)CN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000003381032 204003301 /nfs/dbraw/zinc/00/33/01/204003301.db2.gz UHZQVPWZXXLSNV-GOSISDBHSA-N 0 3 382.529 4.224 50 0 GIAAHN COc1ccc(Cl)cc1NC(=S)N(CCN(C)C)Cc1cccs1 ZINC000003665403 204017850 /nfs/dbraw/zinc/01/78/50/204017850.db2.gz FLPOZJRCTDDWBI-UHFFFAOYSA-N 0 3 383.970 4.171 50 0 GIAAHN COc1ccc(NC(=S)N(CCN2CCCCCC2)Cc2ccco2)cc1 ZINC000003665513 204018564 /nfs/dbraw/zinc/01/85/64/204018564.db2.gz WAEJDFICMZGGLU-UHFFFAOYSA-N 0 3 387.549 4.363 50 0 GIAAHN CCN(CC)CCOC(=O)[C@@H](Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000003831171 204019031 /nfs/dbraw/zinc/01/90/31/204019031.db2.gz KBAFPSLPKGSANY-VXKWHMMOSA-N 0 3 383.532 4.453 50 0 world GIAAHN CSc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703455 204067015 /nfs/dbraw/zinc/06/70/15/204067015.db2.gz POEYTQNZCLNHEY-UHFFFAOYSA-N 0 3 381.589 4.195 50 0 GIAAHN CSc1ccc(CN2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004712140 204067435 /nfs/dbraw/zinc/06/74/35/204067435.db2.gz OIWNZSOBJYBZIG-UHFFFAOYSA-N 0 3 399.579 4.334 50 0 GIAAHN COc1cc(CN[C@@H](C)c2ccccc2)cc(I)c1OC ZINC000004857707 204083647 /nfs/dbraw/zinc/08/36/47/204083647.db2.gz RTRHYTOPLHZHEF-LBPRGKRZSA-N 0 3 397.256 4.159 50 0 GIAAHN Cc1ccc(Cc2cnc(NC(=O)C3Oc4ccccc4O[C@H]3C)s2)cc1 ZINC000005008518 204102478 /nfs/dbraw/zinc/10/24/78/204102478.db2.gz OFOZEGGIGVSUTH-IFXJQAMLSA-N 0 3 380.469 4.209 50 0 GIAAHN COc1ccc(Cl)cc1NC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000005041536 204105872 /nfs/dbraw/zinc/10/58/72/204105872.db2.gz MQAVZUUSCVIVGZ-UHFFFAOYSA-N 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COc1ccc(CC2(CO)CCN(Cc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000012712443 570703452 /nfs/dbraw/zinc/70/34/52/570703452.db2.gz PTOQOZKIYMBVFU-UHFFFAOYSA-N 0 3 383.532 4.300 50 0 GIAAHN C[C@@H](NCc1ccccc1OCC(=O)N1CCCC1)c1ccc2c(c1)CCCC2 ZINC000017317350 570704301 /nfs/dbraw/zinc/70/43/01/570704301.db2.gz GUQBEDFIXGKDFC-LJQANCHMSA-N 0 3 392.543 4.417 50 0 GIAAHN Cc1cccc(C(=O)N(C)CC2CCN(CCc3ccccc3F)CC2)c1C ZINC000012717568 570704762 /nfs/dbraw/zinc/70/47/62/570704762.db2.gz FHBAEXMUILVPJR-UHFFFAOYSA-N 0 3 382.523 4.469 50 0 GIAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012756399 570710166 /nfs/dbraw/zinc/71/01/66/570710166.db2.gz YJPHQHWYZMMPIR-XMMPIXPASA-N 0 3 394.515 4.033 50 0 GIAAHN COc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)N2CCCC2)cc1 ZINC000017911477 570719087 /nfs/dbraw/zinc/71/90/87/570719087.db2.gz GNBVJYRVVGSSLV-DEOSSOPVSA-N 0 3 388.511 4.344 50 0 GIAAHN COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1F ZINC000032736354 570789076 /nfs/dbraw/zinc/78/90/76/570789076.db2.gz 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O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN1C1CCOCC1 ZINC000014962013 570866732 /nfs/dbraw/zinc/86/67/32/570866732.db2.gz BTSDTFWSRKBEBU-QHCPKHFHSA-N 0 3 389.499 4.417 50 0 GIAAHN CN(C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1)C1CCN(C)CC1 ZINC000015079431 570879453 /nfs/dbraw/zinc/87/94/53/570879453.db2.gz GHXGIZODCKHOAU-OAQYLSRUSA-N 0 3 386.923 4.120 50 0 GIAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000012601637 570887193 /nfs/dbraw/zinc/88/71/93/570887193.db2.gz JSEVRGIDKBLNNO-IBGZPJMESA-N 0 3 388.515 4.349 50 0 GIAAHN O=C(Cc1c(F)cccc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013327903 570895470 /nfs/dbraw/zinc/89/54/70/570895470.db2.gz VZEGPQVJDLBTLX-UHFFFAOYSA-N 0 3 390.930 4.135 50 0 GIAAHN O=C(Cc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000013779908 570901391 /nfs/dbraw/zinc/90/13/91/570901391.db2.gz SRGBWTBSEORGCM-UHFFFAOYSA-N 0 3 376.422 4.029 50 0 GIAAHN CCOc1ccc2ccccc2c1C(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023128007 570913383 /nfs/dbraw/zinc/91/33/83/570913383.db2.gz 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CCN(C(=O)c1cc2ccc(OC)cc2[nH]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000040158082 821152915 /nfs/dbraw/zinc/15/29/15/821152915.db2.gz ZSOIKDLXWXGAML-PXNSSMCTSA-N 0 3 391.515 4.474 50 0 GIAAHN O=C1CCc2cc(NC3CCN(CCC(F)(F)F)CC3)ccc2N1CC1CC1 ZINC000186672333 822934381 /nfs/dbraw/zinc/93/43/81/822934381.db2.gz IGGWFXCJNUFODG-UHFFFAOYSA-N 0 3 395.469 4.205 50 0 GIAAHN Cc1c2cccc(Cl)c2oc1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190575663 823587697 /nfs/dbraw/zinc/58/76/97/823587697.db2.gz HSVRYUQCKDBPLO-QGZVFWFLSA-N 0 3 397.906 4.384 50 0 GIAAHN COc1ccccc1C(=O)N1CCCCC[C@@H]1CN1CCc2ccccc2C1 ZINC000169775153 823915469 /nfs/dbraw/zinc/91/54/69/823915469.db2.gz YZDZDLIIOJWSMM-OAQYLSRUSA-N 0 3 378.516 4.138 50 0 GIAAHN COc1cccc(CN2CCC(Cn3c(C)cnc3C3CCC3)CC2)c1OC ZINC000575549142 823976316 /nfs/dbraw/zinc/97/63/16/823976316.db2.gz HPHILSDXVMHUAQ-UHFFFAOYSA-N 0 3 383.536 4.388 50 0 GIAAHN CCOc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccco3)sc2c1 ZINC000004359442 204040049 /nfs/dbraw/zinc/04/00/49/204040049.db2.gz 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570219994 /nfs/dbraw/zinc/21/99/94/570219994.db2.gz CSZJIQSHZDOBNJ-HNNXBMFYSA-N 0 3 392.565 4.110 50 0 GIAAHN Oc1ccc(-c2nnc(SCCN3CCCCC3)n2-c2ccccc2)cc1 ZINC000000886657 570228396 /nfs/dbraw/zinc/22/83/96/570228396.db2.gz GXPZLBUZEOYWID-UHFFFAOYSA-N 0 3 380.517 4.218 50 0 GIAAHN COc1cccc([C@H]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1OC ZINC000097773194 570254890 /nfs/dbraw/zinc/25/48/90/570254890.db2.gz IBJXDXHUKPNFTG-INIZCTEOSA-N 0 3 381.451 4.223 50 0 GIAAHN C[C@H]1CN(CCCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000020168539 570254904 /nfs/dbraw/zinc/25/49/04/570254904.db2.gz KGFQXFPDAMZRDI-STQMWFEESA-N 0 3 376.722 4.371 50 0 GIAAHN Brc1cccc(OCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000020500074 570264388 /nfs/dbraw/zinc/26/43/88/570264388.db2.gz OJMMIKBSWDFJSK-UHFFFAOYSA-N 0 3 389.337 4.036 50 0 GIAAHN O=C1O[C@@H](c2nc(-c3cccc(CN4CCCCC4)c3)no2)Cc2ccccc21 ZINC000113719417 570272498 /nfs/dbraw/zinc/27/24/98/570272498.db2.gz APGYZMYJPIHKQE-HXUWFJFHSA-N 0 3 389.455 4.177 50 0 GIAAHN COc1ccc(CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC(C)C)cc1OC ZINC000015862341 570278872 /nfs/dbraw/zinc/27/88/72/570278872.db2.gz GPBGBHYSRSXREW-UHFFFAOYSA-N 0 3 398.478 4.343 50 0 GIAAHN COc1cc(Br)cc(CNCCc2ccc(Cl)cc2)c1OC ZINC000020933975 570285420 /nfs/dbraw/zinc/28/54/20/570285420.db2.gz VMWFMUAQFFSBSP-UHFFFAOYSA-N 0 3 384.701 4.452 50 0 GIAAHN O=C(c1[nH]nc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021004437 570287355 /nfs/dbraw/zinc/28/73/55/570287355.db2.gz DODQURWKJHRDIS-UHFFFAOYSA-N 0 3 396.494 4.110 50 0 GIAAHN COCCNCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873901 570287928 /nfs/dbraw/zinc/28/79/28/570287928.db2.gz LUCVVSGEOQDOJD-UHFFFAOYSA-N 0 3 394.309 4.081 50 0 GIAAHN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@H](C)c2cc(C)ccc2C)c1 ZINC000012909026 570291093 /nfs/dbraw/zinc/29/10/93/570291093.db2.gz ZDRRFTRIRYGAHH-GOSISDBHSA-N 0 3 381.520 4.075 50 0 GIAAHN Cc1cc(C(=O)CCC(=O)NCc2ccccc2CN2CCCC2)c(C)s1 ZINC000021962592 570300392 /nfs/dbraw/zinc/30/03/92/570300392.db2.gz WUSDFYALXUOHBC-UHFFFAOYSA-N 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CCc1ccc(OCC(=O)NC[C@H](c2ccc(CC)cc2)N2CCCC2)cc1 ZINC000028293148 570456956 /nfs/dbraw/zinc/45/69/56/570456956.db2.gz FHXBMRFWOIJPCL-HSZRJFAPSA-N 0 3 380.532 4.144 50 0 GIAAHN CN(C)[C@H](CNC(=O)c1ccccc1SCc1cscn1)c1ccccc1 ZINC000030710731 570493919 /nfs/dbraw/zinc/49/39/19/570493919.db2.gz NHBBVLFAOPNVGJ-LJQANCHMSA-N 0 3 397.569 4.468 50 0 GIAAHN CN1CCC(CN(CCc2ccccc2)C(=O)CCCc2cccs2)CC1 ZINC000012058373 570603477 /nfs/dbraw/zinc/60/34/77/570603477.db2.gz AYGKYVDODGUPAY-UHFFFAOYSA-N 0 3 384.589 4.484 50 0 GIAAHN COc1cc(O)ccc1CN1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000012151451 570618058 /nfs/dbraw/zinc/61/80/58/570618058.db2.gz IQFXGYQHQOHLJO-OAHLLOKOSA-N 0 3 399.441 4.449 50 0 GIAAHN CN(C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccco1 ZINC000012387022 570651888 /nfs/dbraw/zinc/65/18/88/570651888.db2.gz FBSBWAWIISMTQX-KRWDZBQOSA-N 0 3 394.437 4.325 50 0 GIAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccnc(Cl)c4)C3)C2)c1 ZINC000012715086 570704162 /nfs/dbraw/zinc/70/41/62/570704162.db2.gz 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0 GIAAHN CN(CCc1ccccn1)[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020906700 570284225 /nfs/dbraw/zinc/28/42/25/570284225.db2.gz NMZQGWYQYPCJQK-NRFANRHFSA-N 0 3 392.572 4.344 50 0 GIAAHN CNC(=O)[C@H]1CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000215418474 570288694 /nfs/dbraw/zinc/28/86/94/570288694.db2.gz JTPJTZNARPFZIF-HNNXBMFYSA-N 0 3 378.394 4.066 50 0 GIAAHN CCCCCCOc1ccc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000022078460 570305283 /nfs/dbraw/zinc/30/52/83/570305283.db2.gz SKOSAPNRLHQYCV-RTWAWAEBSA-N 0 3 380.532 4.427 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)CCc1ccc(Cl)cc1)c1cccc(OC)c1 ZINC000022700962 570325042 /nfs/dbraw/zinc/32/50/42/570325042.db2.gz YQVGADGXCURRMD-OAQYLSRUSA-N 0 3 388.939 4.481 50 0 GIAAHN CCOc1cccc(CNCCOc2ccccn2)c1OCc1ccccc1 ZINC000113396121 570330905 /nfs/dbraw/zinc/33/09/05/570330905.db2.gz YVCMKEBRXDNGAQ-UHFFFAOYSA-N 0 3 378.472 4.228 50 0 GIAAHN COc1cc(CNCCOc2ccccn2)ccc1OCc1cccc(Cl)c1 ZINC000113395839 570330927 /nfs/dbraw/zinc/33/09/27/570330927.db2.gz UJAXXJQWIBBHIU-UHFFFAOYSA-N 0 3 398.890 4.491 50 0 GIAAHN COc1cccc(CNCCOc2ccccn2)c1OCc1cccc(C)c1 ZINC000113395467 570331023 /nfs/dbraw/zinc/33/10/23/570331023.db2.gz IBUYLBGKYWIWIP-UHFFFAOYSA-N 0 3 378.472 4.146 50 0 GIAAHN COc1ccccc1CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022913321 570334172 /nfs/dbraw/zinc/33/41/72/570334172.db2.gz AHVXUAHKPLIGIQ-QFIPXVFZSA-N 0 3 399.966 4.135 50 0 GIAAHN CCOc1ccc([C@H](c2c(O)cc(C)n(CC)c2=O)N2CCC(C)CC2)cc1 ZINC000024022935 570342564 /nfs/dbraw/zinc/34/25/64/570342564.db2.gz GPYUHONIRWSMSG-JOCHJYFZSA-N 0 3 384.520 4.102 50 0 GIAAHN Cc1cccc2oc(CNC3CCN(c4cccc(-n5cccn5)c4)CC3)nc21 ZINC000023159064 570347358 /nfs/dbraw/zinc/34/73/58/570347358.db2.gz BHKBPJRDKAVNQO-UHFFFAOYSA-N 0 3 387.487 4.081 50 0 GIAAHN CCN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000023338811 570355232 /nfs/dbraw/zinc/35/52/32/570355232.db2.gz AOZNBJXTGOFGOA-FQEVSTJZSA-N 0 3 394.538 4.479 50 0 GIAAHN FC(F)Oc1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000022786186 570377141 /nfs/dbraw/zinc/37/71/41/570377141.db2.gz HJXKCGBEZZREMT-UHFFFAOYSA-N 0 3 386.192 4.069 50 0 GIAAHN CCCc1nn2c(nc(CN(Cc3ccc(C)cc3)CC(C)C)cc2=O)s1 ZINC000035509806 570382406 /nfs/dbraw/zinc/38/24/06/570382406.db2.gz HCAZCFFEYAYXDT-UHFFFAOYSA-N 0 3 384.549 4.070 50 0 GIAAHN CN(C)Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccccc2F)cc1 ZINC000024445274 570383891 /nfs/dbraw/zinc/38/38/91/570383891.db2.gz WQRAYYMQUBVLHL-UHFFFAOYSA-N 0 3 398.503 4.033 50 0 GIAAHN CC(C)CN(Cc1ccc(F)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033068903 570400954 /nfs/dbraw/zinc/40/09/54/570400954.db2.gz OIJKDUOXCQACID-UHFFFAOYSA-N 0 3 399.535 4.432 50 0 GIAAHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cccc(Cl)c2)cc1 ZINC000026311085 570424495 /nfs/dbraw/zinc/42/44/95/570424495.db2.gz ZZPZSKRKLLWBOB-OAHLLOKOSA-N 0 3 380.941 4.221 50 0 GIAAHN CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2c1CCCCC2 ZINC000001801777 570425757 /nfs/dbraw/zinc/42/57/57/570425757.db2.gz MYYREYNATUCYBC-UHFFFAOYSA-N 0 3 392.565 4.254 50 0 GIAAHN COc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027582915 570436818 /nfs/dbraw/zinc/43/68/18/570436818.db2.gz CUKYWQWEDBJTFN-JOCHJYFZSA-N 0 3 382.504 4.051 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)N2CCCCCC2)cc1 ZINC000027584437 570436873 /nfs/dbraw/zinc/43/68/73/570436873.db2.gz CLSUSAIESXQVJD-JOCHJYFZSA-N 0 3 384.495 4.246 50 0 GIAAHN CC1CCN([C@H](CNC(=O)COc2ccccc2Cl)c2cccs2)CC1 ZINC000028291537 570455938 /nfs/dbraw/zinc/45/59/38/570455938.db2.gz ZMAGLUQBSMOOES-QGZVFWFLSA-N 0 3 392.952 4.370 50 0 GIAAHN Clc1cccc(-c2nn(-c3ccccc3)cc2CNCCn2ccnc2)c1 ZINC000026309192 570458559 /nfs/dbraw/zinc/45/85/59/570458559.db2.gz AGQJJOZWNJXBDQ-UHFFFAOYSA-N 0 3 377.879 4.179 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)c1nc(-c2ccccc2)oc1C)c1ccccc1 ZINC000029165718 570470026 /nfs/dbraw/zinc/47/00/26/570470026.db2.gz SDRPDQMCGPADSM-HXUWFJFHSA-N 0 3 377.488 4.463 50 0 GIAAHN Cn1c(CCNCc2ccccc2OCc2ccccn2)nc2ccc(F)cc21 ZINC000072289943 570482903 /nfs/dbraw/zinc/48/29/03/570482903.db2.gz KYJDYWHUTMGNGZ-UHFFFAOYSA-N 0 3 390.462 4.019 50 0 GIAAHN CCC[C@H](C)N(C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000030270052 570487984 /nfs/dbraw/zinc/48/79/84/570487984.db2.gz MUZMYGSRQOFRMN-KRWDZBQOSA-N 0 3 384.520 4.030 50 0 GIAAHN CC(=O)Nc1cccc([C@H](C)NCc2cccc(OCc3ccccn3)c2)c1 ZINC000030630150 570492762 /nfs/dbraw/zinc/49/27/62/570492762.db2.gz FAZHWXVIGPBPDJ-KRWDZBQOSA-N 0 3 375.472 4.470 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000002622259 570500907 /nfs/dbraw/zinc/50/09/07/570500907.db2.gz ZRGMCTPECHIJNZ-UHFFFAOYSA-N 0 3 378.303 4.388 50 0 GIAAHN CCOc1cc(CN2CCCCC[C@H]2c2cccc(C)c2)ccc1OCC(N)=O ZINC000033087225 570519885 /nfs/dbraw/zinc/51/98/85/570519885.db2.gz NEZQCRZNZGYCOQ-NRFANRHFSA-N 0 3 396.531 4.375 50 0 GIAAHN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000072305843 570520981 /nfs/dbraw/zinc/52/09/81/570520981.db2.gz DVLLVEQEXJXIQL-UHFFFAOYSA-N 0 3 393.409 4.306 50 0 GIAAHN COc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc(-n4cccn4)cc3)C2)cc1F ZINC000012454523 570668726 /nfs/dbraw/zinc/66/87/26/570668726.db2.gz LZLKWANURAMYFG-LJQANCHMSA-N 0 3 393.462 4.115 50 0 GIAAHN CO[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)C1 ZINC000012467500 570671800 /nfs/dbraw/zinc/67/18/00/570671800.db2.gz CIQSNWYSWOLVKR-JOCHJYFZSA-N 0 3 377.488 4.490 50 0 GIAAHN COc1ccccc1/C=C/CN1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012575202 570682546 /nfs/dbraw/zinc/68/25/46/570682546.db2.gz IBLHJJFVARHHAD-VQHVLOKHSA-N 0 3 381.516 4.252 50 0 GIAAHN CCc1ocnc1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2 ZINC000012595897 570688979 /nfs/dbraw/zinc/68/89/79/570688979.db2.gz QJUMUDZYGJUOIR-XMMPIXPASA-N 0 3 395.547 4.489 50 0 GIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)CCSC)CC1 ZINC000012708143 570700967 /nfs/dbraw/zinc/70/09/67/570700967.db2.gz BMMJPDXLKMORHJ-UHFFFAOYSA-N 0 3 392.609 4.145 50 0 GIAAHN COc1ccc(CNCc2cc(C)n(-c3ccnn3C(C)C)c2C)cc1OC ZINC000017310787 570704017 /nfs/dbraw/zinc/70/40/17/570704017.db2.gz VFMSKPBJAVRHEZ-UHFFFAOYSA-N 0 3 382.508 4.179 50 0 GIAAHN Fc1ccc(-c2ccc(CNCc3ccccc3CN3CCOCC3)o2)cc1 ZINC000017318128 570704498 /nfs/dbraw/zinc/70/44/98/570704498.db2.gz XNJKXWYHMQLXNN-UHFFFAOYSA-N 0 3 380.463 4.208 50 0 GIAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000032763310 570800802 /nfs/dbraw/zinc/80/08/02/570800802.db2.gz QNJVOPIZZLKBEX-HNNXBMFYSA-N 0 3 384.423 4.214 50 0 GIAAHN Cc1cc(CN2CCC(CNC(=O)Nc3c(F)cccc3F)CC2)c(C)o1 ZINC000043973027 570847992 /nfs/dbraw/zinc/84/79/92/570847992.db2.gz UYTKKRIMUZYNED-UHFFFAOYSA-N 0 3 377.435 4.208 50 0 GIAAHN O=C(NCc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000032862464 570861335 /nfs/dbraw/zinc/86/13/35/570861335.db2.gz VRPKKRHOMRBRKB-UHFFFAOYSA-N 0 3 391.437 4.169 50 0 GIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102758615 570862881 /nfs/dbraw/zinc/86/28/81/570862881.db2.gz HCYCUAOHHQFOOQ-FDFHNCONSA-N 0 3 384.435 4.046 50 0 GIAAHN Cc1ccc(CN2CCC(c3nnc(SCc4ccncc4)n3C)CC2)s1 ZINC000014969239 570867304 /nfs/dbraw/zinc/86/73/04/570867304.db2.gz QJFGBWKGRQXLRB-UHFFFAOYSA-N 0 3 399.589 4.252 50 0 GIAAHN CC(=O)c1cc(CN[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)cs1 ZINC000014974792 570867965 /nfs/dbraw/zinc/86/79/65/570867965.db2.gz SCUDUVUEJWQRRF-HNNXBMFYSA-N 0 3 383.439 4.123 50 0 GIAAHN O=C1CC[C@H](CCNCc2cccnc2)N1CC1(c2ccccc2)CCCC1 ZINC000014990127 570870276 /nfs/dbraw/zinc/87/02/76/570870276.db2.gz SFCIQUKMDZUFDD-JOCHJYFZSA-N 0 3 377.532 4.064 50 0 GIAAHN CCn1nc(C)c(CN2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1C ZINC000015005276 570870784 /nfs/dbraw/zinc/87/07/84/570870784.db2.gz JVZLQFYVGDWTFX-SFHVURJKSA-N 0 3 381.499 4.429 50 0 GIAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000015075268 570878427 /nfs/dbraw/zinc/87/84/27/570878427.db2.gz VBNKDDQLWLMCBH-KRWDZBQOSA-N 0 3 376.422 4.442 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)cc1 ZINC000015859700 570906620 /nfs/dbraw/zinc/90/66/20/570906620.db2.gz CUAMMRPMOLHNEG-LJQANCHMSA-N 0 3 383.879 4.336 50 0 GIAAHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000016599301 570928278 /nfs/dbraw/zinc/92/82/78/570928278.db2.gz YNOHARVRHTXJIW-GUYCJALGSA-N 0 3 381.303 4.180 50 0 GIAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc(CC)cc2)n2c3ccccc3nc21 ZINC000021005915 570952320 /nfs/dbraw/zinc/95/23/20/570952320.db2.gz FTJNKEAXAXYOEK-FQEVSTJZSA-N 0 3 390.487 4.315 50 0 GIAAHN CCN1CCN(c2cc(-c3nc(-c4ccccc4)no3)c3ccccc3n2)CC1 ZINC000033282519 570957749 /nfs/dbraw/zinc/95/77/49/570957749.db2.gz WGOXYQQVBGHJSW-UHFFFAOYSA-N 0 3 385.471 4.094 50 0 GIAAHN CN(Cc1ccccc1)C1(CNC(=O)CCC(F)(F)F)Cc2ccccc2C1 ZINC000019225918 570964118 /nfs/dbraw/zinc/96/41/18/570964118.db2.gz SIAPOYWFUZYSPM-UHFFFAOYSA-N 0 3 390.449 4.115 50 0 GIAAHN COc1ccc(Br)cc1CN1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000019359860 570979593 /nfs/dbraw/zinc/97/95/93/570979593.db2.gz ZKHVGRLKKHRXRK-CRAIPNDOSA-N 0 3 381.358 4.154 50 0 GIAAHN O=C1CCC2(CCN(C/C=C/c3ccc(F)cc3)CC2)CN1Cc1cccnc1 ZINC000091445081 571008744 /nfs/dbraw/zinc/00/87/44/571008744.db2.gz DRNKLWVFZAXWNR-DUXPYHPUSA-N 0 3 393.506 4.139 50 0 GIAAHN O=C(COc1ccc2ccccc2c1)NC1CCN(CCc2ccccc2)CC1 ZINC000084528902 571021794 /nfs/dbraw/zinc/02/17/94/571021794.db2.gz JQQBQLXAJNXZFB-UHFFFAOYSA-N 0 3 388.511 4.042 50 0 GIAAHN CN(C)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)Cc1ccccc1 ZINC000012775885 571029096 /nfs/dbraw/zinc/02/90/96/571029096.db2.gz TVUZYVZGASMNFQ-IBGZPJMESA-N 0 3 386.495 4.213 50 0 GIAAHN CSc1ccccc1CN1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000092076993 571043986 /nfs/dbraw/zinc/04/39/86/571043986.db2.gz XLYUIADVNMBZRW-UHFFFAOYSA-N 0 3 395.572 4.208 50 0 GIAAHN Cc1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@H](CN2Cc2ccccc2)C1 ZINC000095392841 571073671 /nfs/dbraw/zinc/07/36/71/571073671.db2.gz GHYRUOFKDVENED-WIOPSUGQSA-N 0 3 386.543 4.277 50 0 GIAAHN CCCSc1ccccc1NC(=O)N1CCC(N2CCSCC2)CC1 ZINC000095497417 571074412 /nfs/dbraw/zinc/07/44/12/571074412.db2.gz FAOZJXBMQMWUHD-UHFFFAOYSA-N 0 3 379.595 4.234 50 0 GIAAHN CCN(C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)C1CC1 ZINC000095503467 571077560 /nfs/dbraw/zinc/07/75/60/571077560.db2.gz PPLLLLKEDPUNGV-UHFFFAOYSA-N 0 3 392.543 4.397 50 0 GIAAHN COc1cccc(-c2ccccc2NC(=O)C2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000095507288 571079458 /nfs/dbraw/zinc/07/94/58/571079458.db2.gz VNFXFZAOLHELHG-NRFANRHFSA-N 0 3 394.515 4.192 50 0 GIAAHN COc1cccc(CN2CC3(CC2=O)CCN(Cc2cc(F)ccc2C)CC3)c1 ZINC000095518095 571084992 /nfs/dbraw/zinc/08/49/92/571084992.db2.gz QXGBETMBAZNCOF-UHFFFAOYSA-N 0 3 396.506 4.157 50 0 GIAAHN C[C@H]1CCCN1C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095519241 571086188 /nfs/dbraw/zinc/08/61/88/571086188.db2.gz VNGJTIHGJPERRC-FQEVSTJZSA-N 0 3 392.543 4.397 50 0 GIAAHN COc1ccc([C@@H]2CN(C(=O)c3ccccc3Cl)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095522310 571087741 /nfs/dbraw/zinc/08/77/41/571087741.db2.gz VSJHQFLSAMOSJO-KSEOMHKRSA-N 0 3 396.918 4.051 50 0 GIAAHN Cc1cc2cc(NC(=O)N(Cc3ccncc3)C3CCN(C)CC3)ccc2o1 ZINC000095525502 571090611 /nfs/dbraw/zinc/09/06/11/571090611.db2.gz URRCIMYVVSGIEW-UHFFFAOYSA-N 0 3 378.476 4.265 50 0 GIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2ncoc2C)CC1 ZINC000095528532 571091886 /nfs/dbraw/zinc/09/18/86/571091886.db2.gz PWYNAZAEKXILTE-UHFFFAOYSA-N 0 3 399.535 4.002 50 0 GIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000002332739 817384489 /nfs/dbraw/zinc/38/44/89/817384489.db2.gz XAMAGBJBSKQBOE-HWBMXIPRSA-N 0 3 398.462 4.436 50 0 GIAAHN CCOc1ccc(-c2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)cc1 ZINC000003007992 817410711 /nfs/dbraw/zinc/41/07/11/817410711.db2.gz YHVNNACUUATQPP-UHFFFAOYSA-N 0 3 389.499 4.126 50 0 GIAAHN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3ccncc3)C2)cc1Cl ZINC000012373504 818155874 /nfs/dbraw/zinc/15/58/74/818155874.db2.gz PWGREUBXRYSVQG-INIZCTEOSA-N 0 3 387.911 4.375 50 0 GIAAHN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccc(C)o4)CC3)cc2)n1 ZINC000012431313 818158686 /nfs/dbraw/zinc/15/86/86/818158686.db2.gz RLBMUPQAKWEGKR-UHFFFAOYSA-N 0 3 392.503 4.241 50 0 GIAAHN COc1cccc(CN2CC[C@@H](N(C)[C@@H](C)c3nc(C)cs3)CCC2=O)c1 ZINC000015006931 818282324 /nfs/dbraw/zinc/28/23/24/818282324.db2.gz JPWWHLFNBDHYSB-WMZOPIPTSA-N 0 3 387.549 4.034 50 0 GIAAHN Cc1cc(C)cc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020927166 818640916 /nfs/dbraw/zinc/64/09/16/818640916.db2.gz BAKNLGFGYRYDFP-UHFFFAOYSA-N 0 3 394.544 4.465 50 0 GIAAHN Cc1ccc(C)c(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020927161 818641003 /nfs/dbraw/zinc/64/10/03/818641003.db2.gz KPZGUFCCZFTOJR-UHFFFAOYSA-N 0 3 394.544 4.465 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(F)cc1Br)c1ccsc1 ZINC000031986504 820884814 /nfs/dbraw/zinc/88/48/14/820884814.db2.gz VBWGYOBCALMJFK-MRXNPFEDSA-N 0 3 399.329 4.463 50 0 GIAAHN O=C(NCC1CCN(Cc2ccco2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000038489599 821097167 /nfs/dbraw/zinc/09/71/67/821097167.db2.gz JNSANEGXCUUYMK-UHFFFAOYSA-N 0 3 381.398 4.332 50 0 GIAAHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cc3cc(Cl)ccc3o2)C1 ZINC000190626939 823593206 /nfs/dbraw/zinc/59/32/06/823593206.db2.gz DREGIZRVLSNNEO-INIZCTEOSA-N 0 3 383.879 4.075 50 0 GIAAHN COc1ccc(/C=C/CN2CC[C@]3(OC)CC[C@H](Oc4ccccn4)C[C@H]23)cc1 ZINC000426420569 231218129 /nfs/dbraw/zinc/21/81/29/231218129.db2.gz JHVSBCKEJWGWAU-FOZDMQAISA-N 0 3 394.515 4.194 50 0 GIAAHN Cc1ccc(NC(=S)N(CCN(C)C)[C@H](C)c2ccccn2)c(Cl)c1 ZINC000003025910 203981780 /nfs/dbraw/zinc/98/17/80/203981780.db2.gz WCLYMFGMDPSMLO-OAHLLOKOSA-N 0 3 376.957 4.365 50 0 GIAAHN COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)C3CCCCC3)cc2)cc1 ZINC000003345356 204000885 /nfs/dbraw/zinc/00/08/85/204000885.db2.gz GRZGEUVTQMGXFH-UHFFFAOYSA-N 0 3 395.503 4.151 50 0 GIAAHN COc1cc(CN[C@H](C)c2ccccc2)cc(I)c1OC ZINC000004857710 204083692 /nfs/dbraw/zinc/08/36/92/204083692.db2.gz RTRHYTOPLHZHEF-GFCCVEGCSA-N 0 3 397.256 4.159 50 0 GIAAHN C[C@]12C(=O)N(c3ccccc3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004545834 204052499 /nfs/dbraw/zinc/05/24/99/204052499.db2.gz OCVIWFTWHXETLP-PQNGQFLHSA-N 0 3 384.435 4.128 50 0 GIAAHN Cc1cc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccccc2F)no1 ZINC000005322108 204126349 /nfs/dbraw/zinc/12/63/49/204126349.db2.gz MJTDVNCWYWXULQ-IBGZPJMESA-N 0 3 390.370 4.287 50 0 GIAAHN CC1CCN(C[C@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000005043766 204106437 /nfs/dbraw/zinc/10/64/37/204106437.db2.gz VWFHIXLNODBBMO-FQEVSTJZSA-N 0 3 387.907 4.043 50 0 GIAAHN Cc1ccc(NC(=O)N2CCC[C@H](CN3CCc4ccccc4C3)C2)cc1F ZINC000006877411 204218221 /nfs/dbraw/zinc/21/82/21/204218221.db2.gz VIPGHGYVNIYZPB-GOSISDBHSA-N 0 3 381.495 4.436 50 0 GIAAHN Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)[nH]n2)cc1C ZINC000006943202 204226225 /nfs/dbraw/zinc/22/62/25/204226225.db2.gz ZVDUJVRERXDART-UHFFFAOYSA-N 0 3 388.515 4.088 50 0 GIAAHN CN(C)[C@H](CNC(=O)c1cccnc1Sc1ccccc1)Cc1ccccc1 ZINC000007990903 204258537 /nfs/dbraw/zinc/25/85/37/204258537.db2.gz VGDCCKCXHKWXEV-IBGZPJMESA-N 0 3 391.540 4.136 50 0 GIAAHN CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2cccc(C(=O)NC)c2)C(C)C)cc1 ZINC000007719246 204248042 /nfs/dbraw/zinc/24/80/42/204248042.db2.gz PSLBHARZHXDQPS-HXOBKFHXSA-N 0 3 395.547 4.485 50 0 GIAAHN O=C(NCc1ccccc1CN1CCCCC1)c1cccc(Br)c1 ZINC000007849904 204253338 /nfs/dbraw/zinc/25/33/38/204253338.db2.gz 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ZINC000011661881 204349043 /nfs/dbraw/zinc/34/90/43/204349043.db2.gz GMFWQGDXIXMZFM-UHFFFAOYSA-N 0 3 378.516 4.274 50 0 GIAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000011668244 204351703 /nfs/dbraw/zinc/35/17/03/204351703.db2.gz QYQZKAVGOPRUNM-SFHVURJKSA-N 0 3 378.501 4.056 50 0 GIAAHN COc1ccc(CN2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000011753787 204353280 /nfs/dbraw/zinc/35/32/80/204353280.db2.gz KNIRKEAHQOQDFY-UHFFFAOYSA-N 0 3 380.532 4.346 50 0 GIAAHN CN(C(=O)c1cc2ccccc2n1C)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000011820502 204355270 /nfs/dbraw/zinc/35/52/70/204355270.db2.gz BKKSHHHCIVEWNU-QFIPXVFZSA-N 0 3 389.543 4.348 50 0 GIAAHN COCc1ccc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)s1 ZINC000011843497 204357859 /nfs/dbraw/zinc/35/78/59/204357859.db2.gz FCZKLFAPIKMJHF-IBGZPJMESA-N 0 3 386.561 4.064 50 0 GIAAHN Cc1cccc(-c2cccc(NC(=O)[C@H]3CCCN(Cc4cnn(C)c4)C3)c2)c1 ZINC000011878963 204359172 /nfs/dbraw/zinc/35/91/72/204359172.db2.gz LQINXYXPGINZGR-QFIPXVFZSA-N 0 3 388.515 4.246 50 0 GIAAHN Cn1ccnc1SCCNCc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000011935315 204362821 /nfs/dbraw/zinc/36/28/21/204362821.db2.gz QIKCCGILYYUQTM-UHFFFAOYSA-N 0 3 389.528 4.359 50 0 GIAAHN O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cccnc2)CC1 ZINC000011937833 204364835 /nfs/dbraw/zinc/36/48/35/204364835.db2.gz RVHUJZMJVPGRPW-UHFFFAOYSA-N 0 3 388.471 4.120 50 0 GIAAHN Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000011093685 204342473 /nfs/dbraw/zinc/34/24/73/204342473.db2.gz DURDNHKKIPNWCX-VGSWGCGISA-N 0 3 382.504 4.389 50 0 GIAAHN Cn1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(-c2ccccc2F)n1 ZINC000012197849 204381269 /nfs/dbraw/zinc/38/12/69/204381269.db2.gz YHLHWMPCNRHFSX-INIZCTEOSA-N 0 3 389.478 4.482 50 0 GIAAHN Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCCN(C/C=C/c3ccco3)C2)cc1 ZINC000012210072 204383751 /nfs/dbraw/zinc/38/37/51/204383751.db2.gz UWAQTGCOELVGMP-MTGFJVSHSA-N 0 3 390.487 4.138 50 0 GIAAHN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000012299136 204390833 /nfs/dbraw/zinc/39/08/33/204390833.db2.gz RVNSJRTWUNFISB-IBGZPJMESA-N 0 3 399.498 4.409 50 0 GIAAHN OC[C@@]1(CCc2ccccc2)CCCN(Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000012299885 204392088 /nfs/dbraw/zinc/39/20/88/204392088.db2.gz PIYQPVHKWZCDIR-XMMPIXPASA-N 0 3 393.506 4.423 50 0 GIAAHN Cc1ccc(CN2CCC(CN(C)Cc3nccn3-c3cccc(C)c3)CC2)o1 ZINC000012305499 204393141 /nfs/dbraw/zinc/39/31/41/204393141.db2.gz GFQNDNAKGUVHBE-UHFFFAOYSA-N 0 3 392.547 4.426 50 0 GIAAHN OCCCCCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000013726987 204508127 /nfs/dbraw/zinc/50/81/27/204508127.db2.gz WTVZYHZCYWMNMG-UHFFFAOYSA-N 0 3 396.300 4.419 50 0 GIAAHN CCN1CCC(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 ZINC000014523923 204535093 /nfs/dbraw/zinc/53/50/93/204535093.db2.gz YPNVUFVZXAXJTH-UHFFFAOYSA-N 0 3 393.409 4.107 50 0 GIAAHN CCOc1cc(CN2CCCCC[C@H]2c2ccc(C)cc2)ccc1OCC(N)=O ZINC000033087223 204945578 /nfs/dbraw/zinc/94/55/78/204945578.db2.gz PKANNZXBRFZQLD-NRFANRHFSA-N 0 3 396.531 4.375 50 0 GIAAHN CCCN(Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097260 205005175 /nfs/dbraw/zinc/00/51/75/205005175.db2.gz VACSBJIKEUVPGW-SFHVURJKSA-N 0 3 393.911 4.009 50 0 GIAAHN CC[C@@H](CO)NCc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000040739220 205070653 /nfs/dbraw/zinc/07/06/53/205070653.db2.gz LYRBTIRRDISQIE-SFHVURJKSA-N 0 3 378.310 4.197 50 0 GIAAHN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000084718326 205099171 /nfs/dbraw/zinc/09/91/71/205099171.db2.gz SAAZBRKPVOBQMP-QFIPXVFZSA-N 0 3 383.511 4.377 50 0 GIAAHN OCCCNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000040743678 205071723 /nfs/dbraw/zinc/07/17/23/205071723.db2.gz WZLQEGZLMCMKNJ-UHFFFAOYSA-N 0 3 384.701 4.154 50 0 GIAAHN CCOc1cc(CNCCCCO)cc(Cl)c1OCc1cccc(C)c1 ZINC000040744318 205071741 /nfs/dbraw/zinc/07/17/41/205071741.db2.gz YZEHLSKIEHIXBE-UHFFFAOYSA-N 0 3 377.912 4.488 50 0 GIAAHN Cc1ccc(OCc2ccc(C(=O)NCc3cccc(CN(C)C)c3)o2)cc1 ZINC000046380184 205106209 /nfs/dbraw/zinc/10/62/09/205106209.db2.gz HSBIICDGPPFZQS-UHFFFAOYSA-N 0 3 378.472 4.159 50 0 GIAAHN Cc1nn(-c2ccc(F)cc2)c2c1C(C(=O)c1cccc(Cl)c1)CC(=O)N2 ZINC000046057641 205103373 /nfs/dbraw/zinc/10/33/73/205103373.db2.gz CCNPGSULXHWUFI-INIZCTEOSA-N 0 3 383.810 4.282 50 0 GIAAHN FC(F)(F)c1cccc(-n2nnnc2C2(NC3CCCCC3)CCCC2)c1 ZINC000046078261 205104906 /nfs/dbraw/zinc/10/49/06/205104906.db2.gz NRDYSUCIMDZUNT-UHFFFAOYSA-N 0 3 379.430 4.373 50 0 GIAAHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccsc1 ZINC000052804076 205135518 /nfs/dbraw/zinc/13/55/18/205135518.db2.gz WKBHDOVBMYDMIV-PGRDOPGGSA-N 0 3 397.588 4.054 50 0 GIAAHN Cc1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)n(-c2ccc(C)cc2)n1 ZINC000057553802 205159907 /nfs/dbraw/zinc/15/99/07/205159907.db2.gz RWULGGBRCWIMRY-HSZRJFAPSA-N 0 3 376.504 4.415 50 0 GIAAHN CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc21)c1cccs1 ZINC000058157491 205165401 /nfs/dbraw/zinc/16/54/01/205165401.db2.gz XOEDCHIBUTXDPE-SFHVURJKSA-N 0 3 375.501 4.468 50 0 GIAAHN C[C@@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc2ccccc21 ZINC000058170342 205167073 /nfs/dbraw/zinc/16/70/73/205167073.db2.gz MOIHWUAPRNUSTA-MRXNPFEDSA-N 0 3 387.483 4.021 50 0 GIAAHN CCCc1nc(-c2ccccc2)oc1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000064612511 205192435 /nfs/dbraw/zinc/19/24/35/205192435.db2.gz KVVKSOZHZMRUSV-UHFFFAOYSA-N 0 3 395.547 4.314 50 0 GIAAHN CC[NH+]1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(Cl)cc1)N2 ZINC000065298519 205228103 /nfs/dbraw/zinc/22/81/03/205228103.db2.gz NBQQIOBEOUTNRA-LJQANCHMSA-N 0 3 383.923 4.381 50 0 GIAAHN Cc1ccc(-c2cc([C@H]3CCN(Cc4cncnc4)C3)ccn2)c2cccnc12 ZINC000065530593 205238603 /nfs/dbraw/zinc/23/86/03/205238603.db2.gz PYFMAMAHMOIXIC-FQEVSTJZSA-N 0 3 381.483 4.385 50 0 GIAAHN O=C(Nc1ccccc1C(F)(F)F)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609024 205274907 /nfs/dbraw/zinc/27/49/07/205274907.db2.gz KTRUCMDWVBWEDM-AWEZNQCLSA-N 0 3 387.471 4.141 50 0 GIAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(CO)CC1 ZINC000072473618 205354372 /nfs/dbraw/zinc/35/43/72/205354372.db2.gz WPBPLYMGMDSWJB-UHFFFAOYSA-N 0 3 397.469 4.330 50 0 GIAAHN COc1ccc(-c2nc3c(C)cccc3cc2CN2CCC[C@H](O)C2)cc1OC ZINC000072407858 205345014 /nfs/dbraw/zinc/34/50/14/205345014.db2.gz MHCQDKFDEIQXLU-FQEVSTJZSA-N 0 3 392.499 4.184 50 0 GIAAHN CCC(C)(C)NCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000032513543 206090649 /nfs/dbraw/zinc/09/06/49/206090649.db2.gz ZTTZRMJOMGHNTE-NRFANRHFSA-N 0 3 379.504 4.151 50 0 GIAAHN CCc1ccc([C@H](CNC(=O)c2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1 ZINC000032733612 206091139 /nfs/dbraw/zinc/09/11/39/206091139.db2.gz ODXOXNRQXPAZBY-QFIPXVFZSA-N 0 3 390.531 4.084 50 0 GIAAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@@H](O)c1ccccc1)CC2 ZINC000229680441 206108627 /nfs/dbraw/zinc/10/86/27/206108627.db2.gz VVHYMQWHTKCPDC-RCZVLFRGSA-N 0 3 389.495 4.385 50 0 GIAAHN Cc1c([C@@H](C)NCc2ccc(NC(=O)c3cccnc3)cc2)cnn1C(C)C ZINC000242339092 206129243 /nfs/dbraw/zinc/12/92/43/206129243.db2.gz ZEVHHENAVBXWAU-MRXNPFEDSA-N 0 3 377.492 4.271 50 0 GIAAHN Fc1ccccc1CCNCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000247521001 206133767 /nfs/dbraw/zinc/13/37/67/206133767.db2.gz LKIDUWQMQBSDDR-UHFFFAOYSA-N 0 3 386.474 4.465 50 0 GIAAHN CCCCOCCCNCc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248160250 206135323 /nfs/dbraw/zinc/13/53/23/206135323.db2.gz KXBLJIAVNSHIQV-UHFFFAOYSA-N 0 3 396.510 4.429 50 0 GIAAHN COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc(Cl)c1[O-] ZINC000055133643 206209912 /nfs/dbraw/zinc/20/99/12/206209912.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 0 3 378.944 4.142 50 0 GIAAHN COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc(Cl)c1[O-] ZINC000055133643 206209916 /nfs/dbraw/zinc/20/99/16/206209916.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 0 3 378.944 4.142 50 0 GIAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(COc2ccccc2)cc1 ZINC000007987619 221019955 /nfs/dbraw/zinc/01/99/55/221019955.db2.gz MNCGGZVOJAUFNR-QHCPKHFHSA-N 0 3 386.495 4.270 50 0 GIAAHN CCOc1cccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012072499 221146561 /nfs/dbraw/zinc/14/65/61/221146561.db2.gz DAELTBUSUTZCIW-UHFFFAOYSA-N 0 3 396.535 4.248 50 0 GIAAHN Cc1c([C@H](C)NCc2ccc(-n3cccn3)cc2)cnn1-c1ccc(F)cc1F ZINC000012094003 221150845 /nfs/dbraw/zinc/15/08/45/221150845.db2.gz ONZHWJJNFCAWOK-HNNXBMFYSA-N 0 3 393.441 4.495 50 0 GIAAHN Cc1cc(N2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)nc(C(C)C)n1 ZINC000072159462 136167196 /nfs/dbraw/zinc/16/71/96/136167196.db2.gz PRFPNNFCZZIOPL-NRFANRHFSA-N 0 3 393.579 4.008 50 0 GIAAHN Cc1ccccc1-n1cc(CN2CCCC23CCN(c2ccccn2)CC3)cn1 ZINC000072412201 136169647 /nfs/dbraw/zinc/16/96/47/136169647.db2.gz MDBMYIXRHOUWSG-UHFFFAOYSA-N 0 3 387.531 4.211 50 0 GIAAHN Cc1cc(N2CCC(N[C@H](C)c3nccs3)CC2)nc(-c2ccccc2)n1 ZINC000095527903 136181642 /nfs/dbraw/zinc/18/16/42/136181642.db2.gz YPTUZZOWGCFDGD-MRXNPFEDSA-N 0 3 379.533 4.228 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2)CC1 ZINC000011872716 136199772 /nfs/dbraw/zinc/19/97/72/136199772.db2.gz IHKIELNUDRJZNB-UHFFFAOYSA-N 0 3 376.504 4.179 50 0 GIAAHN O=C(NCCN1CC[C@@H](c2ccccc2)C1)c1cc(C2CC2)nc2ccccc21 ZINC000426571334 534341557 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CN1CCN(CC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)CC1 ZINC000020588828 570269210 /nfs/dbraw/zinc/26/92/10/570269210.db2.gz ITHWYVODEWLLHV-HXUWFJFHSA-N 0 3 384.486 4.170 50 0 GIAAHN CN1CCC(N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706478 570275017 /nfs/dbraw/zinc/27/50/17/570275017.db2.gz JOEBNFCEYXLABM-FQEVSTJZSA-N 0 3 380.507 4.482 50 0 GIAAHN C[C@H](O)CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876449 570283410 /nfs/dbraw/zinc/28/34/10/570283410.db2.gz QJZOTYCBXFUJOQ-LBPRGKRZSA-N 0 3 384.701 4.152 50 0 GIAAHN C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2c(c1)OCCO2 ZINC000012884469 570284795 /nfs/dbraw/zinc/28/47/95/570284795.db2.gz IYTSFOGNTCMHBY-ZDUSSCGKSA-N 0 3 375.852 4.123 50 0 GIAAHN CN(Cc1ccccc1)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000020998396 570286823 /nfs/dbraw/zinc/28/68/23/570286823.db2.gz YHKPBUWFQHVVFJ-JOCHJYFZSA-N 0 3 378.495 4.312 50 0 GIAAHN CCCOc1c(Br)cc(CNC[C@@H](O)c2ccccc2)cc1OC ZINC000020932918 570288240 /nfs/dbraw/zinc/28/82/40/570288240.db2.gz 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CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000040157984 570560574 /nfs/dbraw/zinc/56/05/74/570560574.db2.gz LBILCNFABOOSAO-JLHYYAGUSA-N 0 3 378.472 4.111 50 0 GIAAHN CCN(CC)CCOc1ccc2occ(C(=O)c3cc(OC)ccc3OC)c2c1 ZINC000005509468 570618195 /nfs/dbraw/zinc/61/81/95/570618195.db2.gz IFOFOBMRFAIAQM-UHFFFAOYSA-N 0 3 397.471 4.402 50 0 GIAAHN COCCN(Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1)C(C)C ZINC000012464124 570671104 /nfs/dbraw/zinc/67/11/04/570671104.db2.gz CTIDIGRJCXRIRU-UHFFFAOYSA-N 0 3 379.504 4.405 50 0 GIAAHN CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)no2)cc1 ZINC000032622803 570707066 /nfs/dbraw/zinc/70/70/66/570707066.db2.gz TUPOIFADLHCNRH-NRFANRHFSA-N 0 3 393.487 4.081 50 0 GIAAHN Cc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)s1 ZINC000012760525 570710630 /nfs/dbraw/zinc/71/06/30/570710630.db2.gz WFFCYNLJYDWKIN-UHFFFAOYSA-N 0 3 398.507 4.482 50 0 GIAAHN Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1CN(C)C1CCN(C)CC1 ZINC000000950402 570737033 /nfs/dbraw/zinc/73/70/33/570737033.db2.gz 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ZINC000101268090 570818694 /nfs/dbraw/zinc/81/86/94/570818694.db2.gz LDVDUVVKRUVWQU-SLFFLAALSA-N 0 3 390.464 4.108 50 0 GIAAHN C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2ccccc2c1 ZINC000014123952 570823962 /nfs/dbraw/zinc/82/39/62/570823962.db2.gz MISIJWMSDPJDPA-MRXNPFEDSA-N 0 3 376.456 4.290 50 0 GIAAHN COc1ccc(CN2CCCN(c3ncnc4c5ccccc5oc43)CC2)cc1 ZINC000032860183 570860637 /nfs/dbraw/zinc/86/06/37/570860637.db2.gz UMAYKOQTRCKIJP-UHFFFAOYSA-N 0 3 388.471 4.097 50 0 GIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)c1 ZINC000102757345 570862834 /nfs/dbraw/zinc/86/28/34/570862834.db2.gz ZBLYLOUOOPRVGQ-XPWALMASSA-N 0 3 398.462 4.355 50 0 GIAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1)C1CC1 ZINC000014960647 570866858 /nfs/dbraw/zinc/86/68/58/570866858.db2.gz PMLLTJLEJAWZHX-UHFFFAOYSA-N 0 3 390.487 4.329 50 0 GIAAHN CCC(=O)NCCOc1ccc(CN(C)Cc2cccc3ccccc32)cc1 ZINC000014991913 570870375 /nfs/dbraw/zinc/87/03/75/570870375.db2.gz HTXFMNWJUHWVEV-UHFFFAOYSA-N 0 3 376.500 4.377 50 0 GIAAHN Cc1ccc(CN2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)o1 ZINC000015062710 570874550 /nfs/dbraw/zinc/87/45/50/570874550.db2.gz JQYVQDCNJFGILS-KRWDZBQOSA-N 0 3 386.923 4.301 50 0 GIAAHN COc1ccc(CN(Cc2ccc(-n3cncn3)cc2)C(C)(C)C)c(OC)c1 ZINC000097032620 570887394 /nfs/dbraw/zinc/88/73/94/570887394.db2.gz QKNPIJKAMLCTKJ-UHFFFAOYSA-N 0 3 380.492 4.085 50 0 GIAAHN O=C(Nc1ccccc1Br)NC1CCN(Cc2ccccc2)CC1 ZINC000013746116 570900923 /nfs/dbraw/zinc/90/09/23/570900923.db2.gz LQPVMHAQFVCXTB-UHFFFAOYSA-N 0 3 388.309 4.235 50 0 GIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)Cc2ccc(F)cc2)cc1 ZINC000032908708 570909464 /nfs/dbraw/zinc/90/94/64/570909464.db2.gz FFXABKCLCCKXIY-UHFFFAOYSA-N 0 3 376.475 4.413 50 0 GIAAHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccnc1 ZINC000019200301 570959426 /nfs/dbraw/zinc/95/94/26/570959426.db2.gz PORXPXAKLCYJJU-HXUWFJFHSA-N 0 3 398.890 4.146 50 0 GIAAHN COc1cc(CCCN2CCN(c3c(C)cccc3C)CC2)cc(OC)c1OC ZINC000002572967 570965754 /nfs/dbraw/zinc/96/57/54/570965754.db2.gz 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ZINC000002934065 817406842 /nfs/dbraw/zinc/40/68/42/817406842.db2.gz FCCTVLAZJJQRQG-OAHLLOKOSA-N 0 3 376.957 4.365 50 0 GIAAHN CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000176741874 823282457 /nfs/dbraw/zinc/28/24/57/823282457.db2.gz NOCZWPCFVBDHGZ-MRXNPFEDSA-N 0 3 397.906 4.157 50 0 GIAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc3nccnc23)CC1 ZINC000011762763 818117939 /nfs/dbraw/zinc/11/79/39/818117939.db2.gz RHZRMLCKQZTBMP-UHFFFAOYSA-N 0 3 389.499 4.018 50 0 GIAAHN O=C(NC[C@H]1CCCN(Cc2ccccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000011938445 818130530 /nfs/dbraw/zinc/13/05/30/818130530.db2.gz ZPXXBKSFBGFRPV-HXUWFJFHSA-N 0 3 385.511 4.391 50 0 GIAAHN Cc1ccc(-c2n[nH]cc2CN2CCC([C@H](O)c3cccnc3)CC2)cc1C ZINC000012307164 818153627 /nfs/dbraw/zinc/15/36/27/818153627.db2.gz CFJQNMYASLLQTB-QHCPKHFHSA-N 0 3 376.504 4.034 50 0 GIAAHN Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000012471494 818162492 /nfs/dbraw/zinc/16/24/92/818162492.db2.gz FYBGMJFBMMPNGE-QFIPXVFZSA-N 0 3 397.563 4.203 50 0 GIAAHN COc1ccc2c(c1)C=C(CN[C@H](C)c1cnn(-c3ccccc3)c1C)CO2 ZINC000012589863 818169264 /nfs/dbraw/zinc/16/92/64/818169264.db2.gz YQPKUPKVQWXTGG-MRXNPFEDSA-N 0 3 375.472 4.316 50 0 GIAAHN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019742143 818603982 /nfs/dbraw/zinc/60/39/82/818603982.db2.gz ZDYDXUOLYKUNGQ-XMSQKQJNSA-N 0 3 393.556 4.285 50 0 GIAAHN Fc1ccc(CNCc2cccn2-c2nnc(N3CCCCCC3)s2)cc1 ZINC000020576819 818625829 /nfs/dbraw/zinc/62/58/29/818625829.db2.gz BPZYCEXUUMQISV-UHFFFAOYSA-N 0 3 385.512 4.138 50 0 GIAAHN COc1cc2c(c(Br)c1OC)CCN(C)C[C@@H]2c1cccc(C)c1 ZINC000039930819 821123206 /nfs/dbraw/zinc/12/32/06/821123206.db2.gz NFTCTVHSUIBMII-QGZVFWFLSA-N 0 3 390.321 4.395 50 0 GIAAHN O[C@H](CNCc1c(C2CC2)nc2sccn12)c1c(Cl)cccc1Cl ZINC000181836444 822012310 /nfs/dbraw/zinc/01/23/10/822012310.db2.gz LQBHVVKXDTVWOF-CQSZACIVSA-N 0 3 382.316 4.403 50 0 GIAAHN Cc1ncsc1CN1CCC[C@H](c2nc(CCOc3cccc(C)c3)no2)C1 ZINC000169788478 823916566 /nfs/dbraw/zinc/91/65/66/823916566.db2.gz PUNLPSXUQVGAMC-KRWDZBQOSA-N 0 3 398.532 4.144 50 0 GIAAHN Cc1ncsc1CN1CCC[C@@H](c2nc(CCOc3cccc(C)c3)no2)C1 ZINC000169788477 823916686 /nfs/dbraw/zinc/91/66/86/823916686.db2.gz PUNLPSXUQVGAMC-QGZVFWFLSA-N 0 3 398.532 4.144 50 0 GIAAHN CC(C)CNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000795474 203853201 /nfs/dbraw/zinc/85/32/01/203853201.db2.gz DGJHKYICICNUHL-UHFFFAOYSA-N 0 3 380.532 4.250 50 0 GIAAHN CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(cccc2F)s1 ZINC000004359477 204041061 /nfs/dbraw/zinc/04/10/61/204041061.db2.gz CTMMJEWOKXVSPS-UHFFFAOYSA-N 0 3 377.510 4.486 50 0 GIAAHN COc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000004858147 204083230 /nfs/dbraw/zinc/08/32/30/204083230.db2.gz IKJYAPBKSORMRX-UHFFFAOYSA-N 0 3 384.303 4.442 50 0 GIAAHN COc1ccc(CCNCc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1OC ZINC000004942987 204095375 /nfs/dbraw/zinc/09/53/75/204095375.db2.gz PEBPEKGWFZSTDU-INIZCTEOSA-N 0 3 381.472 4.349 50 0 GIAAHN CC(=O)CCc1ccc(OC[C@H](O)CN[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790360 204206249 /nfs/dbraw/zinc/20/62/49/204206249.db2.gz PKVIUOPEBAKVQZ-HYBUGGRVSA-N 0 3 397.559 4.497 50 0 GIAAHN COc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000006883144 204220118 /nfs/dbraw/zinc/22/01/18/204220118.db2.gz SQWADANVTVXASS-UHFFFAOYSA-N 0 3 384.303 4.442 50 0 GIAAHN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)sc1C ZINC000006732538 204197233 /nfs/dbraw/zinc/19/72/33/204197233.db2.gz KSSISQHZDYORCA-MRXNPFEDSA-N 0 3 378.409 4.209 50 0 GIAAHN CCN1CCN(c2nc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000006774086 204203387 /nfs/dbraw/zinc/20/33/87/204203387.db2.gz URWHNJMPVZSEIF-UHFFFAOYSA-N 0 3 397.320 4.201 50 0 GIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNCCCn1cnc2ccccc21 ZINC000008710731 204284589 /nfs/dbraw/zinc/28/45/89/204284589.db2.gz CCNSFEVDXJJCDZ-UHFFFAOYSA-N 0 3 377.467 4.158 50 0 GIAAHN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@H]1CCCO1 ZINC000008133106 204262974 /nfs/dbraw/zinc/26/29/74/204262974.db2.gz MNESJBJPZLYOQI-HXUWFJFHSA-N 0 3 381.451 4.381 50 0 GIAAHN CCc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)C(C)C)cc1 ZINC000008429799 204276219 /nfs/dbraw/zinc/27/62/19/204276219.db2.gz IZROHGHBOJWGGT-QHCPKHFHSA-N 0 3 393.531 4.067 50 0 GIAAHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008535061 204278805 /nfs/dbraw/zinc/27/88/05/204278805.db2.gz OCKQABSGYPBNRI-GFCCVEGCSA-N 0 3 384.701 4.152 50 0 GIAAHN CCOc1cccc2c1OC1(CCN(CC)CC1)N1N=C(c3ccccc3)C[C@@H]21 ZINC000010214292 204332177 /nfs/dbraw/zinc/33/21/77/204332177.db2.gz JIAGMAYYPAVKPG-NRFANRHFSA-N 0 3 391.515 4.441 50 0 GIAAHN CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2ccccc2OC)CC1 ZINC000009151170 204299840 /nfs/dbraw/zinc/29/98/40/204299840.db2.gz ZMRMVMPBJLQDOV-UHFFFAOYSA-N 0 3 397.519 4.222 50 0 GIAAHN Fc1ccc2nc(C3CCN(Cc4nc(Cc5ccccc5)no4)CC3)[nH]c2c1 ZINC000011819137 204356340 /nfs/dbraw/zinc/35/63/40/204356340.db2.gz SUMUMHRVFULRJG-UHFFFAOYSA-N 0 3 391.450 4.055 50 0 GIAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000011821640 204356412 /nfs/dbraw/zinc/35/64/12/204356412.db2.gz VFVRGLYLWWBVCB-SFHVURJKSA-N 0 3 378.501 4.056 50 0 GIAAHN O=C(Nc1ccnn1C1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000011844348 204357054 /nfs/dbraw/zinc/35/70/54/204357054.db2.gz RNQCLGPFXJQOIS-UHFFFAOYSA-N 0 3 399.498 4.454 50 0 GIAAHN CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000011873994 204359607 /nfs/dbraw/zinc/35/96/07/204359607.db2.gz CHXYJONXRLIRLA-HXUWFJFHSA-N 0 3 385.939 4.181 50 0 GIAAHN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000011873995 204359982 /nfs/dbraw/zinc/35/99/82/204359982.db2.gz CHXYJONXRLIRLA-FQEVSTJZSA-N 0 3 385.939 4.181 50 0 GIAAHN CC(=O)c1cc(CC(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)cs1 ZINC000011879593 204360504 /nfs/dbraw/zinc/36/05/04/204360504.db2.gz IURJFBKEUXDAJL-OAQYLSRUSA-N 0 3 398.572 4.049 50 0 GIAAHN C[C@H](Cc1ccccc1F)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000011933630 204361800 /nfs/dbraw/zinc/36/18/00/204361800.db2.gz REONIJOXFZBDAJ-MRXNPFEDSA-N 0 3 386.515 4.275 50 0 GIAAHN CCOc1ccccc1CN1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000012022890 204367404 /nfs/dbraw/zinc/36/74/04/204367404.db2.gz SCNLTTBJWVUYSK-UHFFFAOYSA-N 0 3 384.524 4.104 50 0 GIAAHN CC(C)[C@H](N[C@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000011092910 204342576 /nfs/dbraw/zinc/34/25/76/204342576.db2.gz HJLSIHSGLKSFEG-VLIAUNLRSA-N 0 3 388.895 4.425 50 0 GIAAHN Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1 ZINC000011093675 204342934 /nfs/dbraw/zinc/34/29/34/204342934.db2.gz DURDNHKKIPNWCX-VGOFRKELSA-N 0 3 382.504 4.389 50 0 GIAAHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000011092904 204342968 /nfs/dbraw/zinc/34/29/68/204342968.db2.gz HJLSIHSGLKSFEG-VBKZILBWSA-N 0 3 388.895 4.425 50 0 GIAAHN CSC[C@@H](C)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000012297329 204390339 /nfs/dbraw/zinc/39/03/39/204390339.db2.gz PFZZGHMFVBMQKV-GOSISDBHSA-N 0 3 398.572 4.211 50 0 GIAAHN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000012304020 204392466 /nfs/dbraw/zinc/39/24/66/204392466.db2.gz UVUVGMMPAJTZCS-INIZCTEOSA-N 0 3 387.911 4.375 50 0 GIAAHN Cc1ccccc1C[C@]1(CO)CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000012316494 204395069 /nfs/dbraw/zinc/39/50/69/204395069.db2.gz PVZTYPCEKFLPDV-XMMPIXPASA-N 0 3 375.516 4.202 50 0 GIAAHN Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)N2CCCCC2)cc1 ZINC000017041142 204605447 /nfs/dbraw/zinc/60/54/47/204605447.db2.gz JUIXJUHSNRROLI-HSZRJFAPSA-N 0 3 392.499 4.387 50 0 GIAAHN COc1ccc(CC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000027741648 204861545 /nfs/dbraw/zinc/86/15/45/204861545.db2.gz KPQNSBOPTYOMTR-QHCPKHFHSA-N 0 3 380.532 4.280 50 0 GIAAHN CCc1ccc([C@@H](CNC(=O)c2nc(-c3ccccc3)oc2C)N(C)C)cc1 ZINC000032983607 204935454 /nfs/dbraw/zinc/93/54/54/204935454.db2.gz XFZZGZIEFHJSIW-HXUWFJFHSA-N 0 3 377.488 4.245 50 0 GIAAHN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(C)cc1C ZINC000036099022 205006205 /nfs/dbraw/zinc/00/62/05/205006205.db2.gz ZABMFINZWNWVCH-JOCHJYFZSA-N 0 3 387.495 4.149 50 0 GIAAHN COCCCN(Cc1cc(C)ccc1C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097412 205006291 /nfs/dbraw/zinc/00/62/91/205006291.db2.gz WMQDUBRVBGZXGU-OAQYLSRUSA-N 0 3 391.939 4.235 50 0 GIAAHN Cc1ccc(CN2CCC(c3nc(C)ccc3C(=O)N3CCCC3)CC2)cc1 ZINC000037554729 205028439 /nfs/dbraw/zinc/02/84/39/205028439.db2.gz ZGEYVDUYVQIMEU-UHFFFAOYSA-N 0 3 377.532 4.314 50 0 GIAAHN CCC[C@@H](NC(=O)C(C)S(=O)(=O)Cc1cc(C)ccc1C)c1ccccc1 ZINC000040121863 205055601 /nfs/dbraw/zinc/05/56/01/205055601.db2.gz RDQITBCRPVGNQT-WIYYLYMNSA-N 0 3 387.545 4.264 50 0 GIAAHN CCCCOCCCNCc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040732893 205068896 /nfs/dbraw/zinc/06/88/96/205068896.db2.gz GAQLNISBPJQIIT-UHFFFAOYSA-N 0 3 384.520 4.309 50 0 GIAAHN O=C1CCCN1CCCNCc1ccccc1OCc1ccc(F)cc1Cl ZINC000040732130 205069130 /nfs/dbraw/zinc/06/91/30/205069130.db2.gz NEUVDHJZALPOTM-UHFFFAOYSA-N 0 3 390.886 4.160 50 0 GIAAHN COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1cccc(C)c1 ZINC000040722264 205069303 /nfs/dbraw/zinc/06/93/03/205069303.db2.gz FGUGCQONYSXZIB-QFIPXVFZSA-N 0 3 377.484 4.406 50 0 GIAAHN O=C1CCCN1CCCNCc1ccccc1OCc1c(F)cccc1Cl ZINC000040732325 205069506 /nfs/dbraw/zinc/06/95/06/205069506.db2.gz CUYYEMZIQHSWMO-UHFFFAOYSA-N 0 3 390.886 4.160 50 0 GIAAHN CCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040742025 205071468 /nfs/dbraw/zinc/07/14/68/205071468.db2.gz AAKQMXOODSBPFK-UHFFFAOYSA-N 0 3 388.266 4.192 50 0 GIAAHN CCN(CC)[C@@H](CNC(=O)c1ccc(-c2cnco2)cc1)c1cccc(OC)c1 ZINC000047827264 205110890 /nfs/dbraw/zinc/11/08/90/205110890.db2.gz CKTMHXXKSCWTKB-NRFANRHFSA-N 0 3 393.487 4.163 50 0 GIAAHN CN(C)C(=O)c1ccc(NC(=O)CN(Cc2ccccc2)C2CCCCC2)cc1 ZINC000047659363 205111318 /nfs/dbraw/zinc/11/13/18/205111318.db2.gz BHTXAQBLCCEEOQ-UHFFFAOYSA-N 0 3 393.531 4.162 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(N2CCC(C)=N2)cc1)c1ccsc1 ZINC000048326777 205120195 /nfs/dbraw/zinc/12/01/95/205120195.db2.gz QJXPGJHILIROAE-HXUWFJFHSA-N 0 3 384.549 4.147 50 0 GIAAHN Cc1cccc(-c2ncc(CNC[C@]3(c4ccc(F)cc4)CCOC3)cn2)c1 ZINC000055326878 205147816 /nfs/dbraw/zinc/14/78/16/205147816.db2.gz YOJZVMWXSVDHGB-HSZRJFAPSA-N 0 3 377.463 4.039 50 0 GIAAHN Oc1cccc(CN(Cc2ccc(Br)cc2)C2CCC(O)CC2)c1 ZINC000058265148 205171788 /nfs/dbraw/zinc/17/17/88/205171788.db2.gz YWCWLCMCADTMTL-UHFFFAOYSA-N 0 3 390.321 4.460 50 0 GIAAHN Cc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CC[NH+](C)CC3)N2)cc1 ZINC000065298488 205227498 /nfs/dbraw/zinc/22/74/98/205227498.db2.gz YULVUEKYHJTERO-IBGZPJMESA-N 0 3 383.923 4.300 50 0 GIAAHN O=C(c1ccc(Oc2ccc(CN3CCCC3)cc2F)nc1)N1CCCCC1 ZINC000067789951 205260741 /nfs/dbraw/zinc/26/07/41/205260741.db2.gz XUAADLJJTTWGGQ-UHFFFAOYSA-N 0 3 383.467 4.235 50 0 GIAAHN Fc1ccc(N2CC[C@H](CNCc3csc(-c4ccco4)n3)C2)cc1F ZINC000069068724 205272600 /nfs/dbraw/zinc/27/26/00/205272600.db2.gz GPWBAWBDXKNLEM-CYBMUJFWSA-N 0 3 375.444 4.297 50 0 GIAAHN Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CCN(C2CCN(C)CC2)C1 ZINC000071294925 205280503 /nfs/dbraw/zinc/28/05/03/205280503.db2.gz ZVMAXLHJDKBSDN-UHFFFAOYSA-N 0 3 388.559 4.040 50 0 GIAAHN Cc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)ccc1O ZINC000071711926 205287093 /nfs/dbraw/zinc/28/70/93/205287093.db2.gz ORZRFDLHEAOKPI-OAQYLSRUSA-N 0 3 384.495 4.212 50 0 GIAAHN Cc1c(O)cccc1C(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071750697 205291485 /nfs/dbraw/zinc/29/14/85/205291485.db2.gz UPPYEDZMKNFILA-NRFANRHFSA-N 0 3 384.495 4.212 50 0 GIAAHN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@H]2CCCO2)c1 ZINC000072429332 205350236 /nfs/dbraw/zinc/35/02/36/205350236.db2.gz RURBOIFQBRUOPX-JOCHJYFZSA-N 0 3 377.488 4.159 50 0 GIAAHN CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C)C1 ZINC000072435223 205350457 /nfs/dbraw/zinc/35/04/57/205350457.db2.gz LGRCBRYWLMBKCS-HXUWFJFHSA-N 0 3 376.504 4.015 50 0 GIAAHN CN(Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)[C@@H]1CCN(C)C1 ZINC000072457389 205353170 /nfs/dbraw/zinc/35/31/70/205353170.db2.gz FZYJMLBWFIIACQ-LJQANCHMSA-N 0 3 398.913 4.468 50 0 GIAAHN Cc1cccc(-n2cc(CN(C)[C@H]3CCN(C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072470008 205353890 /nfs/dbraw/zinc/35/38/90/205353890.db2.gz GRPWEGBQWMIHTR-QFIPXVFZSA-N 0 3 378.495 4.123 50 0 GIAAHN COc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN3CCC[C@H](O)C3)cc12 ZINC000072424581 205349153 /nfs/dbraw/zinc/34/91/53/205349153.db2.gz DRWLUANKPCKQMZ-IBGZPJMESA-N 0 3 392.499 4.184 50 0 GIAAHN CC(C)c1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000082039551 205385463 /nfs/dbraw/zinc/38/54/63/205385463.db2.gz WCZPESIYJPJKFH-UHFFFAOYSA-N 0 3 375.520 4.228 50 0 GIAAHN C[C@@H](N[C@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1Br ZINC000225405882 206045418 /nfs/dbraw/zinc/04/54/18/206045418.db2.gz HCIFQZKYVSRCMR-CHWSQXEVSA-N 0 3 383.330 4.355 50 0 GIAAHN C[C@@H](N[C@@H](C)c1ccccc1Br)C1CN(C(=O)OC(C)(C)C)C1 ZINC000225405962 206046397 /nfs/dbraw/zinc/04/63/97/206046397.db2.gz HCIFQZKYVSRCMR-OLZOCXBDSA-N 0 3 383.330 4.355 50 0 GIAAHN C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000032915994 206096143 /nfs/dbraw/zinc/09/61/43/206096143.db2.gz VERGMTJWBGSBGA-DLENHJPASA-N 0 3 397.950 4.070 50 0 GIAAHN CSc1ccccc1CN1CCC(CNC(=O)CSC2CCCC2)CC1 ZINC000096025882 206113711 /nfs/dbraw/zinc/11/37/11/206113711.db2.gz JSXBIIACRAUCJJ-UHFFFAOYSA-N 0 3 392.634 4.413 50 0 GIAAHN CN(CCSc1nnc(C2CC2)n1Cc1ccccc1)Cc1ccccc1 ZINC000241435190 206126202 /nfs/dbraw/zinc/12/62/02/206126202.db2.gz NLMXTHIOZUWCOF-UHFFFAOYSA-N 0 3 378.545 4.428 50 0 GIAAHN c1[nH]nc(C2CCCCC2)c1CN1CCCC12CCN(c1ccccn1)CC2 ZINC000072425609 136169894 /nfs/dbraw/zinc/16/98/94/136169894.db2.gz UXUMOOUAPGDKMT-UHFFFAOYSA-N 0 3 379.552 4.487 50 0 GIAAHN CN(C)CCn1ccnc1C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 ZINC000095506176 136180069 /nfs/dbraw/zinc/18/00/69/136180069.db2.gz ARYUKLJRBLUZGD-UHFFFAOYSA-N 0 3 383.927 4.030 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2cccc(F)c2)nc1 ZINC000064668994 222078549 /nfs/dbraw/zinc/07/85/49/222078549.db2.gz NQZYOQIMTNAXJE-UHFFFAOYSA-N 0 3 389.474 4.282 50 0 GIAAHN O=C(NCc1cccnc1OC1CCCC1)Nc1cccc(CN2CCCC2)c1 ZINC000058059511 526771490 /nfs/dbraw/zinc/77/14/90/526771490.db2.gz WQIYITOEQHVQKW-UHFFFAOYSA-N 0 3 394.519 4.321 50 0 GIAAHN CCCc1cnc(C)nc1N1CCC(N[C@H](C)c2nc3cc(C)ccc3[nH]2)CC1 ZINC000095388906 535437020 /nfs/dbraw/zinc/43/70/20/535437020.db2.gz AYBWPNXBDSKQEV-MRXNPFEDSA-N 0 3 392.551 4.242 50 0 GIAAHN CCCc1cnc(C)nc1N1CCC(N[C@H](C)c2nc3ccc(C)cc3[nH]2)CC1 ZINC000095388906 535437022 /nfs/dbraw/zinc/43/70/22/535437022.db2.gz AYBWPNXBDSKQEV-MRXNPFEDSA-N 0 3 392.551 4.242 50 0 GIAAHN CCN1CCN(CC2=CC(C)(C)N(C(=O)c3ccccc3)c3ccccc32)CC1 ZINC000169681391 535675011 /nfs/dbraw/zinc/67/50/11/535675011.db2.gz HBKCVEFBDIZLEZ-UHFFFAOYSA-N 0 3 389.543 4.147 50 0 GIAAHN CCOc1ccc(-n2nc3c(c2C)c(C)nnc3SCCN2CCCC2)cc1 ZINC000000642653 570213600 /nfs/dbraw/zinc/21/36/00/570213600.db2.gz YVEXVFVRGDSMHQ-UHFFFAOYSA-N 0 3 397.548 4.019 50 0 GIAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1 ZINC000019812053 570221099 /nfs/dbraw/zinc/22/10/99/570221099.db2.gz PRRMPCMPCZIXTN-UHFFFAOYSA-N 0 3 382.507 4.443 50 0 GIAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000020212096 570248665 /nfs/dbraw/zinc/24/86/65/570248665.db2.gz FUYNFWCQALOYBN-NRFANRHFSA-N 0 3 399.966 4.135 50 0 GIAAHN 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/nfs/dbraw/zinc/28/48/61/570284861.db2.gz SGJHOCWINAWNOD-QFIPXVFZSA-N 0 3 388.515 4.163 50 0 GIAAHN c1cn(CCCOc2ccc(CN3CCC(c4ccncc4)CC3)cc2)cn1 ZINC000216214247 570297130 /nfs/dbraw/zinc/29/71/30/570297130.db2.gz ZMFNCFZLWAEAPF-UHFFFAOYSA-N 0 3 376.504 4.127 50 0 GIAAHN Cc1cc2c(cc(C(=O)NCCN3CCCC3)n2CCc2ccccc2)s1 ZINC000034680329 570299469 /nfs/dbraw/zinc/29/94/69/570299469.db2.gz DBQIPXLDZUFGEY-UHFFFAOYSA-N 0 3 381.545 4.080 50 0 GIAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@@H](OCc3ccccn3)C2)c1 ZINC000216530752 570303074 /nfs/dbraw/zinc/30/30/74/570303074.db2.gz IDNXWKQSHHOUAU-OAQYLSRUSA-N 0 3 376.504 4.270 50 0 GIAAHN CCCN1CCC(NC(=S)Nc2ccc(Br)cc2Cl)CC1 ZINC000002855479 570309728 /nfs/dbraw/zinc/30/97/28/570309728.db2.gz MMXDWVZCGMKADK-UHFFFAOYSA-N 0 3 390.778 4.263 50 0 GIAAHN COc1cccc(CNCCOc2ccccn2)c1OCc1ccccc1C ZINC000113395470 570331017 /nfs/dbraw/zinc/33/10/17/570331017.db2.gz MJAOEAZTPRNXNP-UHFFFAOYSA-N 0 3 378.472 4.146 50 0 GIAAHN COc1cccc(CNCCCOc2ccccn2)c1OCc1ccc(F)cc1 ZINC000113397066 570331345 /nfs/dbraw/zinc/33/13/45/570331345.db2.gz WGPRURIHSGNFIT-UHFFFAOYSA-N 0 3 396.462 4.367 50 0 GIAAHN COc1ccc(CN2CCC(O)(c3ccc(Br)cc3)CC2)cc1C ZINC000023283587 570353834 /nfs/dbraw/zinc/35/38/34/570353834.db2.gz AYEKZGFODCIQLN-UHFFFAOYSA-N 0 3 390.321 4.250 50 0 GIAAHN c1coc(-c2ccc(N3CCC(NCc4cn5ccsc5n4)CC3)cc2)c1 ZINC000023340580 570355900 /nfs/dbraw/zinc/35/59/00/570355900.db2.gz CIBMNKPLXMLAKG-UHFFFAOYSA-N 0 3 378.501 4.414 50 0 GIAAHN Fc1cccc(-c2noc3c2CN([C@H]2CCN(Cc4ccccc4)C2)CC3)c1 ZINC000023375221 570359121 /nfs/dbraw/zinc/35/91/21/570359121.db2.gz RDSSKPQNTDOJPT-FQEVSTJZSA-N 0 3 377.463 4.113 50 0 GIAAHN CN(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1csc2ccccc21 ZINC000575621778 570370620 /nfs/dbraw/zinc/37/06/20/570370620.db2.gz UHHZQJQTEFHTMI-IBGZPJMESA-N 0 3 382.504 4.491 50 0 GIAAHN Cc1cccc(C)c1-n1nnnc1C1(NCCc2ccccc2)CCCCC1 ZINC000035622162 570403936 /nfs/dbraw/zinc/40/39/36/570403936.db2.gz AYBGJDZDERDSEI-UHFFFAOYSA-N 0 3 375.520 4.271 50 0 GIAAHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000238901132 570427759 /nfs/dbraw/zinc/42/77/59/570427759.db2.gz LDVDUVVKRUVWQU-VAMGGRTRSA-N 0 3 390.464 4.108 50 0 GIAAHN C[C@H](Sc1ccc(F)cc1F)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000026883350 570429659 /nfs/dbraw/zinc/42/96/59/570429659.db2.gz GYGBLAPDQRJKRR-HNNXBMFYSA-N 0 3 390.499 4.226 50 0 GIAAHN CCCCN(CC)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000027272998 570432824 /nfs/dbraw/zinc/43/28/24/570432824.db2.gz IWPWXSUHDZITBX-UHFFFAOYSA-N 0 3 384.520 4.031 50 0 GIAAHN COc1ccccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 ZINC000027584422 570436980 /nfs/dbraw/zinc/43/69/80/570436980.db2.gz ALTYNEBCACOOQL-NRFANRHFSA-N 0 3 396.531 4.116 50 0 GIAAHN Cc1cc(C)cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 ZINC000027746785 570441684 /nfs/dbraw/zinc/44/16/84/570441684.db2.gz OXSVDMPOFDIVGU-HXUWFJFHSA-N 0 3 386.561 4.477 50 0 GIAAHN COc1ccc([C@@H](CNC(=O)c2ccccc2OC)N2CCCCCC2)cc1 ZINC000027793753 570442882 /nfs/dbraw/zinc/44/28/82/570442882.db2.gz 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570688325 /nfs/dbraw/zinc/68/83/25/570688325.db2.gz WBRUDJMIYKACGP-JOCHJYFZSA-N 0 3 389.474 4.092 50 0 GIAAHN C[C@@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc21)C(=O)N1CCCCC1 ZINC000012993668 570738986 /nfs/dbraw/zinc/73/89/86/570738986.db2.gz ZRZHCTVODUXGCZ-APWZRJJASA-N 0 3 381.545 4.352 50 0 GIAAHN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCN1CCCCCC1 ZINC000033059970 570747365 /nfs/dbraw/zinc/74/73/65/570747365.db2.gz BPFFIOLVGYYWNU-UHFFFAOYSA-N 0 3 396.560 4.310 50 0 GIAAHN COCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008469100 570769992 /nfs/dbraw/zinc/76/99/92/570769992.db2.gz VRQXMKHXEIVJMI-UHFFFAOYSA-N 0 3 384.701 4.418 50 0 GIAAHN Cc1c(Nc2ccccc/c2=N\Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000096602635 570775298 /nfs/dbraw/zinc/77/52/98/570775298.db2.gz CYRKSNUMGBQEOK-UHFFFAOYSA-N 0 3 396.494 4.329 50 0 GIAAHN C/C(=C\C(=O)N(Cc1ccccc1F)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000098009463 570775874 /nfs/dbraw/zinc/77/58/74/570775874.db2.gz YQMBJAGQBJNKTA-BMRADRMJSA-N 0 3 384.470 4.491 50 0 GIAAHN OCCCCCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000013726978 570782207 /nfs/dbraw/zinc/78/22/07/570782207.db2.gz AVHBBDWXBWRADY-UHFFFAOYSA-N 0 3 396.300 4.419 50 0 GIAAHN COc1cccc(CNCCCCCO)c1OCc1ccc(F)cc1Cl ZINC000013727271 570782310 /nfs/dbraw/zinc/78/23/10/570782310.db2.gz MQOMKNJNRVNJCW-UHFFFAOYSA-N 0 3 381.875 4.319 50 0 GIAAHN c1nn2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc2c1-c1ccncc1 ZINC000013829435 570793831 /nfs/dbraw/zinc/79/38/31/570793831.db2.gz XHBVYDAKJHETMP-UHFFFAOYSA-N 0 3 399.498 4.323 50 0 in-vivo GIAAHN CCN1CCN(c2ccc(NC(=O)c3cc4ccc(C)cc4[nH]3)cc2C)CC1 ZINC000012526835 570831717 /nfs/dbraw/zinc/83/17/17/570831717.db2.gz DXPKUQLOOLVVSE-UHFFFAOYSA-N 0 3 376.504 4.179 50 0 GIAAHN Cc1cc(CN2CCC(CNC(=O)CSCc3ccccc3)CC2)c(C)o1 ZINC000043972658 570847377 /nfs/dbraw/zinc/84/73/77/570847377.db2.gz VURQZCZWXONRIQ-UHFFFAOYSA-N 0 3 386.561 4.158 50 0 GIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 ZINC000102723275 570858666 /nfs/dbraw/zinc/85/86/66/570858666.db2.gz 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COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000097141097 570899784 /nfs/dbraw/zinc/89/97/84/570899784.db2.gz BQZYCSZDBNSNBU-KYNGSXCRSA-N 0 3 386.467 4.096 50 0 GIAAHN CC(C)[C@H]1C=CCN1C(=O)c1ccc(-c2ccccc2OCCN(C)C)cc1 ZINC000534645950 570910395 /nfs/dbraw/zinc/91/03/95/570910395.db2.gz UGNSEVUEHDMAPD-JOCHJYFZSA-N 0 3 378.516 4.331 50 0 GIAAHN Cc1cccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c1 ZINC000104972867 570910754 /nfs/dbraw/zinc/91/07/54/570910754.db2.gz UWHWBYHOVJPZKS-IRLDBZIGSA-N 0 3 389.923 4.069 50 0 GIAAHN CC(C)c1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127725 570913411 /nfs/dbraw/zinc/91/34/11/570913411.db2.gz UKVKPJOXAZPWPN-UHFFFAOYSA-N 0 3 392.590 4.062 50 0 GIAAHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1C ZINC000016362755 570923628 /nfs/dbraw/zinc/92/36/28/570923628.db2.gz BQONMZNBOZIJLT-JOCHJYFZSA-N 0 3 377.484 4.406 50 0 GIAAHN CC(C)[C@H](NCC(=O)NCCC1=CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000016695682 570931381 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O=C(c1ccc(-c2ccc(F)cc2[O-])cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000426442463 534680619 /nfs/dbraw/zinc/68/06/19/534680619.db2.gz ASUIRLINIAMJBO-FQEVSTJZSA-N 0 3 382.479 4.289 50 0 GIAAHN Fc1ccccc1CN1CCC(CN(Cc2ccccn2)C[C@@H]2CCCO2)CC1 ZINC000023153285 526411129 /nfs/dbraw/zinc/41/11/29/526411129.db2.gz YYHOCWSFGWTSMB-QHCPKHFHSA-N 0 3 397.538 4.114 50 0 GIAAHN CCCc1cnc(C)nc1N1CCC(N[C@@H](C)c2nc3cc(C)ccc3[nH]2)CC1 ZINC000095388905 535436285 /nfs/dbraw/zinc/43/62/85/535436285.db2.gz AYBWPNXBDSKQEV-INIZCTEOSA-N 0 3 392.551 4.242 50 0 GIAAHN CCCc1cnc(C)nc1N1CCC(N[C@@H](C)c2nc3ccc(C)cc3[nH]2)CC1 ZINC000095388905 535436290 /nfs/dbraw/zinc/43/62/90/535436290.db2.gz AYBWPNXBDSKQEV-INIZCTEOSA-N 0 3 392.551 4.242 50 0 GIAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc(-c3nccs3)cc2)o1 ZINC000048290470 570229003 /nfs/dbraw/zinc/22/90/03/570229003.db2.gz BZGQTTWUNUSBAX-UHFFFAOYSA-N 0 3 384.505 4.307 50 0 GIAAHN COc1cc(CNCc2ccc(-c3ccccc3F)s2)ccc1OCCO ZINC000048784399 570254607 /nfs/dbraw/zinc/25/46/07/570254607.db2.gz 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ZINC000136132685 570472158 /nfs/dbraw/zinc/47/21/58/570472158.db2.gz QKTVQSXOOWUXFK-XUVXKRRUSA-N 0 3 390.464 4.108 50 0 GIAAHN Cc1cc(=O)[nH]c2ccc(-c3ccc(C(=O)N[C@H](C)CN4CCCC4)cc3)cc12 ZINC000584891008 570474417 /nfs/dbraw/zinc/47/44/17/570474417.db2.gz LXHRLPVKXHBBEW-QGZVFWFLSA-N 0 3 389.499 4.130 50 0 GIAAHN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)NC2(C)C ZINC000006732596 570491218 /nfs/dbraw/zinc/49/12/18/570491218.db2.gz ZULOCXQXAOBPLB-UHFFFAOYSA-N 0 3 386.517 4.337 50 0 GIAAHN COc1cccc(CNC(C)(C)CO)c1OCc1ccc(Cl)cc1Cl ZINC000006883180 570498225 /nfs/dbraw/zinc/49/82/25/570498225.db2.gz OZHGQHPRHPZZIR-UHFFFAOYSA-N 0 3 384.303 4.442 50 0 GIAAHN O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000064666593 570514319 /nfs/dbraw/zinc/51/43/19/570514319.db2.gz IVTHEWKBJLSUAA-UHFFFAOYSA-N 0 3 387.527 4.180 50 0 GIAAHN Brc1cc2c(cc1CNCCCn1ccc3ccccc31)OCO2 ZINC000006650911 570519566 /nfs/dbraw/zinc/51/95/66/570519566.db2.gz NESNPJOGHCVKSD-UHFFFAOYSA-N 0 3 387.277 4.312 50 0 GIAAHN CCCCn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21 ZINC000006721442 570550015 /nfs/dbraw/zinc/55/00/15/570550015.db2.gz NQOSVJRXHKZXHD-UHFFFAOYSA-N 0 3 387.528 4.497 50 0 aggregator GIAAHN CC(C)C(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(N(C)C)cc2)=NO1 ZINC000006723236 570551928 /nfs/dbraw/zinc/55/19/28/570551928.db2.gz YBBZIFHCKHOYRV-FQEVSTJZSA-N 0 3 397.494 4.070 50 0 GIAAHN COc1ccc(-c2nc3c(c(SCCN4CCCC4)n2)COC(C)(C)C3)cc1 ZINC000005324614 570553911 /nfs/dbraw/zinc/55/39/11/570553911.db2.gz PMINOENIDLXYGN-UHFFFAOYSA-N 0 3 399.560 4.191 50 0 GIAAHN Cc1c2c(nn1-c1ccccc1Cl)c(SCCN1CCCC1)nnc2C ZINC000036646284 570567582 /nfs/dbraw/zinc/56/75/82/570567582.db2.gz ATWOBPRXKWQMHB-UHFFFAOYSA-N 0 3 387.940 4.274 50 0 GIAAHN COc1cccc(CNCCCn2ccnc2)c1OCc1ccccc1Cl ZINC000010313996 570568505 /nfs/dbraw/zinc/56/85/05/570568505.db2.gz LIJSOTOYMBFBNM-UHFFFAOYSA-N 0 3 385.895 4.304 50 0 GIAAHN C[C@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1Br ZINC000225405925 570570312 /nfs/dbraw/zinc/57/03/12/570570312.db2.gz 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Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](CC(C)C)[C@@H]2C1=O ZINC000226984045 570647656 /nfs/dbraw/zinc/64/76/56/570647656.db2.gz JUUJKPHJIMKYQY-SLFFLAALSA-N 0 3 398.890 4.373 50 0 GIAAHN CCOc1cc(CN2CCC[C@](CO)(Cc3ccccc3C)C2)ccc1OC ZINC000012385559 570650422 /nfs/dbraw/zinc/65/04/22/570650422.db2.gz VCLODFQXSQDADF-DEOSSOPVSA-N 0 3 383.532 4.220 50 0 GIAAHN CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(CCCC(F)(F)F)C1 ZINC000012386330 570651331 /nfs/dbraw/zinc/65/13/31/570651331.db2.gz AMTBZQFYORMDDI-LJQANCHMSA-N 0 3 387.442 4.443 50 0 GIAAHN COc1cccc(N2C[C@@H]3C[C@@H](c4cccc5cnccc54)N4CCC[C@@]34C2=O)c1 ZINC000012477132 570673711 /nfs/dbraw/zinc/67/37/11/570673711.db2.gz ZRXTYFOSNPVJBI-WYRQLCSISA-N 0 3 399.494 4.186 50 0 GIAAHN CN(c1ccc(NC(=O)c2ccccc2OCC2CC2)cc1)C1CCN(C)CC1 ZINC000154517574 570685291 /nfs/dbraw/zinc/68/52/91/570685291.db2.gz AWPDEONVIAJASZ-UHFFFAOYSA-N 0 3 393.531 4.258 50 0 GIAAHN c1ccc2sc(N3CCC[C@@H](NCc4ccc5nsnc5c4)C3)nc2c1 ZINC000055271801 570689833 /nfs/dbraw/zinc/68/98/33/570689833.db2.gz GQYHHZASJSJYPV-CQSZACIVSA-N 0 3 381.530 4.060 50 0 GIAAHN CC(C)Cc1noc([C@@H]2CCCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 ZINC000055568729 570697451 /nfs/dbraw/zinc/69/74/51/570697451.db2.gz YLYBVLQKCIOHQB-MRXNPFEDSA-N 0 3 383.471 4.177 50 0 GIAAHN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000012710699 570702231 /nfs/dbraw/zinc/70/22/31/570702231.db2.gz MQGPWKNSPVXRDQ-UHFFFAOYSA-N 0 3 394.515 4.033 50 0 GIAAHN CC(C)CCO[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000057994338 570705871 /nfs/dbraw/zinc/70/58/71/570705871.db2.gz QGJRJYOAIZIGPC-IBGZPJMESA-N 0 3 382.548 4.483 50 0 GIAAHN CC(C)c1nc(C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)cs1 ZINC000012760924 570710578 /nfs/dbraw/zinc/71/05/78/570710578.db2.gz TVWIUEPWYMCCQX-UHFFFAOYSA-N 0 3 385.577 4.293 50 0 GIAAHN Cc1ccccc1Cc1cnc(NC(=O)C2Oc3ccccc3O[C@@H]2C)s1 ZINC000058378109 570729657 /nfs/dbraw/zinc/72/96/57/570729657.db2.gz RAPGIPGNNDEGHX-AUUYWEPGSA-N 0 3 380.469 4.209 50 0 GIAAHN Cc1ccc(CN2CCCN(c3ncccc3-c3nc(C(C)C)no3)CC2)cc1 ZINC000065257912 570758940 /nfs/dbraw/zinc/75/89/40/570758940.db2.gz GNFLNQKDQZPWDM-UHFFFAOYSA-N 0 3 391.519 4.276 50 0 GIAAHN OC1CCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000013637061 570765103 /nfs/dbraw/zinc/76/51/03/570765103.db2.gz USLRKELXJYFECS-UHFFFAOYSA-N 0 3 387.483 4.301 50 0 GIAAHN COCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008469120 570770498 /nfs/dbraw/zinc/77/04/98/570770498.db2.gz APQGXPOACMBIGH-UHFFFAOYSA-N 0 3 384.701 4.418 50 0 GIAAHN Brc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000010474475 570790943 /nfs/dbraw/zinc/79/09/43/570790943.db2.gz MUXMEDOBLKEMOI-KRWDZBQOSA-N 0 3 376.294 4.297 50 0 GIAAHN COc1cc(Br)c(CNC2C3CC4CC(C3)CC2C4)cc1OC ZINC000004685535 570830193 /nfs/dbraw/zinc/83/01/93/570830193.db2.gz WHGMKLNEBXVJDE-UHFFFAOYSA-N 0 3 380.326 4.381 50 0 GIAAHN Cc1cc(CN2CCC(CNC(=O)CSc3ccc(F)cc3)CC2)c(C)o1 ZINC000043972673 570847402 /nfs/dbraw/zinc/84/74/02/570847402.db2.gz XTHIADYRKFUCJI-UHFFFAOYSA-N 0 3 390.524 4.156 50 0 GIAAHN C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2CCC(c3ccccc3)CC2)CC1 ZINC000170602734 570861336 /nfs/dbraw/zinc/86/13/36/570861336.db2.gz MDEXAJGMOQFKAI-ZJOBEGKPSA-N 0 3 397.607 4.025 50 0 GIAAHN C[C@@H](OC[C@@H](O)CN1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032895620 570887178 /nfs/dbraw/zinc/88/71/78/570887178.db2.gz NWZKWPVUZHVZCA-ZHRRBRCNSA-N 0 3 389.923 4.364 50 0 GIAAHN Cc1ccc(N2C(=O)C[C@@H](NCCC34CC5CC(CC(C5)C3)C4)C2=O)c(C)c1 ZINC000004573564 570898297 /nfs/dbraw/zinc/89/82/97/570898297.db2.gz WXCIDYXAKIODNC-LOXVZWDBSA-N 0 3 380.532 4.131 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000014323105 570904615 /nfs/dbraw/zinc/90/46/15/570904615.db2.gz XTULLBVBQKLIHZ-UHFFFAOYSA-N 0 3 395.890 4.389 50 0 GIAAHN COc1ccc([C@H](CNC(=S)Nc2cc(C)ccc2C)N2CCCC2)cc1 ZINC000007583783 570949084 /nfs/dbraw/zinc/94/90/84/570949084.db2.gz RLKDTMRHWCGBFH-NRFANRHFSA-N 0 3 383.561 4.436 50 0 GIAAHN C[C@H]1CCCN(Cc2cn3c(nnc3-c3cccc(Br)c3)s2)C1 ZINC000004107095 570951348 /nfs/dbraw/zinc/95/13/48/570951348.db2.gz YQESBIHHLCIMEP-LBPRGKRZSA-N 0 3 391.338 4.452 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(Cl)cc1F)c1cccc(OC)c1 ZINC000012749502 570997928 /nfs/dbraw/zinc/99/79/28/570997928.db2.gz KSTPGNVXQRSCEH-LJQANCHMSA-N 0 3 378.875 4.301 50 0 GIAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Br)cc1 ZINC000007686967 571016295 /nfs/dbraw/zinc/01/62/95/571016295.db2.gz GAHAKULLMXLRNU-OAHLLOKOSA-N 0 3 379.323 4.078 50 0 GIAAHN CCC(C)(C)NCC(=O)Nc1c(Br)cc(C)cc1Br ZINC000012785150 571038069 /nfs/dbraw/zinc/03/80/69/571038069.db2.gz ADEPIYQWSRSZHZ-UHFFFAOYSA-N 0 3 392.135 4.237 50 0 GIAAHN C/C=C/c1ccc(OC[C@@H](O)CN(C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000002624416 817393195 /nfs/dbraw/zinc/39/31/95/817393195.db2.gz BZDGCTZQNFLBHE-UEKDZROGSA-N 0 3 387.545 4.322 50 0 GIAAHN COc1ccc(C[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000005587087 817598780 /nfs/dbraw/zinc/59/87/80/817598780.db2.gz OHWNYQSDSYNAEV-INIZCTEOSA-N 0 3 378.438 4.467 50 0 GIAAHN CCOC(=O)c1ccccc1NC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000057435581 823296887 /nfs/dbraw/zinc/29/68/87/823296887.db2.gz HCJAWUHXGKCRCD-INIZCTEOSA-N 0 3 376.456 4.306 50 0 GIAAHN Cc1cc(C)cc(NC(=O)[C@@H]2CC23CCN(Cc2ccc4c(c2)OCO4)CC3)c1 ZINC000011965452 818132880 /nfs/dbraw/zinc/13/28/80/818132880.db2.gz CVOFOVYWPNHWOI-FQEVSTJZSA-N 0 3 392.499 4.273 50 0 GIAAHN COc1ccccc1NC(=O)[C@@H]1CC12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000011969991 818133497 /nfs/dbraw/zinc/13/34/97/818133497.db2.gz XHOCGICDYBRUCH-IBGZPJMESA-N 0 3 389.499 4.417 50 0 GIAAHN COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2CN(C)C)cc1 ZINC000012282953 818153164 /nfs/dbraw/zinc/15/31/64/818153164.db2.gz HCZRRCYDJUONKK-UHFFFAOYSA-N 0 3 390.483 4.441 50 0 GIAAHN Cn1cc(CN2CCC([C@H](O)c3cccnc3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012308674 818154262 /nfs/dbraw/zinc/15/42/62/818154262.db2.gz UOXKDHCGUZKZOT-QFIPXVFZSA-N 0 3 396.922 4.081 50 0 GIAAHN COc1cccc([C@H](CNc2nc(-c3ccncc3)nc3ccccc32)N(C)C)c1 ZINC000040040260 821127146 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CC(=O)c1ccc(C(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)cc1 ZINC000012580808 570684005 /nfs/dbraw/zinc/68/40/05/570684005.db2.gz SJAXHGJDWZJKIM-UHFFFAOYSA-N 0 3 396.506 4.055 50 0 GIAAHN Cc1ncsc1CCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2 ZINC000012590474 570686670 /nfs/dbraw/zinc/68/66/70/570686670.db2.gz ZDWWQYADUVMUEA-HSZRJFAPSA-N 0 3 397.588 4.207 50 0 GIAAHN Cc1cccc2nc(C(=O)NCc3ccccc3-c3ccc(CN(C)C)cc3)cn21 ZINC000012627512 570692030 /nfs/dbraw/zinc/69/20/30/570692030.db2.gz FLVLSTXPVNLKLD-UHFFFAOYSA-N 0 3 398.510 4.301 50 0 GIAAHN COc1ccc([C@H](CNC(=O)Nc2ccc(N3CCCC3)cc2C)N(C)C)cc1 ZINC000057991994 570705877 /nfs/dbraw/zinc/70/58/77/570705877.db2.gz YHSKUTPLIQYDNG-QFIPXVFZSA-N 0 3 396.535 4.028 50 0 GIAAHN COc1cc(C)ccc1Oc1ccc(NC(=O)NCCN2CCC[C@@H](C)C2)cn1 ZINC000058112234 570709835 /nfs/dbraw/zinc/70/98/35/570709835.db2.gz MWTNBZLCHIPDBP-QGZVFWFLSA-N 0 3 398.507 4.044 50 0 GIAAHN O=C(N[C@@H]1CCc2ccccc21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000058168030 570714210 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GIAAHN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)cc1 ZINC000000934758 206334418 /nfs/dbraw/zinc/33/44/18/206334418.db2.gz VPRJBJBOZANNAB-FQEVSTJZSA-N 0 3 397.906 4.314 50 0 GIAAHN C[C@H](c1cccnc1)N(CCN(C)C)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000002934072 206447403 /nfs/dbraw/zinc/44/74/03/206447403.db2.gz MJKZPYFFTIHZFA-CQSZACIVSA-N 0 3 396.482 4.422 50 0 GIAAHN COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(F)cc1Cl ZINC000004998062 206580978 /nfs/dbraw/zinc/58/09/78/206580978.db2.gz SWHKTNRHWQQQAE-QGZVFWFLSA-N 0 3 379.859 4.335 50 0 GIAAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000011840793 206835370 /nfs/dbraw/zinc/83/53/70/206835370.db2.gz KYQHDWBVZXYREI-XMMPIXPASA-N 0 3 379.500 4.277 50 0 GIAAHN COc1cccc(CN2CCC[C@]3(CCN(Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981489 207038329 /nfs/dbraw/zinc/03/83/29/207038329.db2.gz MKRQXDJUTDXHHF-QHCPKHFHSA-N 0 3 384.520 4.093 50 0 GIAAHN Cc1cccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000014986475 207039500 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Cc1ccc(N2CCC3(CCCN3Cc3ccc([C@H]4CCCO4)s3)CC2)nn1 ZINC000072424263 136169823 /nfs/dbraw/zinc/16/98/23/136169823.db2.gz LQQFKZBPZLMXEH-LJQANCHMSA-N 0 3 398.576 4.333 50 0 GIAAHN CCc1ncc(CN2CCCC23CCN(c2ccc4ncccc4c2)CC3)cn1 ZINC000072435805 136170356 /nfs/dbraw/zinc/17/03/56/136170356.db2.gz NYGBDRPCQMRIKF-UHFFFAOYSA-N 0 3 387.531 4.222 50 0 GIAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095500698 535936987 /nfs/dbraw/zinc/93/69/87/535936987.db2.gz MNNNYZDLANWXKU-QGZVFWFLSA-N 0 3 383.927 4.030 50 0 GIAAHN CC(C)CC(=O)Nc1ccc(NC(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000048325026 570235997 /nfs/dbraw/zinc/23/59/97/570235997.db2.gz KONAGHPIXCRGDD-UHFFFAOYSA-N 0 3 382.508 4.055 50 0 GIAAHN Cc1cc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)n(-c2ccccc2)n1 ZINC000012874957 570274362 /nfs/dbraw/zinc/27/43/62/570274362.db2.gz IXDIIVGGVQSRJY-JOCHJYFZSA-N 0 3 380.467 4.245 50 0 GIAAHN Cc1cc([C@@H]2C[C@H](C(=O)NC3CC3)CN(Cc3ccc(F)cc3)C2)ccc1F ZINC000034716646 570319577 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COc1cc(CNC[C@H]2CCCO2)ccc1OCc1c(F)cccc1Cl ZINC000005019812 570424419 /nfs/dbraw/zinc/42/44/19/570424419.db2.gz HAYMRRFMNMTFMJ-OAHLLOKOSA-N 0 3 379.859 4.335 50 0 GIAAHN CC1CCN(C[C@@H](O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000005043778 570425531 /nfs/dbraw/zinc/42/55/31/570425531.db2.gz VWFHIXLNODBBMO-HXUWFJFHSA-N 0 3 387.907 4.043 50 0 GIAAHN CN(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000248040778 570436314 /nfs/dbraw/zinc/43/63/14/570436314.db2.gz VPSSYFMTEWWHDP-IPMKNSEASA-N 0 3 376.422 4.228 50 0 GIAAHN CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCN(C)C)c23)CO1 ZINC000005157599 570442390 /nfs/dbraw/zinc/44/23/90/570442390.db2.gz JZQLBEVXCYUYNN-IBGZPJMESA-N 0 3 394.610 4.407 50 0 GIAAHN CCOC(=O)C1CCN([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000054260519 570461077 /nfs/dbraw/zinc/46/10/77/570461077.db2.gz YAFFHMFPCAPMJM-QFIPXVFZSA-N 0 3 377.488 4.236 50 0 GIAAHN CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccccc1C ZINC000002693641 570505019 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Cc1ccccc1CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057622227 823316199 /nfs/dbraw/zinc/31/61/99/823316199.db2.gz PBFOOXZUJUULSF-UHFFFAOYSA-N 0 3 399.538 4.498 50 0 GIAAHN Fc1ccc(Nc2ncc(CN3CCC[C@@H](Cn4ccnc4)C3)s2)c(F)c1 ZINC000023340430 818924151 /nfs/dbraw/zinc/92/41/51/818924151.db2.gz YWVWFLHZTUQFNJ-CQSZACIVSA-N 0 3 389.475 4.274 50 0 GIAAHN Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1ccco1)N1CCCCC1 ZINC000039979597 821123938 /nfs/dbraw/zinc/12/39/38/821123938.db2.gz MIMUTVNMHSRQOW-JOCHJYFZSA-N 0 3 378.520 4.399 50 0 GIAAHN COc1cccc(CN2CC[C@H](N(C)[C@H](C)c3nc(C)cs3)CCC2=O)c1 ZINC000043151259 821369097 /nfs/dbraw/zinc/36/90/97/821369097.db2.gz JPWWHLFNBDHYSB-SJLPKXTDSA-N 0 3 387.549 4.034 50 0 GIAAHN COc1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc(Cl)c1[O-] ZINC000055133646 209112510 /nfs/dbraw/zinc/11/25/10/209112510.db2.gz RSUHQZIEPNTZEA-OAQYLSRUSA-N 0 3 378.944 4.142 50 0 GIAAHN COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc(Cl)c1[O-] ZINC000055133646 209112514 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Cc1ccc2c(c1)cc(CNCCc1ccccn1)c(=O)n2Cc1ccccc1C ZINC000014882852 207031737 /nfs/dbraw/zinc/03/17/37/207031737.db2.gz IFZYVEVKEYWPKH-UHFFFAOYSA-N 0 3 397.522 4.394 50 0 GIAAHN COc1ccc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cc1F ZINC000014957443 207032746 /nfs/dbraw/zinc/03/27/46/207032746.db2.gz AJUZKPSQZKTMAS-FQEVSTJZSA-N 0 3 384.495 4.004 50 0 GIAAHN CSc1ccccc1C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000014952118 207032864 /nfs/dbraw/zinc/03/28/64/207032864.db2.gz SRWBDBXURONDSD-UHFFFAOYSA-N 0 3 382.573 4.435 50 0 GIAAHN CCCCc1ncc(CN2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)[nH]1 ZINC000015078155 207046344 /nfs/dbraw/zinc/04/63/44/207046344.db2.gz LSJHKCPZJNUBHF-UHFFFAOYSA-N 0 3 396.579 4.403 50 0 GIAAHN COc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)N2CCCC2)cc1 ZINC000017911476 207091236 /nfs/dbraw/zinc/09/12/36/207091236.db2.gz GNBVJYRVVGSSLV-XMMPIXPASA-N 0 3 388.511 4.344 50 0 GIAAHN Clc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019361678 207118587 /nfs/dbraw/zinc/11/85/87/207118587.db2.gz 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COc1ccc(-n2ncc([C@H](C)NCc3cccn3-c3cccnc3)c2C)cc1 ZINC000011822128 570586264 /nfs/dbraw/zinc/58/62/64/570586264.db2.gz JBBOYVINTYTFQM-KRWDZBQOSA-N 0 3 387.487 4.226 50 0 GIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(Br)cc1 ZINC000005446799 570594744 /nfs/dbraw/zinc/59/47/44/570594744.db2.gz LFAXXHBSTAKRQR-MJGOQNOKSA-N 0 3 385.305 4.206 50 0 GIAAHN COc1ccc(CN2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1Cn1cccn1 ZINC000012051066 570600861 /nfs/dbraw/zinc/60/08/61/570600861.db2.gz UOXLQZMSMJBDBF-JOCHJYFZSA-N 0 3 394.494 4.156 50 0 GIAAHN CCOc1cc(CNCCN(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000040720230 570604915 /nfs/dbraw/zinc/60/49/15/570604915.db2.gz XNPJANXDIDRASG-UHFFFAOYSA-N 0 3 380.891 4.108 50 0 GIAAHN CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040720511 570605230 /nfs/dbraw/zinc/60/52/30/570605230.db2.gz WMAZCOITWINIQT-UHFFFAOYSA-N 0 3 376.928 4.277 50 0 GIAAHN CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1C ZINC000040741892 570611493 /nfs/dbraw/zinc/61/14/93/570611493.db2.gz KFUBASHWXHVHRF-UHFFFAOYSA-N 0 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Cc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccnc(Cl)c4)C3)C2)c1 ZINC000012715091 570704174 /nfs/dbraw/zinc/70/41/74/570704174.db2.gz RQGJNIZLXRHCNC-QFIPXVFZSA-N 0 3 383.923 4.172 50 0 GIAAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3cccc4cnccc43)C2)cc1OC ZINC000012715647 570704361 /nfs/dbraw/zinc/70/43/61/570704361.db2.gz QBINGCHOTFZKRW-FQEVSTJZSA-N 0 3 390.483 4.347 50 0 GIAAHN CC(C)CCO[C@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000057994340 570706045 /nfs/dbraw/zinc/70/60/45/570706045.db2.gz QGJRJYOAIZIGPC-LJQANCHMSA-N 0 3 382.548 4.483 50 0 GIAAHN Cc1ccc(C)c(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012744769 570707545 /nfs/dbraw/zinc/70/75/45/570707545.db2.gz OFVNXGGLRVCXPE-UHFFFAOYSA-N 0 3 380.536 4.466 50 0 GIAAHN COc1ccc2oc(C)c(C(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)c2c1 ZINC000058114991 570709725 /nfs/dbraw/zinc/70/97/25/570709725.db2.gz SKEINOBWAHOWGW-IBGZPJMESA-N 0 3 392.499 4.392 50 0 GIAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000012759345 570710719 /nfs/dbraw/zinc/71/07/19/570710719.db2.gz BCVTVXOESUQTEP-BJKOFHAPSA-N 0 3 394.534 4.342 50 0 GIAAHN CN(C)[C@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1ccccc1 ZINC000012798898 570716979 /nfs/dbraw/zinc/71/69/79/570716979.db2.gz MFRAURFGDVVZOH-HNNXBMFYSA-N 0 3 395.728 4.005 50 0 GIAAHN Cc1ccc(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)c(C)c1 ZINC000065256373 570755017 /nfs/dbraw/zinc/75/50/17/570755017.db2.gz QKISLQHEFJNFQI-JOCHJYFZSA-N 0 3 386.499 4.102 50 0 GIAAHN COc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCC[NH2+]2)c(Cl)c1[O-] ZINC000065425561 570767983 /nfs/dbraw/zinc/76/79/83/570767983.db2.gz LMIGNLVAWQLJFO-OAHLLOKOSA-N 0 3 383.879 4.337 50 0 GIAAHN Cc1ccc(COc2ccc(Cl)cc2CNCCCN2CCCC2=O)cc1 ZINC000013727980 570782164 /nfs/dbraw/zinc/78/21/64/570782164.db2.gz GKEHTMKDGXBHEC-UHFFFAOYSA-N 0 3 386.923 4.330 50 0 GIAAHN Cc1nccn1CCN1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067774625 570790698 /nfs/dbraw/zinc/79/06/98/570790698.db2.gz MVJFXNDSUKLSEM-UHFFFAOYSA-N 0 3 383.499 4.307 50 0 GIAAHN COc1ccc([C@@H](CNC(=O)C2(c3ccc(F)cc3)CCCC2)N(C)C)cc1 ZINC000036750510 570807839 /nfs/dbraw/zinc/80/78/39/570807839.db2.gz CYIMSVIQLINBGH-OAQYLSRUSA-N 0 3 384.495 4.065 50 0 GIAAHN CC(C)[C@H](C)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)C1CC1 ZINC000032825570 570839670 /nfs/dbraw/zinc/83/96/70/570839670.db2.gz SFRMHSHOOOHJHY-SFHVURJKSA-N 0 3 393.531 4.064 50 0 GIAAHN CCC[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)C2ON1c1ccccc1 ZINC000102731068 570859506 /nfs/dbraw/zinc/85/95/06/570859506.db2.gz CGVSMVAPPLMWHE-YPAWHYETSA-N 0 3 386.451 4.318 50 0 GIAAHN CC(C)[C@H](NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000032869470 570864454 /nfs/dbraw/zinc/86/44/54/570864454.db2.gz XDSWKBFGYYXMMU-QHCPKHFHSA-N 0 3 394.515 4.181 50 0 GIAAHN Cc1ccc(NC2CCN(C)CC2)cc1NC(=O)CCCOc1ccccc1F ZINC000170607743 570864639 /nfs/dbraw/zinc/86/46/39/570864639.db2.gz CMKVFMDQSZHJII-UHFFFAOYSA-N 0 3 399.510 4.438 50 0 GIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000032908714 570909469 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CC[C@H](C)c1ccc([C@H](NCC(=O)Nc2cccc(C(=O)NC)c2)C(C)C)cc1 ZINC000007719244 571020748 /nfs/dbraw/zinc/02/07/48/571020748.db2.gz PSLBHARZHXDQPS-GAJHUEQPSA-N 0 3 395.547 4.485 50 0 GIAAHN CC(C)Cc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1 ZINC000007875342 817946276 /nfs/dbraw/zinc/94/62/76/817946276.db2.gz HYEJCFTXTZWQEJ-VGOFRKELSA-N 0 3 395.547 4.298 50 0 GIAAHN COc1cccc(C[C@]2(CO)CCCN(C/C=C/c3ccccc3OC)C2)c1 ZINC000013594389 818213907 /nfs/dbraw/zinc/21/39/07/818213907.db2.gz LCASWJPGEVBKPS-JHEAYKPVSA-N 0 3 381.516 4.034 50 0 GIAAHN COCCN(C)Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000014965493 818279702 /nfs/dbraw/zinc/27/97/02/818279702.db2.gz JGSYGFKDHBSVRX-UHFFFAOYSA-N 0 3 383.467 4.074 50 0 GIAAHN COCc1ccc(CN2CCC[C@@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)o1 ZINC000019773677 818605085 /nfs/dbraw/zinc/60/50/85/818605085.db2.gz QACBWRADOTZUPE-CQSZACIVSA-N 0 3 387.430 4.474 50 0 GIAAHN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CCSCC3)cc2)[nH]1 ZINC000023478528 818944726 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CC(C)(C)CN1CCC[C@]2(CCN(Cc3coc(-c4ccccc4)n3)C2)C1=O ZINC000015080654 210152859 /nfs/dbraw/zinc/15/28/59/210152859.db2.gz LJJSEXLDOYTIHI-HSZRJFAPSA-N 0 3 381.520 4.202 50 0 GIAAHN CN(C(=O)c1ccc2cccc(F)c2n1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000015073075 210149589 /nfs/dbraw/zinc/14/95/89/210149589.db2.gz NKTRGECGUDDAPG-FQEVSTJZSA-N 0 3 391.490 4.153 50 0 GIAAHN CCOC(=O)N1CCC(N2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)CC1 ZINC000015067029 210148772 /nfs/dbraw/zinc/14/87/72/210148772.db2.gz ICEGCWSIACCNFL-LJQANCHMSA-N 0 3 394.515 4.355 50 0 GIAAHN C[C@@H](NC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C)c1ccco1 ZINC000014984220 210141392 /nfs/dbraw/zinc/14/13/92/210141392.db2.gz OTRPIFBTVALIHK-QGZVFWFLSA-N 0 3 378.472 4.264 50 0 GIAAHN CN(C)[C@H](CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000014196999 210109849 /nfs/dbraw/zinc/10/98/49/210109849.db2.gz RYAMYQLNGOWUBH-LJQANCHMSA-N 0 3 383.492 4.066 50 0 GIAAHN Cc1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)n(-c2ccccc2C)n1 ZINC000012975233 210038753 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Cc1ccsc1C(=O)[C@@H]1CCCN(C2CCN(Cc3ccccn3)CC2)C1 ZINC000020820844 210363091 /nfs/dbraw/zinc/36/30/91/210363091.db2.gz ZJOSHLBLQQIMRO-GOSISDBHSA-N 0 3 383.561 4.011 50 0 GIAAHN Cc1cc(O)c([C@H](c2ccccc2)N2CCC(C)CC2)c(=O)n1Cc1ccco1 ZINC000020604681 210350480 /nfs/dbraw/zinc/35/04/80/210350480.db2.gz GFOFJHZSFKLAAP-QHCPKHFHSA-N 0 3 392.499 4.325 50 0 aggregator GIAAHN Cc1ccccc1CNCc1cccn1-c1nnc(N2CCC(C)CC2)s1 ZINC000020576359 210347583 /nfs/dbraw/zinc/34/75/83/210347583.db2.gz NWYZHTXCJMLEBA-UHFFFAOYSA-N 0 3 381.549 4.163 50 0 GIAAHN CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000019999272 210310229 /nfs/dbraw/zinc/31/02/29/210310229.db2.gz ZRTFOPWDUXHOJR-UHFFFAOYSA-N 0 3 399.494 4.456 50 0 GIAAHN C[C@H](Oc1ccccc1)c1cc(=O)[n-]c(-c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000019792692 210297570 /nfs/dbraw/zinc/29/75/70/210297570.db2.gz PTYUNBOAZNDEQH-KRWDZBQOSA-N 0 3 375.472 4.173 50 0 GIAAHN Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccc5cccnc54)N4CCC[C@@]34C2=O)o1 ZINC000011933649 221137628 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Cc1nc(-c2ccccn2)sc1C(=O)NCC1(N2CCCCC2)CCCCC1 ZINC000008184981 526610128 /nfs/dbraw/zinc/61/01/28/526610128.db2.gz RDUDNSHAFCJUBM-UHFFFAOYSA-N 0 3 398.576 4.432 50 0 GIAAHN O=C(Nc1ccccc1-c1ccccc1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000095496722 527401352 /nfs/dbraw/zinc/40/13/52/527401352.db2.gz XLYJKUPRUHIMIE-FQEVSTJZSA-N 0 3 379.504 4.072 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)c1ccc(-c2cnco2)cc1)c1cccc(OC)c1 ZINC000047827267 570215034 /nfs/dbraw/zinc/21/50/34/570215034.db2.gz CKTMHXXKSCWTKB-OAQYLSRUSA-N 0 3 393.487 4.163 50 0 GIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000010527017 570225132 /nfs/dbraw/zinc/22/51/32/570225132.db2.gz MUTPJJXWIRBMIE-GOSISDBHSA-N 0 3 392.436 4.263 50 0 GIAAHN O=C(C1COc2ccccc2O1)N(Cc1ccco1)c1nc2ccccc2s1 ZINC000010527016 570225193 /nfs/dbraw/zinc/22/51/93/570225193.db2.gz MUTPJJXWIRBMIE-SFHVURJKSA-N 0 3 392.436 4.263 50 0 GIAAHN CN(C)Cc1ccccc1CNC(=O)Nc1cccnc1Oc1ccccc1 ZINC000048356641 570242764 /nfs/dbraw/zinc/24/27/64/570242764.db2.gz 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570343088 /nfs/dbraw/zinc/34/30/88/570343088.db2.gz UWHWBYHOVJPZKS-IFMALSPDSA-N 0 3 389.923 4.069 50 0 GIAAHN Cc1cccc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000008120286 570361104 /nfs/dbraw/zinc/36/11/04/570361104.db2.gz RSXARJQASAEAGG-UHFFFAOYSA-N 0 3 395.510 4.322 50 0 GIAAHN CCOC(=O)C1(CCc2ccccc2)CCN([C@H](C)Cc2cccnc2)CC1 ZINC000023478222 570363239 /nfs/dbraw/zinc/36/32/39/570363239.db2.gz NTOAAHCDTIBVRJ-HXUWFJFHSA-N 0 3 380.532 4.291 50 0 GIAAHN CCCN1CCC(N(C(=O)c2ccc(NC(=O)C(C)(C)C)cc2)C2CC2)CC1 ZINC000004241102 570363802 /nfs/dbraw/zinc/36/38/02/570363802.db2.gz KRDMDBOYZZQGFT-UHFFFAOYSA-N 0 3 385.552 4.150 50 0 GIAAHN Cc1cc(N2CCN(CC(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1 ZINC000004336355 570369338 /nfs/dbraw/zinc/36/93/38/570369338.db2.gz MTZQGEPGYCFKJS-UHFFFAOYSA-N 0 3 379.891 4.202 50 0 GIAAHN CN(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1csc2ccccc21 ZINC000575621780 570370579 /nfs/dbraw/zinc/37/05/79/570370579.db2.gz UHHZQJQTEFHTMI-LJQANCHMSA-N 0 3 382.504 4.491 50 0 GIAAHN C[C@H](NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H](O)c1ccc(O)cc1 ZINC000023935777 570375473 /nfs/dbraw/zinc/37/54/73/570375473.db2.gz QTHMKDAEOJUAAD-RNODOKPDSA-N 0 3 380.469 4.474 50 0 GIAAHN O=C(CCN1CCN(Cc2csc3ccccc23)CC1)Nc1ccccc1F ZINC000024831896 570394884 /nfs/dbraw/zinc/39/48/84/570394884.db2.gz AMCIKJICISYMBJ-UHFFFAOYSA-N 0 3 397.519 4.187 50 0 GIAAHN CCOc1ccccc1CN1CCC(N2CCN(c3ccccc3F)CC2)CC1 ZINC000004712138 570397112 /nfs/dbraw/zinc/39/71/12/570397112.db2.gz JXTZQKXNYKJNGK-UHFFFAOYSA-N 0 3 397.538 4.011 50 0 GIAAHN O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCc2ccccc2C1 ZINC000035590814 570398950 /nfs/dbraw/zinc/39/89/50/570398950.db2.gz GQPBGIFQSTUTAH-RUZDIDTESA-N 0 3 387.523 4.254 50 0 GIAAHN CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005051321 570406269 /nfs/dbraw/zinc/40/62/69/570406269.db2.gz BZPYCCIXDUQYIC-UHFFFAOYSA-N 0 3 382.485 4.105 50 0 GIAAHN COc1cc(CNC2CCCCCCC2)c(Br)cc1OCCO ZINC000004834405 570409721 /nfs/dbraw/zinc/40/97/21/570409721.db2.gz RAZSTMZKMGDMBW-UHFFFAOYSA-N 0 3 386.330 4.031 50 0 GIAAHN O=C(Nc1cccc(CNCCn2ccnc2)c1)c1ccc(Cl)cc1Cl ZINC000026309169 570424365 /nfs/dbraw/zinc/42/43/65/570424365.db2.gz BIVVHCPGRRJHDY-UHFFFAOYSA-N 0 3 389.286 4.232 50 0 GIAAHN CCN(CC)[C@@H](CNC(=O)c1nc(-c2ccccc2)oc1C)c1ccccc1 ZINC000029165713 570469829 /nfs/dbraw/zinc/46/98/29/570469829.db2.gz SDRPDQMCGPADSM-FQEVSTJZSA-N 0 3 377.488 4.463 50 0 GIAAHN CC(=O)Nc1cccc([C@@H](C)NCc2ccc(OCc3ccncc3)cc2)c1 ZINC000030630152 570493064 /nfs/dbraw/zinc/49/30/64/570493064.db2.gz GWTQFYFMOZOGID-QGZVFWFLSA-N 0 3 375.472 4.470 50 0 GIAAHN COc1cc(CN2CCCCC[C@H]2c2sccc2C)ccc1OCC(N)=O ZINC000033087213 570519598 /nfs/dbraw/zinc/51/95/98/570519598.db2.gz YWIDIKXQJINPCX-KRWDZBQOSA-N 0 3 388.533 4.047 50 0 GIAAHN Cc1cccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c1 ZINC000036100680 570537864 /nfs/dbraw/zinc/53/78/64/570537864.db2.gz UWHWBYHOVJPZKS-RBBKRZOGSA-N 0 3 389.923 4.069 50 0 GIAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)C4CCOCC4)C3)C2)cc1 ZINC000011662058 570577000 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210676344 /nfs/dbraw/zinc/67/63/44/210676344.db2.gz OJDBGHAQQPRZAB-UHFFFAOYSA-N 0 3 377.536 4.108 50 0 GIAAHN CN(C)CCN[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000022039583 210403612 /nfs/dbraw/zinc/40/36/12/210403612.db2.gz ZMCCXUOTSABWOS-QGZVFWFLSA-N 0 3 399.844 4.190 50 0 GIAAHN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)c1ccccc1 ZINC000021805527 210395004 /nfs/dbraw/zinc/39/50/04/210395004.db2.gz VCHMNHKKRZBXFO-QFIPXVFZSA-N 0 3 389.499 4.253 50 0 GIAAHN COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000020406700 210330365 /nfs/dbraw/zinc/33/03/65/210330365.db2.gz NUCXVUSYXVBYRR-UHFFFAOYSA-N 0 3 383.319 4.232 50 0 GIAAHN Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000020119371 210317966 /nfs/dbraw/zinc/31/79/66/210317966.db2.gz NDDYQLLHERQXBV-QFIPXVFZSA-N 0 3 379.479 4.172 50 0 GIAAHN Clc1cccc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000019888972 210304665 /nfs/dbraw/zinc/30/46/65/210304665.db2.gz IKBIUFSHOGLTSY-UHFFFAOYSA-N 0 3 383.967 4.122 50 0 GIAAHN Clc1ccc(-c2n[nH]c3c2CN(C2CCN(Cc4ccco4)CC2)CC3)cc1 ZINC000011820293 221129739 /nfs/dbraw/zinc/12/97/39/221129739.db2.gz JUPBPZNLYOYTOZ-UHFFFAOYSA-N 0 3 396.922 4.346 50 0 GIAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)cc1 ZINC000011840729 221130323 /nfs/dbraw/zinc/13/03/23/221130323.db2.gz CLEVQXZVMKSBGM-XMMPIXPASA-N 0 3 377.532 4.333 50 0 GIAAHN CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)cc1 ZINC000011840731 221130484 /nfs/dbraw/zinc/13/04/84/221130484.db2.gz CLEVQXZVMKSBGM-DEOSSOPVSA-N 0 3 377.532 4.333 50 0 GIAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000011840795 221131168 /nfs/dbraw/zinc/13/11/68/221131168.db2.gz KYQHDWBVZXYREI-DEOSSOPVSA-N 0 3 379.500 4.277 50 0 GIAAHN Cc1c2cc(Cl)ccc2oc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000095459031 136179270 /nfs/dbraw/zinc/17/92/70/136179270.db2.gz UKXOVIXBOYWDRJ-UHFFFAOYSA-N 0 3 383.879 4.436 50 0 GIAAHN Cc1nc([C@H](C)NC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cs1 ZINC000426420085 534594255 /nfs/dbraw/zinc/59/42/55/534594255.db2.gz KFRQATDDQXQCEP-INIZCTEOSA-N 0 3 386.565 4.066 50 0 GIAAHN Cc1ccccc1-c1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000426574950 534791701 /nfs/dbraw/zinc/79/17/01/534791701.db2.gz CYIUKSWFDIIZMV-JOCHJYFZSA-N 0 3 378.516 4.035 50 0 GIAAHN Cc1ccccc1OC1CCN(C(=O)c2ccc(-c3cc(N)ccn3)cc2)CC1 ZINC000426538044 534825563 /nfs/dbraw/zinc/82/55/63/534825563.db2.gz DZCLVDOEJOVAGJ-UHFFFAOYSA-N 0 3 387.483 4.323 50 0 GIAAHN CCc1ccc(N2C(=O)C[C@H](NCC(c3ccccc3)c3ccccc3)C2=O)cc1 ZINC000001288026 570260461 /nfs/dbraw/zinc/26/04/61/570260461.db2.gz RBOLCDLCRARKTC-DEOSSOPVSA-N 0 3 398.506 4.303 50 0 GIAAHN COCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1 ZINC000034683335 570300953 /nfs/dbraw/zinc/30/09/53/570300953.db2.gz QFLWXYCIUVNBQB-UHFFFAOYSA-N 0 3 380.532 4.256 50 0 GIAAHN COc1cc(CNCCN(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000022074922 570304980 /nfs/dbraw/zinc/30/49/80/570304980.db2.gz PICHFGJIRBKKPM-UHFFFAOYSA-N 0 3 383.319 4.232 50 0 GIAAHN COCCNC(=O)[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1 ZINC000034739879 570327329 /nfs/dbraw/zinc/32/73/29/570327329.db2.gz DTICTTJHWJCJNO-PZJWPPBQSA-N 0 3 386.923 4.056 50 0 GIAAHN CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000050028027 570328578 /nfs/dbraw/zinc/32/85/78/570328578.db2.gz XRYBTGAGLPNSOK-KRWDZBQOSA-N 0 3 385.895 4.149 50 0 GIAAHN COc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccccc1 ZINC000113395802 570330909 /nfs/dbraw/zinc/33/09/09/570330909.db2.gz ANIUEYFVPUFALD-UHFFFAOYSA-N 0 3 398.890 4.491 50 0 GIAAHN CCOc1ccc([C@@H](c2c(O)cc(C)n(CC)c2=O)N2CCC(C)CC2)cc1 ZINC000024022939 570342674 /nfs/dbraw/zinc/34/26/74/570342674.db2.gz GPYUHONIRWSMSG-QFIPXVFZSA-N 0 3 384.520 4.102 50 0 GIAAHN O=C(CCc1ncc(-c2ccccc2)o1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023074988 570342735 /nfs/dbraw/zinc/34/27/35/570342735.db2.gz BTHZOKWZOILXDE-NRFANRHFSA-N 0 3 389.499 4.228 50 0 GIAAHN CCN(CC)CCOC(=O)[C@H](Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000003831172 570351012 /nfs/dbraw/zinc/35/10/12/570351012.db2.gz KBAFPSLPKGSANY-YADHBBJMSA-N 0 3 383.532 4.453 50 0 world GIAAHN O[C@@H](c1ccccn1)C1CCN(Cc2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000023380523 570359497 /nfs/dbraw/zinc/35/94/97/570359497.db2.gz LGDOSXPNUGCRNN-HSZRJFAPSA-N 0 3 388.471 4.164 50 0 GIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382343 570359933 /nfs/dbraw/zinc/35/99/33/570359933.db2.gz KBYPQWIOLFRNKF-IBGZPJMESA-N 0 3 392.434 4.035 50 0 GIAAHN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H](O)c1ccccc1)CC2 ZINC000023908563 570375067 /nfs/dbraw/zinc/37/50/67/570375067.db2.gz FJFFCYJYGDSGJR-WMZHIEFXSA-N 0 3 395.524 4.446 50 0 GIAAHN Brc1ccc(OCc2ccccc2)c(CNC[C@@H]2CCCO2)c1 ZINC000004657491 570390074 /nfs/dbraw/zinc/39/00/74/570390074.db2.gz PREAXUKGCQUJBJ-SFHVURJKSA-N 0 3 376.294 4.297 50 0 GIAAHN Cc1cc(C)c2nc(C)cc(C(=O)NCCCN(C)Cc3ccccc3)c2c1 ZINC000033252879 570403316 /nfs/dbraw/zinc/40/33/16/570403316.db2.gz HEMKLNFRGOADNW-UHFFFAOYSA-N 0 3 375.516 4.412 50 0 GIAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1nc(Cl)ccc1Cl ZINC000121167715 570403628 /nfs/dbraw/zinc/40/36/28/570403628.db2.gz OXBFFPRFHOVLFY-CJNGLKHVSA-N 0 3 376.287 4.145 50 0 GIAAHN COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000004786608 570405711 /nfs/dbraw/zinc/40/57/11/570405711.db2.gz BGNVUYNDYLQLPV-UHFFFAOYSA-N 0 3 377.440 4.293 50 0 GIAAHN Cc1cccc2c1-c1sc(C(=O)N(CCN(C)C)Cc3ccco3)cc1CO2 ZINC000005050022 570405848 /nfs/dbraw/zinc/40/58/48/570405848.db2.gz ULXJKGQJFCAJGN-UHFFFAOYSA-N 0 3 396.512 4.413 50 0 GIAAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3OC)=NN12 ZINC000005093603 570415723 /nfs/dbraw/zinc/41/57/23/570415723.db2.gz HATSPIFVBIEQDP-FQEVSTJZSA-N 0 3 377.488 4.051 50 0 GIAAHN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000239667646 570430410 /nfs/dbraw/zinc/43/04/10/570430410.db2.gz BQZYCSZDBNSNBU-JVPBZIDWSA-N 0 3 386.467 4.096 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)N2CCCCC2)cc1 ZINC000027581568 570436573 /nfs/dbraw/zinc/43/65/73/570436573.db2.gz MWYBYSOPODMXAV-HSZRJFAPSA-N 0 3 380.532 4.334 50 0 GIAAHN CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027662240 570438155 /nfs/dbraw/zinc/43/81/55/570438155.db2.gz UTXBCFRJGUMTKK-HSZRJFAPSA-N 0 3 396.531 4.441 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc2)CC1 ZINC000011949593 570450233 /nfs/dbraw/zinc/45/02/33/570450233.db2.gz MZWPPNZJQUHINE-UHFFFAOYSA-N 0 3 392.528 4.204 50 0 GIAAHN Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1C ZINC000028291542 570456005 /nfs/dbraw/zinc/45/60/05/570456005.db2.gz CGELTJBAFCBDFH-HXUWFJFHSA-N 0 3 386.561 4.333 50 0 GIAAHN Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1C ZINC000028290962 570456161 /nfs/dbraw/zinc/45/61/61/570456161.db2.gz LKGYQGGIDORKRX-QFIPXVFZSA-N 0 3 382.548 4.399 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)c3cccc4c(C)c(C)[nH]c43)cc2)CC1 ZINC000029798977 570480140 /nfs/dbraw/zinc/48/01/40/570480140.db2.gz YTXSIVQFXLTYPZ-UHFFFAOYSA-N 0 3 376.504 4.179 50 0 GIAAHN c1cnn(Cc2ccccc2CNCc2cccc(OCc3ccccn3)c2)c1 ZINC000030629061 570492456 /nfs/dbraw/zinc/49/24/56/570492456.db2.gz VKOMGYXPCFJYPW-UHFFFAOYSA-N 0 3 384.483 4.195 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1-n1cccc1 ZINC000032105621 570508842 /nfs/dbraw/zinc/50/88/42/570508842.db2.gz QNPPLGRZHSIERW-UHFFFAOYSA-N 0 3 377.463 4.011 50 0 GIAAHN COc1ccc(CCCC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000078726131 570509119 /nfs/dbraw/zinc/50/91/19/570509119.db2.gz KBHTYKUVPYBMBA-UHFFFAOYSA-N 0 3 394.559 4.185 50 0 GIAAHN C[C@H]1CCCCN1CCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21 ZINC000064657592 570512245 /nfs/dbraw/zinc/51/22/45/570512245.db2.gz SCTMHSQBXAOUSL-INIZCTEOSA-N 0 3 399.535 4.500 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)c(C)c3)on2)N(C)C)cc1 ZINC000032623106 570512384 /nfs/dbraw/zinc/51/23/84/570512384.db2.gz XYHMTWUHYUULPW-OAQYLSRUSA-N 0 3 377.488 4.300 50 0 GIAAHN Cc1cc(C)c2nc(C)cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c2c1 ZINC000000898016 570513562 /nfs/dbraw/zinc/51/35/62/570513562.db2.gz HQCKKCLWVDQHIQ-UHFFFAOYSA-N 0 3 375.472 4.376 50 0 GIAAHN O=C(c1ccccc1F)N(C[C@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000072304631 570515538 /nfs/dbraw/zinc/51/55/38/570515538.db2.gz FNXUXNWKVHFTRC-KRWDZBQOSA-N 0 3 394.412 4.352 50 0 GIAAHN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000043496307 570521362 /nfs/dbraw/zinc/52/13/62/570521362.db2.gz QXAHEIRFBNJTAH-UHFFFAOYSA-N 0 3 392.547 4.335 50 0 GIAAHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccccc1F ZINC000008326297 570528182 /nfs/dbraw/zinc/52/81/82/570528182.db2.gz IHYFIERXHWKXRY-INIZCTEOSA-N 0 3 381.875 4.317 50 0 GIAAHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008535068 570533379 /nfs/dbraw/zinc/53/33/79/570533379.db2.gz GMFDBVJPPKFKDQ-GFCCVEGCSA-N 0 3 384.701 4.152 50 0 GIAAHN COCCCN(Cc1cc(C)ccc1C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097410 570536108 /nfs/dbraw/zinc/53/61/08/570536108.db2.gz WMQDUBRVBGZXGU-NRFANRHFSA-N 0 3 391.939 4.235 50 0 GIAAHN COc1cccc(CN(Cc2ccc(F)cc2)C[C@@H](O)Cc2ccccc2)c1 ZINC000036098532 570536584 /nfs/dbraw/zinc/53/65/84/570536584.db2.gz JZGKFMPZWCLOGW-QHCPKHFHSA-N 0 3 379.475 4.440 50 0 GIAAHN CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@H]1CCCN1CC ZINC000225410029 570571182 /nfs/dbraw/zinc/57/11/82/570571182.db2.gz VAOZQEDKEKCRPL-CYBMUJFWSA-N 0 3 392.758 4.392 50 0 GIAAHN OC[C@@]1(Cc2ccccc2)CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000011664132 570577872 /nfs/dbraw/zinc/57/78/72/570577872.db2.gz JHZTVMGSGHAQGP-HSZRJFAPSA-N 0 3 379.479 4.033 50 0 GIAAHN COc1ccc(C(=O)N(C)C2CCCCC2)cc1OC1CCN(C(C)C)CC1 ZINC000011878168 570589754 /nfs/dbraw/zinc/58/97/54/570589754.db2.gz XQBHSEDVSWNUPG-UHFFFAOYSA-N 0 3 388.552 4.352 50 0 GIAAHN CC(=O)CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790359 570595915 /nfs/dbraw/zinc/59/59/15/570595915.db2.gz PKVIUOPEBAKVQZ-RDPSFJRHSA-N 0 3 397.559 4.497 50 0 GIAAHN CC(=O)CCc1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(CC(C)C)cc2)cc1 ZINC000006790358 570596159 /nfs/dbraw/zinc/59/61/59/570596159.db2.gz PKVIUOPEBAKVQZ-YKSBVNFPSA-N 0 3 397.559 4.497 50 0 GIAAHN CC(=O)NC[C@@H]1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)O1 ZINC000011996524 570597474 /nfs/dbraw/zinc/59/74/74/570597474.db2.gz VDFONPYPGHTLAJ-QHCPKHFHSA-N 0 3 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ZINC000102692250 570857306 /nfs/dbraw/zinc/85/73/06/570857306.db2.gz MIIQIGDVJVVLPG-FDFHNCONSA-N 0 3 384.435 4.046 50 0 GIAAHN CC(C)(C)[C@H]1CCCC[C@@H]1NCc1nnnn1-c1ccccc1Br ZINC000170623174 570881363 /nfs/dbraw/zinc/88/13/63/570881363.db2.gz PPHMYBXWOOFAAA-ZFWWWQNUSA-N 0 3 392.345 4.119 50 0 GIAAHN Cc1cc(Cl)cc2c(-c3ccc(C(=O)N(C)CCN(C)C)cc3)ccnc12 ZINC000534652452 570914605 /nfs/dbraw/zinc/91/46/05/570914605.db2.gz RPIASMBTXKADCK-UHFFFAOYSA-N 0 3 381.907 4.497 50 0 GIAAHN CCN(CC)CCN(C(=O)c1cccc(OC)c1)c1nc2ccccc2s1 ZINC000004585305 570916674 /nfs/dbraw/zinc/91/66/74/570916674.db2.gz KRCZPOQXEYIAST-UHFFFAOYSA-N 0 3 383.517 4.294 50 0 GIAAHN COc1ccc(Br)cc1CN(CCN(C)C)Cc1ccccc1 ZINC000019635829 570929170 /nfs/dbraw/zinc/92/91/70/570929170.db2.gz XWKLBCDGFXQSQA-UHFFFAOYSA-N 0 3 377.326 4.022 50 0 GIAAHN Cc1c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)sc2nccc(C)c12 ZINC000252506281 570978525 /nfs/dbraw/zinc/97/85/25/570978525.db2.gz VYHLAFYAGWZINA-SFHVURJKSA-N 0 3 379.529 4.165 50 0 GIAAHN Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000045438892 570991014 /nfs/dbraw/zinc/99/10/14/570991014.db2.gz UDOJDANEBBAALC-HKUYNNGSSA-N 0 3 397.485 4.380 50 0 GIAAHN CN(C)[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1cn(C)c2ccccc12 ZINC000023239910 570991224 /nfs/dbraw/zinc/99/12/24/570991224.db2.gz BWTOYIDPQFNCOL-IBGZPJMESA-N 0 3 389.421 4.230 50 0 GIAAHN CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974153 571007277 /nfs/dbraw/zinc/00/72/77/571007277.db2.gz AIQRPYKKKXRTQI-UHFFFAOYSA-N 0 3 385.895 4.159 50 0 GIAAHN C[C@H](c1ccncc1)N(CCN(C)C)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000003049863 817414964 /nfs/dbraw/zinc/41/49/64/817414964.db2.gz DWNDLMGUMOVQAU-CYBMUJFWSA-N 0 3 380.920 4.196 50 0 GIAAHN COc1ccc([C@H](CNc2nc(-c3cccnc3)nc3ccccc32)N(C)C)cc1 ZINC000003411820 817451292 /nfs/dbraw/zinc/45/12/92/817451292.db2.gz LPXXLDUTBILXBZ-QFIPXVFZSA-N 0 3 399.498 4.415 50 0 GIAAHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](c1ccccc1)C(C)C ZINC000057473965 823301272 /nfs/dbraw/zinc/30/12/72/823301272.db2.gz GTNSKFBAZNNUQA-QFIPXVFZSA-N 0 3 376.504 4.415 50 0 GIAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1cccs1 ZINC000011783544 818119976 /nfs/dbraw/zinc/11/99/76/818119976.db2.gz AINJVMNAIAFWRU-UHFFFAOYSA-N 0 3 380.513 4.172 50 0 GIAAHN CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(OC)cc2)CC1 ZINC000011844044 818125674 /nfs/dbraw/zinc/12/56/74/818125674.db2.gz WDDJONZTKHOITI-UHFFFAOYSA-N 0 3 381.516 4.473 50 0 GIAAHN O=C(CCc1ccsc1)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012073684 818140421 /nfs/dbraw/zinc/14/04/21/818140421.db2.gz YSYCFAYLBHPWEK-JOCHJYFZSA-N 0 3 386.536 4.335 50 0 GIAAHN Cn1cc(CN2CCC(OCc3ccccn3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000012194184 818146052 /nfs/dbraw/zinc/14/60/52/818146052.db2.gz SDJUXIKIPRRENR-UHFFFAOYSA-N 0 3 396.922 4.317 50 0 GIAAHN C[C@@H](Oc1ccccc1)c1cc(=O)[n-]c(-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000020386115 818619922 /nfs/dbraw/zinc/61/99/22/818619922.db2.gz FKKCRZZEBHWKII-QGZVFWFLSA-N 0 3 375.472 4.173 50 0 GIAAHN CCCN(C(=O)Nc1nnc(C2CC2)s1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058326171 823379016 /nfs/dbraw/zinc/37/90/16/823379016.db2.gz IYSNBFIKPZUCDA-SFHVURJKSA-N 0 3 399.564 4.324 50 0 GIAAHN COc1cc2c(c(Br)c1OC)CCN(C)C[C@H]2c1cccc(C)c1 ZINC000039930818 821123159 /nfs/dbraw/zinc/12/31/59/821123159.db2.gz NFTCTVHSUIBMII-KRWDZBQOSA-N 0 3 390.321 4.395 50 0 GIAAHN COCc1ccc(C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)cc1 ZINC000040142750 821148039 /nfs/dbraw/zinc/14/80/39/821148039.db2.gz QQDLLQKWOLUEPM-JOCHJYFZSA-N 0 3 380.532 4.036 50 0 GIAAHN Cn1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000182962501 822400434 /nfs/dbraw/zinc/40/04/34/822400434.db2.gz HYEWAALJEHHQPH-UHFFFAOYSA-N 0 3 380.536 4.319 50 0 GIAAHN Cc1nc([C@@H](C)NC(=O)N(C)CC2CCN(Cc3ccccc3)CC2)cs1 ZINC000426420089 231217699 /nfs/dbraw/zinc/21/76/99/231217699.db2.gz KFRQATDDQXQCEP-MRXNPFEDSA-N 0 3 386.565 4.066 50 0 GIAAHN COc1ccc(Br)cc1CN1CCN(C2CCCCCC2)CC1 ZINC000019361672 210243417 /nfs/dbraw/zinc/24/34/17/210243417.db2.gz 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COc1ccc(-n2cc(CNC[C@@H]3CCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000015064472 210145632 /nfs/dbraw/zinc/14/56/32/210145632.db2.gz IHZOHPYPYKKNQD-IBGZPJMESA-N 0 3 397.906 4.470 50 0 GIAAHN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NCc2cccn2-c2ncccn2)c1 ZINC000015064005 210144759 /nfs/dbraw/zinc/14/47/59/210144759.db2.gz FDGRGVMJXJCOGQ-JOCHJYFZSA-N 0 3 398.514 4.237 50 0 GIAAHN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C[C@H]2CC=CCC2)C3)n1 ZINC000014978395 210138297 /nfs/dbraw/zinc/13/82/97/210138297.db2.gz PRDHFNUBDIGVHC-KRWDZBQOSA-N 0 3 380.488 4.317 50 0 GIAAHN CN(C(=O)c1cc2cc(F)ccc2[nH]1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000014969702 210136619 /nfs/dbraw/zinc/13/66/19/210136619.db2.gz WIUSSBJJGYJQRK-HXUWFJFHSA-N 0 3 379.479 4.086 50 0 GIAAHN CCOc1cccc(CN2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000014972380 210136241 /nfs/dbraw/zinc/13/62/41/210136241.db2.gz FUEMHOWTJKUMTN-UHFFFAOYSA-N 0 3 384.524 4.104 50 0 GIAAHN CN(CCN1CCCCC1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000014972133 210136110 /nfs/dbraw/zinc/13/61/10/210136110.db2.gz MRILGDQAKUBRIT-UHFFFAOYSA-N 0 3 381.451 4.192 50 0 GIAAHN Cc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)s1 ZINC000014954912 210134427 /nfs/dbraw/zinc/13/44/27/210134427.db2.gz WMMYHUYEHBMWGI-NRFANRHFSA-N 0 3 387.524 4.027 50 0 GIAAHN COc1ccc([C@@H](CNC(=O)N[C@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000014123626 210105941 /nfs/dbraw/zinc/10/59/41/210105941.db2.gz YLUVDRNXLYNMLD-XZOQPEGZSA-N 0 3 393.531 4.209 50 0 GIAAHN CCOc1cccc(CNCCCn2ccnc2)c1OCc1ccccc1F ZINC000013730052 210085862 /nfs/dbraw/zinc/08/58/62/210085862.db2.gz AIOYVZWXNAMIRG-UHFFFAOYSA-N 0 3 383.467 4.180 50 0 GIAAHN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000013682224 210079472 /nfs/dbraw/zinc/07/94/72/210079472.db2.gz OSQDDINKMGYHCO-UHFFFAOYSA-N 0 3 391.515 4.161 50 0 GIAAHN CCN(CC)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(OC)c1 ZINC000012951072 210036648 /nfs/dbraw/zinc/03/66/48/210036648.db2.gz LGJNMWQMNHUPEG-NRFANRHFSA-N 0 3 384.495 4.065 50 0 GIAAHN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000012756406 210004138 /nfs/dbraw/zinc/00/41/38/210004138.db2.gz YJPHQHWYZMMPIR-DEOSSOPVSA-N 0 3 394.515 4.033 50 0 GIAAHN CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000012759516 210003855 /nfs/dbraw/zinc/00/38/55/210003855.db2.gz WSCGOCUOFYPLHN-UHFFFAOYSA-N 0 3 379.508 4.186 50 0 GIAAHN Cc1c(Cl)cccc1NC(=S)N(CCN(C)C)[C@@H](C)c1cccnc1 ZINC000002934064 209398198 /nfs/dbraw/zinc/39/81/98/209398198.db2.gz FCCTVLAZJJQRQG-HNNXBMFYSA-N 0 3 376.957 4.365 50 0 GIAAHN COc1ccccc1N1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000001164677 209309234 /nfs/dbraw/zinc/30/92/34/209309234.db2.gz WVRQIGQKSWDJOP-UHFFFAOYSA-N 0 3 399.966 4.135 50 0 GIAAHN Cc1ccc([C@@H]2C3=C(NCCN=C3c3ccccc3)C(=O)N2c2ccccc2)cc1 ZINC000001088376 209299000 /nfs/dbraw/zinc/29/90/00/209299000.db2.gz PSIIUYQKJREXOJ-RUZDIDTESA-N 0 3 393.490 4.430 50 0 GIAAHN O=C(COc1ccccc1-c1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000009496268 209275426 /nfs/dbraw/zinc/27/54/26/209275426.db2.gz PQESSJIZBKZKJH-JOCHJYFZSA-N 0 3 386.495 4.123 50 0 GIAAHN O=C(N[C@H]1CCc2ccccc21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000229729944 209186491 /nfs/dbraw/zinc/18/64/91/209186491.db2.gz XSBXZBORHPOUBY-FPOVZHCZSA-N 0 3 388.433 4.245 50 0 GIAAHN COc1cccc([C@@H]2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)C2)c1OC ZINC000097773193 211372140 /nfs/dbraw/zinc/37/21/40/211372140.db2.gz IBJXDXHUKPNFTG-MRXNPFEDSA-N 0 3 381.451 4.223 50 0 GIAAHN O=C(Nc1ccc(CN2CCCCC2)nc1)c1cnc(Cc2ccccc2)s1 ZINC000096012122 211294064 /nfs/dbraw/zinc/29/40/64/211294064.db2.gz KNBIEGDMYJZZEB-UHFFFAOYSA-N 0 3 392.528 4.367 50 0 GIAAHN CCCOc1c(Cl)cc(CN[C@@H](C)[C@H](O)c2ccc(OC)cc2)cc1OC ZINC000095976039 211290890 /nfs/dbraw/zinc/29/08/90/211290890.db2.gz JBVAQTCJCPYNBM-XOBRGWDASA-N 0 3 393.911 4.358 50 0 GIAAHN CCc1ccc(CN2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)nc1 ZINC000091643690 211198738 /nfs/dbraw/zinc/19/87/38/211198738.db2.gz JFXCEWVZOKJFBE-UHFFFAOYSA-N 0 3 391.559 4.091 50 0 GIAAHN O=C1CCC2(CCN(CCSc3ccccc3)CC2)CN1Cc1ccccn1 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GIAAHN OCCOc1ccccc1CN1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000071775004 211061943 /nfs/dbraw/zinc/06/19/43/211061943.db2.gz FRIPIBOMYUUUGK-QGZVFWFLSA-N 0 3 375.459 4.181 50 0 GIAAHN CC[C@@H]1CN(Cc2nc(-c3cc(OC)ccc3F)oc2C)CCN1C(C)C ZINC000071764844 211060337 /nfs/dbraw/zinc/06/03/37/211060337.db2.gz UQYGJDDESDRUCW-MRXNPFEDSA-N 0 3 375.488 4.102 50 0 GIAAHN CCc1nccn1CCN1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682104 211052078 /nfs/dbraw/zinc/05/20/78/211052078.db2.gz GVCHYDFSCKJXHT-NRFANRHFSA-N 0 3 391.515 4.202 50 0 GIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc[nH]c2=S)cc1 ZINC000031079256 210560709 /nfs/dbraw/zinc/56/07/09/210560709.db2.gz ATPRBDAAEGAWJX-UHFFFAOYSA-N 0 3 377.513 4.029 50 0 GIAAHN COc1ccc(Cl)cc1NC(=O)NC[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000021175448 210380834 /nfs/dbraw/zinc/38/08/34/210380834.db2.gz MODKNJYPUODHAZ-KRWDZBQOSA-N 0 3 387.911 4.301 50 0 GIAAHN COc1ccc(C)cc1NC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 ZINC000021174913 210380652 /nfs/dbraw/zinc/38/06/52/210380652.db2.gz 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CC[C@@H](CNC(=O)c1ccc(SCc2csc(C)n2)cc1)N1CCCC1 ZINC000024797412 570393483 /nfs/dbraw/zinc/39/34/83/570393483.db2.gz OQZNGASRXLQLMA-SFHVURJKSA-N 0 3 389.590 4.348 50 0 GIAAHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000245311337 570435370 /nfs/dbraw/zinc/43/53/70/570435370.db2.gz NTWYOLBMNRGCRN-DNVJHFABSA-N 0 3 398.462 4.355 50 0 GIAAHN CCc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 ZINC000027581670 570436450 /nfs/dbraw/zinc/43/64/50/570436450.db2.gz QPJBXVPDAXPJGY-HSZRJFAPSA-N 0 3 380.532 4.280 50 0 GIAAHN Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)N2CCCCC2)cc1 ZINC000027581552 570436517 /nfs/dbraw/zinc/43/65/17/570436517.db2.gz CWACDFNRGZQZEL-FQEVSTJZSA-N 0 3 386.923 4.371 50 0 GIAAHN CCc1ccc([C@@H](CNC(=O)Cc2ccc(C(F)(F)F)cc2)N(C)C)cc1 ZINC000027597552 570437424 /nfs/dbraw/zinc/43/74/24/570437424.db2.gz BOKIFRIKFONPOA-LJQANCHMSA-N 0 3 378.438 4.229 50 0 GIAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCC2)cc1 ZINC000027793087 570442620 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GIAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN1C1CCSCC1 ZINC000011872985 570589448 /nfs/dbraw/zinc/58/94/48/570589448.db2.gz GXCZEFKOEAFQLH-IBGZPJMESA-N 0 3 383.517 4.172 50 0 GIAAHN CC(=O)c1cccc(CN[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)c1 ZINC000011874393 570589841 /nfs/dbraw/zinc/58/98/41/570589841.db2.gz MKKBXBKMLSIYCT-GOSISDBHSA-N 0 3 377.410 4.062 50 0 GIAAHN C/C(=C\c1ccccc1)CN1CCC2(CC[C@@H](CNC(=O)c3ccco3)O2)CC1 ZINC000011881524 570591770 /nfs/dbraw/zinc/59/17/70/570591770.db2.gz HDHMNXYYOITSCQ-HCUHUEOSSA-N 0 3 394.515 4.127 50 0 GIAAHN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNCCC(C)C ZINC000003164074 570595578 /nfs/dbraw/zinc/59/55/78/570595578.db2.gz NTHGFXQTQQSNIT-UHFFFAOYSA-N 0 3 388.533 4.474 50 0 GIAAHN COc1ccccc1CN1CCC2(C[C@@H]2C(=O)NCCCc2ccccc2)CC1 ZINC000011964792 570596272 /nfs/dbraw/zinc/59/62/72/570596272.db2.gz IITMOADGMJQHQY-JOCHJYFZSA-N 0 3 392.543 4.046 50 0 GIAAHN O=C(NC[C@H]1CCC2(CCN(Cc3cccc(Cl)c3)CC2)O1)c1ccccc1 ZINC000012036550 570599924 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OCC[C@H]1CN(Cc2ccccc2-c2ccco2)CCN1Cc1ccccc1 ZINC000020206863 210321742 /nfs/dbraw/zinc/32/17/42/210321742.db2.gz WNDDPMIWMQWPDI-QFIPXVFZSA-N 0 3 376.500 4.015 50 0 GIAAHN CCn1c(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)nc2ccccc21 ZINC000011819840 221129960 /nfs/dbraw/zinc/12/99/60/221129960.db2.gz XJADJELTDSDXIE-UHFFFAOYSA-N 0 3 380.536 4.302 50 0 GIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H](c1ccco1)N1CCCC1 ZINC000048354752 570241996 /nfs/dbraw/zinc/24/19/96/570241996.db2.gz JTJDGMPCTMUFSP-OAQYLSRUSA-N 0 3 382.483 4.148 50 0 GIAAHN CCCOc1c(Br)cc(CNC[C@H](O)c2ccccc2)cc1OC ZINC000020932925 570288151 /nfs/dbraw/zinc/28/81/51/570288151.db2.gz GMOFFUYTIKYVJS-KRWDZBQOSA-N 0 3 394.309 4.070 50 0 GIAAHN Cc1cc2c(cc(C(=O)NCCN3CCCC3)n2[C@H](C)c2ccccc2)s1 ZINC000034680322 570299401 /nfs/dbraw/zinc/29/94/01/570299401.db2.gz HNOIFMGIVHAIRT-QGZVFWFLSA-N 0 3 381.545 4.446 50 0 GIAAHN COc1cc(CNCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000022074699 570304893 /nfs/dbraw/zinc/30/48/93/570304893.db2.gz NKMORRKHDOTTKQ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/33/25/36/570332536.db2.gz APFYYHXOEKBVPF-UHFFFAOYSA-N 0 3 387.483 4.483 50 0 GIAAHN CSc1cccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000022914648 570334678 /nfs/dbraw/zinc/33/46/78/570334678.db2.gz UZKBCLCWWDLMNR-JOCHJYFZSA-N 0 3 399.579 4.334 50 0 GIAAHN CCN(Cc1ccc(OC)c(F)c1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000247882524 570340406 /nfs/dbraw/zinc/34/04/06/570340406.db2.gz JSTULRYVORSFOB-KNQAVFIVSA-N 0 3 387.495 4.111 50 0 GIAAHN FC(F)(F)CN1CC[C@@H](NCc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000060953231 570351313 /nfs/dbraw/zinc/35/13/13/570351313.db2.gz WWYXBKVDXKJFGZ-GFCCVEGCSA-N 0 3 381.423 4.283 50 0 GIAAHN CCOc1cc2c(cc1CNC[C@H](c1cccs1)N1CCCC1)O[C@H](C)C2 ZINC000023257840 570353110 /nfs/dbraw/zinc/35/31/10/570353110.db2.gz YDXKPWSNXKLSLD-VQIMIIECSA-N 0 3 386.561 4.397 50 0 GIAAHN CCOc1cc2c(cc1CNC[C@@H](c1cccs1)N1CCCC1)O[C@@H](C)C2 ZINC000023257849 570353335 /nfs/dbraw/zinc/35/33/35/570353335.db2.gz YDXKPWSNXKLSLD-LPHOPBHVSA-N 0 3 386.561 4.397 50 0 GIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000023382340 570359854 /nfs/dbraw/zinc/35/98/54/570359854.db2.gz KBYPQWIOLFRNKF-LJQANCHMSA-N 0 3 392.434 4.035 50 0 GIAAHN CCCO[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(C(F)(F)F)cc(=O)[n-]3)cc2)C1 ZINC000023431076 570362358 /nfs/dbraw/zinc/36/23/58/570362358.db2.gz QTYQSGDCJBPTTO-MRXNPFEDSA-N 0 3 395.425 4.259 50 0 GIAAHN CCCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(C(F)(F)F)cc(=O)[n-]3)cc2)C1 ZINC000023431076 570362362 /nfs/dbraw/zinc/36/23/62/570362362.db2.gz QTYQSGDCJBPTTO-MRXNPFEDSA-N 0 3 395.425 4.259 50 0 GIAAHN C[C@@H]1CCc2sc3ncnc(N4CCN(CCc5ccccc5)CC4)c3c2C1 ZINC000004264082 570364591 /nfs/dbraw/zinc/36/45/91/570364591.db2.gz BCINONSXKBIBAT-QGZVFWFLSA-N 0 3 392.572 4.181 50 0 GIAAHN CCN1CCC[C@H]1CNC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004322925 570367816 /nfs/dbraw/zinc/36/78/16/570367816.db2.gz BSCCVUAAVZMDBG-LBPRGKRZSA-N 0 3 382.291 4.171 50 0 GIAAHN COc1cccc(NC(=O)NC[C@@H](c2csc3ccccc32)N(C)C)c1OC ZINC000575620724 570369838 /nfs/dbraw/zinc/36/98/38/570369838.db2.gz LSRNNRBIWKPULK-KRWDZBQOSA-N 0 3 399.516 4.343 50 0 GIAAHN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)c1ccccc1)CC2 ZINC000023882208 570374562 /nfs/dbraw/zinc/37/45/62/570374562.db2.gz VVHYMQWHTKCPDC-DHLKQENFSA-N 0 3 389.495 4.385 50 0 GIAAHN CC1CCN([C@@H](CNC(=O)c2cn(C)c3ccccc23)c2cccs2)CC1 ZINC000032748016 570393571 /nfs/dbraw/zinc/39/35/71/570393571.db2.gz DYGOHUZMLVRNHO-FQEVSTJZSA-N 0 3 381.545 4.443 50 0 GIAAHN COc1ccc(-c2nc(=S)c3c(n2CCCN(C)C)CC(C)(C)OC3)cc1 ZINC000005050090 570426080 /nfs/dbraw/zinc/42/60/80/570426080.db2.gz KPWMSHVDOQLJDQ-UHFFFAOYSA-N 0 3 387.549 4.091 50 0 GIAAHN COc1ccc(OCCN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000011011399 570431385 /nfs/dbraw/zinc/43/13/85/570431385.db2.gz YGKMUPAEBZBAQR-UHFFFAOYSA-N 0 3 390.483 4.458 50 0 GIAAHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000005274563 570432989 /nfs/dbraw/zinc/43/29/89/570432989.db2.gz CKXLBBXTRBFNOM-QFIPXVFZSA-N 0 3 397.478 4.094 50 0 GIAAHN CCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)N2CCC(C)CC2)c1=O ZINC000038545833 570433035 /nfs/dbraw/zinc/43/30/35/570433035.db2.gz UGGBQTOQPGUEMG-NRFANRHFSA-N 0 3 386.561 4.425 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)N2CCCCC2)cc1 ZINC000027581547 570436541 /nfs/dbraw/zinc/43/65/41/570436541.db2.gz CWACDFNRGZQZEL-HXUWFJFHSA-N 0 3 386.923 4.371 50 0 GIAAHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCCCC2)cc1 ZINC000027662241 570438184 /nfs/dbraw/zinc/43/81/84/570438184.db2.gz UTXBCFRJGUMTKK-QHCPKHFHSA-N 0 3 396.531 4.441 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCCC2)cc1 ZINC000027990321 570448254 /nfs/dbraw/zinc/44/82/54/570448254.db2.gz RCAPPHDFNSTYES-LJQANCHMSA-N 0 3 387.321 4.324 50 0 GIAAHN O=C(NNc1cccc(Cl)c1)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252532972 570451947 /nfs/dbraw/zinc/45/19/47/570451947.db2.gz FPLAFVNSOBJOGV-DLBZAZTESA-N 0 3 397.828 4.094 50 0 GIAAHN O[C@H](CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1 ZINC000028260659 570453614 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CCOC(=O)[C@@]1(CCOc2ccccc2)CCCN(Cc2cccc(O)c2)C1 ZINC000014980697 221323794 /nfs/dbraw/zinc/32/37/94/221323794.db2.gz FMSHMUZRIFIZMV-HSZRJFAPSA-N 0 3 383.488 4.007 50 0 GIAAHN Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4cc(C(C)C)no4)C3)C2)c1 ZINC000014980431 221323900 /nfs/dbraw/zinc/32/39/00/221323900.db2.gz CCRDEOWYZOVFDJ-HSZRJFAPSA-N 0 3 381.520 4.235 50 0 GIAAHN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NCc2cccn2-c2ncccn2)c1 ZINC000015064004 221327326 /nfs/dbraw/zinc/32/73/26/221327326.db2.gz FDGRGVMJXJCOGQ-QFIPXVFZSA-N 0 3 398.514 4.237 50 0 GIAAHN COC[C@@H]1CCN(Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000015068695 221329057 /nfs/dbraw/zinc/32/90/57/221329057.db2.gz YWVYEANCIGQEBY-GOSISDBHSA-N 0 3 379.479 4.455 50 0 GIAAHN OCC1(CCCc2ccccc2)CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000015073309 221331120 /nfs/dbraw/zinc/33/11/20/221331120.db2.gz LSVDZBOWFOOLST-UHFFFAOYSA-N 0 3 389.543 4.470 50 0 GIAAHN CC(C)(CO)NCc1cc2ccc(Cl)cc2nc1OCCc1ccccc1 ZINC000015070957 221331287 /nfs/dbraw/zinc/33/12/87/221331287.db2.gz 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136180020 /nfs/dbraw/zinc/18/00/20/136180020.db2.gz LDVBILLPAUJPLT-UHFFFAOYSA-N 0 3 390.487 4.262 50 0 GIAAHN O=C1c2ccccc2C(=CNc2ccncc2)C(=O)N1c1ccccc1Cl ZINC000102305372 136189905 /nfs/dbraw/zinc/18/99/05/136189905.db2.gz KZDXKJYRIKOWOX-LGMDPLHJSA-N 0 3 375.815 4.375 50 0 GIAAHN CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc3ccccc32)cc1 ZINC000056851967 222027091 /nfs/dbraw/zinc/02/70/91/222027091.db2.gz DFFYOTRLKJDGDE-CVEARBPZSA-N 0 3 375.472 4.476 50 0 GIAAHN Cc1noc2nc(C(C)C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000049547654 222000438 /nfs/dbraw/zinc/00/04/38/222000438.db2.gz XPWCVQHMVMNREL-UHFFFAOYSA-N 0 3 392.503 4.049 50 0 GIAAHN COc1ccccc1CNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000061721862 222063272 /nfs/dbraw/zinc/06/32/72/222063272.db2.gz SEVLJWIGWOJVKE-UHFFFAOYSA-N 0 3 386.495 4.033 50 0 GIAAHN CC[NH+]1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(Cl)cc1)N2 ZINC000065298518 222122261 /nfs/dbraw/zinc/12/22/61/222122261.db2.gz NBQQIOBEOUTNRA-IBGZPJMESA-N 0 3 383.923 4.381 50 0 GIAAHN CCN(C(=O)Nc1nnc(C2CC2)s1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000072314422 222225809 /nfs/dbraw/zinc/22/58/09/222225809.db2.gz LTADSNRBKKRSIL-YOEHRIQHSA-N 0 3 385.537 4.105 50 0 GIAAHN COCCN(C)Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000072410281 222255887 /nfs/dbraw/zinc/25/58/87/222255887.db2.gz MWZTXQWNLQUNMV-UHFFFAOYSA-N 0 3 385.895 4.280 50 0 GIAAHN Cc1cccc(-n2cc(CN3CCN(C)[C@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072407148 222255908 /nfs/dbraw/zinc/25/59/08/222255908.db2.gz KDIOISZWWDETFQ-GOSISDBHSA-N 0 3 378.495 4.123 50 0 GIAAHN COc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN2CCC[C@H](O)C2)c1 ZINC000072425908 222258571 /nfs/dbraw/zinc/25/85/71/222258571.db2.gz VZQRREMDUWJUNK-IBGZPJMESA-N 0 3 392.499 4.184 50 0 GIAAHN Cc1cccc(-n2cc(CN3CCC[C@](C)(O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072435414 222261462 /nfs/dbraw/zinc/26/14/62/222261462.db2.gz CTLFJPFVXAUAFG-QHCPKHFHSA-N 0 3 379.479 4.334 50 0 GIAAHN COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(CN3CC[C@@H](O)C3)cc12 ZINC000072477564 222265595 /nfs/dbraw/zinc/26/55/95/222265595.db2.gz NWJHTOXQNZGGQR-QGZVFWFLSA-N 0 3 398.890 4.139 50 0 GIAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)c2cccn2C)CC1 ZINC000095501945 222334269 /nfs/dbraw/zinc/33/42/69/222334269.db2.gz GNBHJQHSRXDFAO-UHFFFAOYSA-N 0 3 397.563 4.044 50 0 GIAAHN CN(CC[C@@H](O)c1ccccc1)C(=O)Nc1ccccc1CN1CCCCC1 ZINC000095505785 222337500 /nfs/dbraw/zinc/33/75/00/222337500.db2.gz JFGSSXCMYHOTRX-JOCHJYFZSA-N 0 3 381.520 4.260 50 0 GIAAHN CC(=O)c1ccccc1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 ZINC000095511452 222342598 /nfs/dbraw/zinc/34/25/98/222342598.db2.gz LNYRRDWVLPCHHE-FCHUYYIVSA-N 0 3 390.527 4.058 50 0 GIAAHN Cc1cccc(CN2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)n1 ZINC000077358229 222279358 /nfs/dbraw/zinc/27/93/58/222279358.db2.gz HLTOMFUYOZRRPA-UHFFFAOYSA-N 0 3 383.923 4.058 50 0 GIAAHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000079053294 222302022 /nfs/dbraw/zinc/30/20/22/222302022.db2.gz NTATXKMMNGYLBJ-INIZCTEOSA-N 0 3 395.532 4.234 50 0 GIAAHN CC(C)c1nc2cc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)ccc2o1 ZINC000095525862 222351187 /nfs/dbraw/zinc/35/11/87/222351187.db2.gz RZWHVUSXDXWGFV-LJQANCHMSA-N 0 3 377.488 4.171 50 0 GIAAHN C[C@H](CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000097016642 222434652 /nfs/dbraw/zinc/43/46/52/222434652.db2.gz TUSYKBNVQFVSGR-KUHUBIRLSA-N 0 3 398.890 4.218 50 0 GIAAHN Fc1ccccc1CN1CCC(CN(Cc2ccccn2)C[C@H]2CCCO2)CC1 ZINC000023153286 526410152 /nfs/dbraw/zinc/41/01/52/526410152.db2.gz YYHOCWSFGWTSMB-HSZRJFAPSA-N 0 3 397.538 4.114 50 0 GIAAHN CN(C)CCn1ccnc1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095500699 535936745 /nfs/dbraw/zinc/93/67/45/535936745.db2.gz MNNNYZDLANWXKU-KRWDZBQOSA-N 0 3 383.927 4.030 50 0 GIAAHN Cc1nc(-c2cccc(C(=O)N(C)[C@@H](CN(C)C)c3ccccc3)c2)c(C)[nH]1 ZINC000584901444 570270772 /nfs/dbraw/zinc/27/07/72/570270772.db2.gz UYBPTUZETQTEAH-NRFANRHFSA-N 0 3 376.504 4.068 50 0 GIAAHN C[C@H](CN(C)Cc1ccccc1)OC(=O)COc1ccc(Cl)cc1Cl ZINC000002180658 570277456 /nfs/dbraw/zinc/27/74/56/570277456.db2.gz WXMUZYHQKYNBOO-CQSZACIVSA-N 0 3 382.287 4.436 50 0 GIAAHN CCc1ccc(OC[C@H](O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000021473994 570291604 /nfs/dbraw/zinc/29/16/04/570291604.db2.gz LQGHLWOCGXHIEZ-LJQANCHMSA-N 0 3 396.556 4.478 50 0 GIAAHN CC[C@H](c1ccccn1)N(C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000215871382 570292787 /nfs/dbraw/zinc/29/27/87/570292787.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 0 3 380.580 4.029 50 0 GIAAHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CN[C@@H]1CCN(Cc2ccccc2)C1 ZINC000021841503 570297558 /nfs/dbraw/zinc/29/75/58/570297558.db2.gz DUPLHFHHKNUOTC-XMMPIXPASA-N 0 3 388.559 4.221 50 0 GIAAHN CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075347 570305182 /nfs/dbraw/zinc/30/51/82/570305182.db2.gz PTNYZHKFVXISIL-QFIPXVFZSA-N 0 3 377.484 4.488 50 0 GIAAHN Cc1cccc(-n2cc(CN3CCN(C)[C@@H](C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000106943086 570307225 /nfs/dbraw/zinc/30/72/25/570307225.db2.gz KDIOISZWWDETFQ-SFHVURJKSA-N 0 3 378.495 4.123 50 0 GIAAHN Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)[C@@H](CCO)C2)c1 ZINC000106969826 570307854 /nfs/dbraw/zinc/30/78/54/570307854.db2.gz JXTAFCCKJJCOGL-QHCPKHFHSA-N 0 3 389.543 4.017 50 0 GIAAHN CCc1ccc([C@H](CNC(=O)c2ccc(Br)cc2F)N(C)C)cc1 ZINC000022684278 570324550 /nfs/dbraw/zinc/32/45/50/570324550.db2.gz PCQXTWYZGKWQFC-SFHVURJKSA-N 0 3 393.300 4.183 50 0 GIAAHN COc1cc(CNCCCOc2ccccn2)ccc1OCc1ccccc1 ZINC000113397321 570331579 /nfs/dbraw/zinc/33/15/79/570331579.db2.gz CHRYNSCBVTWROV-UHFFFAOYSA-N 0 3 378.472 4.228 50 0 GIAAHN CCOc1cc2c(cc1CNC[C@@H](c1ccco1)N1CCCCC1)O[C@H](C)C2 ZINC000022932603 570337533 /nfs/dbraw/zinc/33/75/33/570337533.db2.gz DOBNGPXUILNKJW-XLIONFOSSA-N 0 3 384.520 4.319 50 0 GIAAHN O=C(/C=C\c1cccc(Br)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000033450396 570351689 /nfs/dbraw/zinc/35/16/89/570351689.db2.gz QBXWXWIHOCXUHG-KTKRTIGZSA-N 0 3 399.332 4.243 50 0 GIAAHN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000100405550 570358288 /nfs/dbraw/zinc/35/82/88/570358288.db2.gz OKFIQTKGUZVZIM-DEOSSOPVSA-N 0 3 379.463 4.121 50 0 GIAAHN Cc1ccccc1NC(=O)CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21 ZINC000023382348 570359866 /nfs/dbraw/zinc/35/98/66/570359866.db2.gz OHARCWDMKSFNPP-FQEVSTJZSA-N 0 3 388.471 4.204 50 0 GIAAHN N=c1oc2c(cc3c4c2CCCN4CCC3)cc1C(=O)Nc1cccc(F)c1 ZINC000004921950 570369599 /nfs/dbraw/zinc/36/95/99/570369599.db2.gz GYBFCNFHLJGNIU-UHFFFAOYSA-N 0 3 377.419 4.002 50 0 GIAAHN COc1ccc([C@H](C)NC[C@H](O)COc2ccc(Cl)cc2Cl)cc1F ZINC000024102443 570378794 /nfs/dbraw/zinc/37/87/94/570378794.db2.gz UIQJNNWYSSZNKL-FZMZJTMJSA-N 0 3 388.266 4.232 50 0 GIAAHN CC(C)[C@@H]1C[C@@](CCN2CCN(C)CC2)(Cc2ccccc2Cl)CCO1 ZINC000022935341 570379763 /nfs/dbraw/zinc/37/97/63/570379763.db2.gz KYMXTLSYOMGHST-FCHUYYIVSA-N 0 3 378.988 4.341 50 0 GIAAHN CCN(CC)[C@H](CNC(=O)c1cc(-c2csc(C)n2)c[nH]1)c1ccsc1 ZINC000031985792 570388157 /nfs/dbraw/zinc/38/81/57/570388157.db2.gz RBEMPJIRGKMMDB-GOSISDBHSA-N 0 3 388.562 4.321 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000004622010 570388401 /nfs/dbraw/zinc/38/84/01/570388401.db2.gz XTFFKDOTVQYALW-UHFFFAOYSA-N 0 3 381.564 4.374 50 0 GIAAHN Cc1ccc(Cc2cnc(NC(=O)C3Oc4ccccc4O[C@H]3C)s2)cc1 ZINC000005008515 570394293 /nfs/dbraw/zinc/39/42/93/570394293.db2.gz OFOZEGGIGVSUTH-LIRRHRJNSA-N 0 3 380.469 4.209 50 0 GIAAHN COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000027582983 570436828 /nfs/dbraw/zinc/43/68/28/570436828.db2.gz GNMSACMIOGULDP-QHCPKHFHSA-N 0 3 396.531 4.116 50 0 GIAAHN Cc1cc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1Cl ZINC000027582172 570436885 /nfs/dbraw/zinc/43/68/85/570436885.db2.gz TYKWAYOKCLNDDI-QGZVFWFLSA-N 0 3 378.925 4.042 50 0 GIAAHN Cc1cccc(C)c1OCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027741490 570440653 /nfs/dbraw/zinc/44/06/53/570440653.db2.gz GNIWJQGJYXHRQD-IBGZPJMESA-N 0 3 386.561 4.477 50 0 GIAAHN Cc1cc(C)cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 ZINC000027746794 570441805 /nfs/dbraw/zinc/44/18/05/570441805.db2.gz OXSVDMPOFDIVGU-FQEVSTJZSA-N 0 3 386.561 4.477 50 0 GIAAHN CCc1cccc2c([C@@H](CC(=O)NCCN(C)C)c3ccc(C)cc3)c[nH]c21 ZINC000035888880 570472187 /nfs/dbraw/zinc/47/21/87/570472187.db2.gz FWRYJAPCCHVYQS-NRFANRHFSA-N 0 3 377.532 4.239 50 0 GIAAHN CC(C)(CNC(=O)c1ccccc1OCCOc1ccccc1)N1CCCCC1 ZINC000006552134 570474884 /nfs/dbraw/zinc/47/48/84/570474884.db2.gz PNBSEPVTTUGQNQ-UHFFFAOYSA-N 0 3 396.531 4.139 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2cccc(F)c2)CCCC1 ZINC000029563031 570476318 /nfs/dbraw/zinc/47/63/18/570476318.db2.gz GWARKKHBYJYENJ-UHFFFAOYSA-N 0 3 380.507 4.418 50 0 GIAAHN CCC[C@@H](C)N(C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000030270051 570487752 /nfs/dbraw/zinc/48/77/52/570487752.db2.gz MUZMYGSRQOFRMN-QGZVFWFLSA-N 0 3 384.520 4.030 50 0 GIAAHN COc1ccc(CN(Cc2cccc(C)c2)C[C@H](O)COc2ccccc2)cc1 ZINC000036095314 570534589 /nfs/dbraw/zinc/53/45/89/570534589.db2.gz DCAYITVLPXMSJX-QHCPKHFHSA-N 0 3 391.511 4.446 50 0 GIAAHN COc1cccc(CN(Cc2ccccc2)C[C@@H](O)COc2ccccc2)c1 ZINC000036098256 570536667 /nfs/dbraw/zinc/53/66/67/570536667.db2.gz PHKDFIIULRANAV-JOCHJYFZSA-N 0 3 377.484 4.137 50 0 GIAAHN Cc1ccc(CN(Cc2ccc(F)cc2)C[C@@H](O)COCc2ccco2)s1 ZINC000036101534 570538487 /nfs/dbraw/zinc/53/84/87/570538487.db2.gz GSRUSYXCIWQUQK-LJQANCHMSA-N 0 3 389.492 4.369 50 0 GIAAHN CCC[C@H](O)CN(Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145962 570548898 /nfs/dbraw/zinc/54/88/98/570548898.db2.gz WBJWSQVNPYVVHY-SFTDATJTSA-N 0 3 386.923 4.496 50 0 GIAAHN CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C[C@@H]1CCCN1CC ZINC000225409980 570570955 /nfs/dbraw/zinc/57/09/55/570570955.db2.gz VAOZQEDKEKCRPL-ZDUSSCGKSA-N 0 3 392.758 4.392 50 0 GIAAHN Cc1cccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)c1 ZINC000040720634 570605473 /nfs/dbraw/zinc/60/54/73/570605473.db2.gz KMRHGTBMFXZOEH-UHFFFAOYSA-N 0 3 388.939 4.039 50 0 GIAAHN CC[C@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722500 570606765 /nfs/dbraw/zinc/60/67/65/570606765.db2.gz HXZHPPZEIRECFI-OAHLLOKOSA-N 0 3 384.303 4.442 50 0 GIAAHN COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccccc1C ZINC000040722325 570606809 /nfs/dbraw/zinc/60/68/09/570606809.db2.gz YXXWOUWWBXVUQM-JOCHJYFZSA-N 0 3 377.484 4.406 50 0 GIAAHN COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1Cl ZINC000040744086 570613482 /nfs/dbraw/zinc/61/34/82/570613482.db2.gz AMRHLTARXBFTJG-LLVKDONJSA-N 0 3 388.266 4.191 50 0 GIAAHN CCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000040744009 570613687 /nfs/dbraw/zinc/61/36/87/570613687.db2.gz BLZOWQNEHWGFRK-CYBMUJFWSA-N 0 3 384.303 4.442 50 0 GIAAHN CCOc1cc(CNCCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000040744879 570613967 /nfs/dbraw/zinc/61/39/67/570613967.db2.gz JMQMLHWAFZTAMB-UHFFFAOYSA-N 0 3 384.303 4.443 50 0 GIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccs1 ZINC000053175090 570674098 /nfs/dbraw/zinc/67/40/98/570674098.db2.gz OIEODRXQXFLPRV-UHFFFAOYSA-N 0 3 377.513 4.323 50 0 GIAAHN Cc1ccc([C@@H](OC[C@H](O)CNCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000006939361 570712877 /nfs/dbraw/zinc/71/28/77/570712877.db2.gz UEZPBJVNXRYERI-RPWUZVMVSA-N 0 3 379.475 4.391 50 0 GIAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006942308 570715449 /nfs/dbraw/zinc/71/54/49/570715449.db2.gz NPZKDGZBEUZYBR-UHFFFAOYSA-N 0 3 394.906 4.125 50 0 GIAAHN CC1(C)CCC[C@H]([NH+]2CCC(c3cc(=O)[n-]c(CCc4ccccn4)n3)CC2)C1 ZINC000063846987 570751292 /nfs/dbraw/zinc/75/12/92/570751292.db2.gz UWAVQYDGXOMEAV-FQEVSTJZSA-N 0 3 394.563 4.098 50 0 GIAAHN CN(C)Cc1cccc(CNC(=O)c2cccc3c4c([nH]c32)CCCCC4)c1 ZINC000033089665 570808936 /nfs/dbraw/zinc/80/89/36/570808936.db2.gz KKUNPISUKNKALD-UHFFFAOYSA-N 0 3 375.516 4.428 50 0 GIAAHN CCOc1ccc(CN2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1OC ZINC000004700477 570853191 /nfs/dbraw/zinc/85/31/91/570853191.db2.gz QDOHAPSPBNXXPF-GOSISDBHSA-N 0 3 396.531 4.183 50 0 GIAAHN FC(F)(F)c1ccc(CN2CCCN(c3ncnc4sccc43)CC2)cc1 ZINC000032853559 570854599 /nfs/dbraw/zinc/85/45/99/570854599.db2.gz NCYSQXPJUYUHHW-UHFFFAOYSA-N 0 3 392.450 4.422 50 0 GIAAHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](CC(C)C)[C@H]2C1=O ZINC000102725558 570858634 /nfs/dbraw/zinc/85/86/34/570858634.db2.gz JUUJKPHJIMKYQY-XUVXKRRUSA-N 0 3 398.890 4.373 50 0 GIAAHN C[C@H](OC[C@H](O)CN1CCC(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1 ZINC000032895623 570887079 /nfs/dbraw/zinc/88/70/79/570887079.db2.gz NWZKWPVUZHVZCA-KSFYIVLOSA-N 0 3 389.923 4.364 50 0 GIAAHN CSCCCNC(=O)c1cccc(-c2ccc(CN3CCCCC3)cn2)c1 ZINC000534593171 570907437 /nfs/dbraw/zinc/90/74/37/570907437.db2.gz VJJJACRHUGCHQT-UHFFFAOYSA-N 0 3 383.561 4.217 50 0 GIAAHN Cc1nc(C)c(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)s1 ZINC000032908702 570909412 /nfs/dbraw/zinc/90/94/12/570909412.db2.gz MPSGWUACODVHNF-UHFFFAOYSA-N 0 3 379.529 4.419 50 0 GIAAHN Cc1cc(CN(C)C)cc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1 ZINC000089689119 570909687 /nfs/dbraw/zinc/90/96/87/570909687.db2.gz TZOXLVMYNIDQGZ-JOCHJYFZSA-N 0 3 395.547 4.148 50 0 GIAAHN Cc1ccc(NC(=O)COc2ccc(Br)cc2CNC2CC2)cc1 ZINC000040739999 570998799 /nfs/dbraw/zinc/99/87/99/570998799.db2.gz IJHMOBWHTJIDOO-UHFFFAOYSA-N 0 3 389.293 4.027 50 0 GIAAHN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)o1 ZINC000084688921 571031031 /nfs/dbraw/zinc/03/10/31/571031031.db2.gz VDWLYYQKNNUWEP-FUHIMQAGSA-N 0 3 386.561 4.426 50 0 GIAAHN O=C(c1cc2ccccc2[nH]1)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 ZINC000095385535 571069909 /nfs/dbraw/zinc/06/99/09/571069909.db2.gz MTZWGARSRJGZOU-RBBKRZOGSA-N 0 3 387.527 4.337 50 0 GIAAHN C/C=C/c1ccc(OC[C@H](O)CN(C)Cc2ccc(SC)cc2)c(OC)c1 ZINC000006158019 817664067 /nfs/dbraw/zinc/66/40/67/817664067.db2.gz BZDGCTZQNFLBHE-ZMBJWTFHSA-N 0 3 387.545 4.322 50 0 GIAAHN CN(Cc1cscn1)C(=O)[C@H]1CC12CCN(Cc1cc3ccccc3o1)CC2 ZINC000012048670 818139002 /nfs/dbraw/zinc/13/90/02/818139002.db2.gz KABPZWDZLRNUES-LJQANCHMSA-N 0 3 395.528 4.150 50 0 GIAAHN CCc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)o1 ZINC000012429974 818158645 /nfs/dbraw/zinc/15/86/45/818158645.db2.gz IJSBJCBLOBSJOP-KRWDZBQOSA-N 0 3 378.476 4.083 50 0 GIAAHN CN(Cc1cc(-c2ccccc2)on1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000015070528 818287431 /nfs/dbraw/zinc/28/74/31/818287431.db2.gz ISHHGIDZQCLOIX-QFIPXVFZSA-N 0 3 389.499 4.355 50 0 GIAAHN Cc1cc(=O)[n-]c(-c2cccc(C[N@@H+]3CC[C@@H](c4ccccc4Cl)C3)c2)n1 ZINC000020256447 818617700 /nfs/dbraw/zinc/61/77/00/818617700.db2.gz KONHOJDMNFHHMX-GOSISDBHSA-N 0 3 379.891 4.388 50 0 GIAAHN Cc1cc(=O)[n-]c(-c2cccc(C[N@H+]3CC[C@@H](c4ccccc4Cl)C3)c2)n1 ZINC000020256447 818617704 /nfs/dbraw/zinc/61/77/04/818617704.db2.gz KONHOJDMNFHHMX-GOSISDBHSA-N 0 3 379.891 4.388 50 0 GIAAHN C[C@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H](c1ccccc1)N(C)C ZINC000225411818 222675636 /nfs/dbraw/zinc/67/56/36/222675636.db2.gz ZQGZUMOMMCYHAA-HTAPYJJXSA-N 0 3 394.519 4.016 50 0 GIAAHN COc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000000864189 212192024 /nfs/dbraw/zinc/19/20/24/212192024.db2.gz CGJKZWCNKHETJC-QFIPXVFZSA-N 0 3 377.484 4.137 50 0 GIAAHN c1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000007540279 221001155 /nfs/dbraw/zinc/00/11/55/221001155.db2.gz JSEJGEUQKQTLSP-UHFFFAOYSA-N 0 3 387.512 4.211 50 0 GIAAHN CC[C@H](CO)NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008327028 221037054 /nfs/dbraw/zinc/03/70/54/221037054.db2.gz ADXNCEHJDBXEAX-MRXNPFEDSA-N 0 3 384.303 4.442 50 0 GIAAHN CC[C@@H](CO)NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008326328 221037442 /nfs/dbraw/zinc/03/74/42/221037442.db2.gz WERGFMMVZWPOFV-AWEZNQCLSA-N 0 3 384.303 4.442 50 0 GIAAHN CN1CCN(c2nc(-c3cccnc3)nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000009513267 221083058 /nfs/dbraw/zinc/08/30/58/221083058.db2.gz TUKIZYSTUZROJS-QFIPXVFZSA-N 0 3 381.483 4.185 50 0 GIAAHN COc1cccc(-c2cc(CC3(O)CCN(Cc4ccc(C)cc4)CC3)on2)c1 ZINC000011817662 221127778 /nfs/dbraw/zinc/12/77/78/221127778.db2.gz SMAFRXFQYXDNLH-UHFFFAOYSA-N 0 3 392.499 4.228 50 0 GIAAHN Fc1cccc(-c2n[nH]c3c2CN(C2CCN(Cc4ccccc4)CC2)CC3)c1 ZINC000011818643 221128151 /nfs/dbraw/zinc/12/81/51/221128151.db2.gz ZJYQAPIAJWTKQM-UHFFFAOYSA-N 0 3 390.506 4.239 50 0 GIAAHN CCn1cc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)c(C)n1 ZINC000011815690 221128464 /nfs/dbraw/zinc/12/84/64/221128464.db2.gz ANYWJCWDNYRNHG-LJQANCHMSA-N 0 3 392.503 4.322 50 0 GIAAHN Cc1ccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011839893 221131224 /nfs/dbraw/zinc/13/12/24/221131224.db2.gz FODSPWFLEDFXBS-UHFFFAOYSA-N 0 3 389.478 4.384 50 0 GIAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000011842612 221131736 /nfs/dbraw/zinc/13/17/36/221131736.db2.gz WJEHOBVHOIIEKY-NRFANRHFSA-N 0 3 375.516 4.224 50 0 GIAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(C/C=C/C(C)C)C2)c(OC)c1 ZINC000011841800 221132667 /nfs/dbraw/zinc/13/26/67/221132667.db2.gz OOXBZZCCWFNLJF-WSSFADSRSA-N 0 3 388.552 4.024 50 0 GIAAHN C=Cc1ccc(C(=O)N(C)C[C@H]2CCCN(CCc3ccccc3F)C2)cc1 ZINC000011843487 221132784 /nfs/dbraw/zinc/13/27/84/221132784.db2.gz WIYYGUPYRZGVHE-HXUWFJFHSA-N 0 3 380.507 4.495 50 0 GIAAHN O=C(CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1 ZINC000011878618 221134315 /nfs/dbraw/zinc/13/43/15/221134315.db2.gz GHBWLIJOVMHVKR-UHFFFAOYSA-N 0 3 380.488 4.089 50 0 GIAAHN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(Cc4cnn(C)c4)C3)c2)c1 ZINC000011878962 221135009 /nfs/dbraw/zinc/13/50/09/221135009.db2.gz LQINXYXPGINZGR-JOCHJYFZSA-N 0 3 388.515 4.246 50 0 GIAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)COc1ccccc1 ZINC000011934790 221138494 /nfs/dbraw/zinc/13/84/94/221138494.db2.gz LHIGYUMHHTWQME-NRFANRHFSA-N 0 3 398.522 4.008 50 0 GIAAHN COC[C@@H]1CCCN(Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000011999860 221142504 /nfs/dbraw/zinc/14/25/04/221142504.db2.gz FRFMKDKBCHSKKO-QGZVFWFLSA-N 0 3 383.467 4.438 50 0 GIAAHN CC(=O)NC[C@H]1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)O1 ZINC000011996525 221142701 /nfs/dbraw/zinc/14/27/01/221142701.db2.gz VDFONPYPGHTLAJ-HSZRJFAPSA-N 0 3 394.515 4.129 50 0 GIAAHN CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012050066 221144640 /nfs/dbraw/zinc/14/46/40/221144640.db2.gz XDENKGIQLJTPEI-FQEVSTJZSA-N 0 3 390.449 4.485 50 0 GIAAHN COc1ccc(CN2CCC3(C[C@@H]3C(=O)Nc3cccc(F)c3)CC2)cc1C ZINC000012100334 221150573 /nfs/dbraw/zinc/15/05/73/221150573.db2.gz ZQRNYVUYYFBZDT-HXUWFJFHSA-N 0 3 382.479 4.384 50 0 GIAAHN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(Cc2ccoc2)C1 ZINC000012304059 221178001 /nfs/dbraw/zinc/17/80/01/221178001.db2.gz ZUZSWCLCCOQRTQ-SFHVURJKSA-N 0 3 377.444 4.318 50 0 GIAAHN CC(C)c1ccc(N[C@@H]2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1 ZINC000012301849 221178596 /nfs/dbraw/zinc/17/85/96/221178596.db2.gz SLYASSPXDKGDJI-JOCHJYFZSA-N 0 3 392.547 4.416 50 0 GIAAHN Cc1cc(C)c(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)c(-n2cccn2)c1 ZINC000012319796 221180706 /nfs/dbraw/zinc/18/07/06/221180706.db2.gz JQICVNXAFICFBB-OAQYLSRUSA-N 0 3 398.514 4.237 50 0 GIAAHN CCCCN(C)Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12 ZINC000012317541 221180802 /nfs/dbraw/zinc/18/08/02/221180802.db2.gz JRIMGLBRSUXQIP-UHFFFAOYSA-N 0 3 392.547 4.189 50 0 GIAAHN Cc1cccc(CNC2CCN(c3ccc(NC(=O)C4CCCC4)cc3)CC2)n1 ZINC000012243145 221173582 /nfs/dbraw/zinc/17/35/82/221173582.db2.gz AHTWXJLMSGQGKA-UHFFFAOYSA-N 0 3 392.547 4.277 50 0 GIAAHN OC[C@@]1(CCc2ccccc2)CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000012431947 221193765 /nfs/dbraw/zinc/19/37/65/221193765.db2.gz FAVPOFGLNIDHFP-XMMPIXPASA-N 0 3 393.506 4.219 50 0 GIAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4oc(C)cc4C)C3)C2)c1 ZINC000012458277 221198449 /nfs/dbraw/zinc/19/84/49/221198449.db2.gz GZBDUHBQQRLMIC-HSZRJFAPSA-N 0 3 382.504 4.033 50 0 GIAAHN CN(C(=O)c1cc2sccc2[nH]1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012585326 221210203 /nfs/dbraw/zinc/21/02/03/221210203.db2.gz MGMZXVGRERRBBF-SFHVURJKSA-N 0 3 381.545 4.399 50 0 GIAAHN OC[C@]1(Cc2ccccc2)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000012708926 221219708 /nfs/dbraw/zinc/21/97/08/221219708.db2.gz LLPVVEBKMYZRMZ-FQEVSTJZSA-N 0 3 379.422 4.402 50 0 GIAAHN Cc1noc2nc(C)cc(C(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)c12 ZINC000012912055 221244850 /nfs/dbraw/zinc/24/48/50/221244850.db2.gz NYLAAWLHBPBRDQ-KRWDZBQOSA-N 0 3 398.532 4.104 50 0 GIAAHN O=C(/C=C/c1nc2ccccc2s1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000012815064 221236313 /nfs/dbraw/zinc/23/63/13/221236313.db2.gz VTLACJUJOQLOTL-SCOAYWHSSA-N 0 3 383.542 4.324 50 0 GIAAHN COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)cc1C ZINC000012835751 221236728 /nfs/dbraw/zinc/23/67/28/221236728.db2.gz MEARVJWBQVXWIO-FQEVSTJZSA-N 0 3 394.515 4.365 50 0 GIAAHN CCN(CC)C(=O)c1cccc(NC(=O)CN[C@@H](C)c2cc(C)ccc2C)c1 ZINC000012909020 221245288 /nfs/dbraw/zinc/24/52/88/221245288.db2.gz ZDRRFTRIRYGAHH-SFHVURJKSA-N 0 3 381.520 4.075 50 0 GIAAHN CCc1ccc([C@@H](CNc2cnn(-c3ccccc3)c(=O)c2Cl)N(C)C)cc1 ZINC000013097256 221261018 /nfs/dbraw/zinc/26/10/18/221261018.db2.gz ZEASCBDEVAUHII-HXUWFJFHSA-N 0 3 396.922 4.163 50 0 GIAAHN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H](O)c1ccccc1)CC2 ZINC000013128314 221261942 /nfs/dbraw/zinc/26/19/42/221261942.db2.gz FJFFCYJYGDSGJR-AUSIDOKSSA-N 0 3 395.524 4.446 50 0 GIAAHN Cc1cc(Br)ccc1-c1ccc(CNCCCN2CCCC2=O)o1 ZINC000013727991 221285474 /nfs/dbraw/zinc/28/54/74/221285474.db2.gz PUMBZYQVSIWEHK-UHFFFAOYSA-N 0 3 391.309 4.120 50 0 GIAAHN CC(C)[C@H](NCC(=O)Nc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCCO2 ZINC000014165251 221301376 /nfs/dbraw/zinc/30/13/76/221301376.db2.gz HZCDCCYHIBFMHV-DEOSSOPVSA-N 0 3 394.515 4.262 50 0 GIAAHN Cc1ccc(-n2cc(CNCCc3cnccn3)c(-c3cccc(C)c3)n2)cc1 ZINC000014975957 221322949 /nfs/dbraw/zinc/32/29/49/221322949.db2.gz JJPYETARGOXYNX-UHFFFAOYSA-N 0 3 383.499 4.278 50 0 GIAAHN Cc1c([C@H](C)NCc2cccc(-n3cccn3)c2)cnn1-c1ccc(F)cc1F ZINC000014978515 221323053 /nfs/dbraw/zinc/32/30/53/221323053.db2.gz LXGMDSHPJFAIOK-HNNXBMFYSA-N 0 3 393.441 4.495 50 0 GIAAHN O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000014949531 221318712 /nfs/dbraw/zinc/31/87/12/221318712.db2.gz LPTPDCXJDMERPT-SFHVURJKSA-N 0 3 393.512 4.366 50 0 GIAAHN CCN1CCOc2ccc(CN3CCC(OCc4ccccc4)CC3)cc2C1 ZINC000014955455 221320078 /nfs/dbraw/zinc/32/00/78/221320078.db2.gz SUVSKQSWBIFVMD-UHFFFAOYSA-N 0 3 380.532 4.082 50 0 GIAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccoc1C ZINC000015070136 221329109 /nfs/dbraw/zinc/32/91/09/221329109.db2.gz JFAJGGGZNCOLQX-FQEVSTJZSA-N 0 3 384.520 4.013 50 0 GIAAHN Cc1cc(C)n(CCCNCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)n1 ZINC000017312125 221383460 /nfs/dbraw/zinc/38/34/60/221383460.db2.gz ZQBQMBJPQDZWBA-UHFFFAOYSA-N 0 3 392.334 4.481 50 0 GIAAHN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000018098356 221386953 /nfs/dbraw/zinc/38/69/53/221386953.db2.gz MMPNJVSWEOJWGD-QYZOEREBSA-N 0 3 384.863 4.209 50 0 GIAAHN COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N(C)C)cc1 ZINC000018177773 221388508 /nfs/dbraw/zinc/38/85/08/221388508.db2.gz DBUBQMMJGWKLKI-KRWDZBQOSA-N 0 3 382.291 4.426 50 0 GIAAHN Cn1cc(CNCCN2CCCCC2=O)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000020997969 221523530 /nfs/dbraw/zinc/52/35/30/221523530.db2.gz JBSGWJJMKVXNPE-UHFFFAOYSA-N 0 3 394.563 4.237 50 0 GIAAHN Cc1ccccc1CN1CCN(c2nc(-c3cccnc3)nc3ccccc32)CC1 ZINC000058170558 136154887 /nfs/dbraw/zinc/15/48/87/136154887.db2.gz XRSVBYVMILPCTQ-UHFFFAOYSA-N 0 3 395.510 4.322 50 0 GIAAHN CCc1cc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)on1 ZINC000072424397 136169787 /nfs/dbraw/zinc/16/97/87/136169787.db2.gz 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CNc1cc(C)nc(NCc2nc(-c3ccc(C)cc3)c(-c3ccccn3)[nH]2)n1 ZINC000067694875 222155529 /nfs/dbraw/zinc/15/55/29/222155529.db2.gz CFQAEAWAGOQDJS-UHFFFAOYSA-N 0 3 385.475 4.199 50 0 GIAAHN CNc1cc(C)nc(NCc2nc(-c3ccccn3)c(-c3ccc(C)cc3)[nH]2)n1 ZINC000067694875 222155533 /nfs/dbraw/zinc/15/55/33/222155533.db2.gz CFQAEAWAGOQDJS-UHFFFAOYSA-N 0 3 385.475 4.199 50 0 GIAAHN CNc1cc(C)nc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n1 ZINC000067847607 222162799 /nfs/dbraw/zinc/16/27/99/222162799.db2.gz LQZALKRRNWFGOW-UHFFFAOYSA-N 0 3 389.438 4.030 50 0 GIAAHN CNc1cc(C)nc(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)n1 ZINC000067847607 222162800 /nfs/dbraw/zinc/16/28/00/222162800.db2.gz LQZALKRRNWFGOW-UHFFFAOYSA-N 0 3 389.438 4.030 50 0 GIAAHN C[C@H]1Oc2ccccc2OC1C(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000069656705 222175527 /nfs/dbraw/zinc/17/55/27/222175527.db2.gz HCUWKKQWGVIRSB-QVKFZJNVSA-N 0 3 394.858 4.497 50 0 GIAAHN CN(Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)CC(C)(C)CO ZINC000072477572 222266382 /nfs/dbraw/zinc/26/63/82/222266382.db2.gz RFMYYTCGHATWLK-UHFFFAOYSA-N 0 3 379.504 4.330 50 0 GIAAHN O=C1CC2(CN1Cc1ccccc1)CCN(CCSc1ccccc1)CC2 ZINC000095519162 222345113 /nfs/dbraw/zinc/34/51/13/222345113.db2.gz DAPJMSJBSAQGPI-UHFFFAOYSA-N 0 3 380.557 4.293 50 0 GIAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)c1ccn(C(C)(C)C)c1 ZINC000095518248 222343555 /nfs/dbraw/zinc/34/35/55/222343555.db2.gz BARSNXKYICPNPO-LJQANCHMSA-N 0 3 399.554 4.409 50 0 GIAAHN CC(C)=CCC/C(C)=C/CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000095531118 222353120 /nfs/dbraw/zinc/35/31/20/222353120.db2.gz MIZXIDQERNHVME-DJKKODMXSA-N 0 3 396.579 4.188 50 0 GIAAHN CC(C)=CCC/C(C)=C/CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095531118 222353124 /nfs/dbraw/zinc/35/31/24/222353124.db2.gz MIZXIDQERNHVME-DJKKODMXSA-N 0 3 396.579 4.188 50 0 GIAAHN COC(=O)C1(CN[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CCOCC1 ZINC000095940762 222360868 /nfs/dbraw/zinc/36/08/68/222360868.db2.gz YAEPZJYJOPOWIJ-MRXNPFEDSA-N 0 3 387.451 4.238 50 0 GIAAHN COC(=O)C1(CN[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CCOCC1 ZINC000095940761 222361522 /nfs/dbraw/zinc/36/15/22/222361522.db2.gz YAEPZJYJOPOWIJ-INIZCTEOSA-N 0 3 387.451 4.238 50 0 GIAAHN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000097141092 222439238 /nfs/dbraw/zinc/43/92/38/222439238.db2.gz BQZYCSZDBNSNBU-GDIGMMSISA-N 0 3 386.467 4.096 50 0 GIAAHN CC(C)CN1CCN(c2ncccc2-c2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000065117723 535107685 /nfs/dbraw/zinc/10/76/85/535107685.db2.gz IKGCWVHZYMDTIT-UHFFFAOYSA-N 0 3 397.910 4.230 50 0 GIAAHN CN1CCN([C@@H](CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)CC1 ZINC000019799470 570220354 /nfs/dbraw/zinc/22/03/54/570220354.db2.gz VCDTZVDAAVOBQR-VWLOTQADSA-N 0 3 386.539 4.301 50 0 GIAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc(F)c(F)c2)n2c3ccccc3nc21 ZINC000019819430 570222355 /nfs/dbraw/zinc/22/23/55/570222355.db2.gz HHHIPXPUIVJRNP-GOSISDBHSA-N 0 3 398.413 4.031 50 0 GIAAHN CCCCN1C(=O)C(CC(=O)Nc2ccc(F)c(F)c2)n2c3ccccc3nc21 ZINC000019819432 570222460 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COc1ccc2[nH]c(CN3CCC[C@H](N(C)CCc4ccccn4)C3)c(C)c2c1 ZINC000020598785 570269573 /nfs/dbraw/zinc/26/95/73/570269573.db2.gz GDXMJYPCIAGSQD-FQEVSTJZSA-N 0 3 392.547 4.019 50 0 GIAAHN CC(=O)c1ccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)cc1 ZINC000101604360 570284260 /nfs/dbraw/zinc/28/42/60/570284260.db2.gz GNATULSTEPYZSS-UHFFFAOYSA-N 0 3 379.504 4.062 50 0 GIAAHN Cc1cccc(-n2cc(CN(C)CCc3cn[nH]c3)c(-c3cccc(F)c3)n2)c1 ZINC000020914183 570284594 /nfs/dbraw/zinc/28/45/94/570284594.db2.gz VWZZWNMCYWMOKG-UHFFFAOYSA-N 0 3 389.478 4.384 50 0 GIAAHN CCN(CC)CCSc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cn1 ZINC000021663602 570294108 /nfs/dbraw/zinc/29/41/08/570294108.db2.gz SHFVLQNKUNNIEL-UHFFFAOYSA-N 0 3 393.940 4.430 50 0 GIAAHN COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N(C)C)cc1 ZINC000021805453 570296664 /nfs/dbraw/zinc/29/66/64/570296664.db2.gz ABUOYKGUDWOJQM-LJQANCHMSA-N 0 3 399.878 4.036 50 0 GIAAHN Cc1cccnc1NC(=O)[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072308210 570303245 /nfs/dbraw/zinc/30/32/45/570303245.db2.gz FSNXHTHLXDPLOL-INIZCTEOSA-N 0 3 393.409 4.139 50 0 GIAAHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107688 570305980 /nfs/dbraw/zinc/30/59/80/570305980.db2.gz UJVZZINKSGEXAR-JOCHJYFZSA-N 0 3 377.484 4.140 50 0 GIAAHN CC(C)Cn1cncc1CN1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000107021121 570308195 /nfs/dbraw/zinc/30/81/95/570308195.db2.gz AJRXRYYAZWTFHU-HSZRJFAPSA-N 0 3 386.559 4.411 50 0 GIAAHN CCN(CC)CCOC(=O)[C@@H](Cc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000003831173 570350996 /nfs/dbraw/zinc/35/09/96/570350996.db2.gz KBAFPSLPKGSANY-FCHUYYIVSA-N 0 3 383.532 4.453 50 0 world GIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382354 570359915 /nfs/dbraw/zinc/35/99/15/570359915.db2.gz SUOLUOKUXBZCIK-IBGZPJMESA-N 0 3 392.434 4.035 50 0 GIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000023411260 570361544 /nfs/dbraw/zinc/36/15/44/570361544.db2.gz FJUFHTRTUBJKGV-LJQANCHMSA-N 0 3 392.434 4.035 50 0 GIAAHN Cc1nn2c(nc(C)cc2N2CCN(C3CCCC3)CC2)c1-c1ccccc1 ZINC000004295277 570366199 /nfs/dbraw/zinc/36/61/99/570366199.db2.gz JWCAQPCRZSXATE-UHFFFAOYSA-N 0 3 375.520 4.078 50 0 GIAAHN COc1cccc(NC(=O)NC[C@H](c2csc3ccccc32)N(C)C)c1OC ZINC000575620736 570369797 /nfs/dbraw/zinc/36/97/97/570369797.db2.gz LSRNNRBIWKPULK-QGZVFWFLSA-N 0 3 399.516 4.343 50 0 GIAAHN COCc1c(C(=O)NCc2ccccc2CN(C)C)sc2cccc(F)c21 ZINC000024084716 570378553 /nfs/dbraw/zinc/37/85/53/570378553.db2.gz BRGMSCYAKRTOJZ-UHFFFAOYSA-N 0 3 386.492 4.178 50 0 GIAAHN Cc1ccc(C)c(C(=O)CCC(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000024190292 570380431 /nfs/dbraw/zinc/38/04/31/570380431.db2.gz QTSWIDMFTXKMIW-UHFFFAOYSA-N 0 3 378.516 4.179 50 0 GIAAHN O=C1C[C@@H](NCCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000004686154 570393227 /nfs/dbraw/zinc/39/32/27/570393227.db2.gz CYMZJEOOLQKUED-MRXNPFEDSA-N 0 3 397.689 4.111 50 0 GIAAHN CC(C)N1CCN(c2cccc(NCc3ccn(-c4ccccc4)n3)c2)CC1 ZINC000091065790 570421959 /nfs/dbraw/zinc/42/19/59/570421959.db2.gz 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O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc(OCc2ccccc2)c1 ZINC000012798328 221233876 /nfs/dbraw/zinc/23/38/76/221233876.db2.gz PXVHOKCXVKBPLI-QHCPKHFHSA-N 0 3 386.495 4.270 50 0 GIAAHN Cc1cc(NC(=O)CN[C@H](c2ccccc2)C(C)C)n(-c2ccc(F)cc2)n1 ZINC000012754359 221225889 /nfs/dbraw/zinc/22/58/89/221225889.db2.gz IKKJCZCBOXREIF-QFIPXVFZSA-N 0 3 380.467 4.245 50 0 GIAAHN CC(C)c1ccc([C@H](N[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C(C)C)cc1 ZINC000012903242 221244368 /nfs/dbraw/zinc/24/43/68/221244368.db2.gz DQISDSMCHSLFEH-YCRPNKLZSA-N 0 3 394.519 4.294 50 0 GIAAHN CN(C)[C@@H](CNC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000012873892 221240376 /nfs/dbraw/zinc/24/03/76/221240376.db2.gz MXBGTJDQXRKVFJ-IBGZPJMESA-N 0 3 393.512 4.033 50 0 GIAAHN OCC1(CCc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000013594605 221275236 /nfs/dbraw/zinc/27/52/36/221275236.db2.gz QFHCSMRWEZDPFT-UHFFFAOYSA-N 0 3 375.459 4.495 50 0 GIAAHN C[C@@H]1CN(CCCCOc2ccc(Cl)cc2Br)C[C@H](C)O1 ZINC000014083973 221298379 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CC(C)N(CCNC(=O)c1noc2c1CCc1sccc1-2)Cc1ccccc1 ZINC000015733302 221342315 /nfs/dbraw/zinc/34/23/15/221342315.db2.gz CBAPCKRLTKIBRK-UHFFFAOYSA-N 0 3 395.528 4.142 50 0 GIAAHN Brc1ccc(-c2ccc(CNCCc3nnc4ccccn43)o2)cc1 ZINC000017319002 221383596 /nfs/dbraw/zinc/38/35/96/221383596.db2.gz OJGONUSHBGWMET-UHFFFAOYSA-N 0 3 397.276 4.084 50 0 GIAAHN O=C(CCCc1nc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1 ZINC000017362955 221383925 /nfs/dbraw/zinc/38/39/25/221383925.db2.gz GYKKAGXUBOPDEN-UHFFFAOYSA-N 0 3 393.556 4.400 50 0 GIAAHN COc1ccccc1-c1cc(C(=O)NCCN(C)C)c2ccc(Cl)c(C)c2n1 ZINC000017081402 221378583 /nfs/dbraw/zinc/37/85/83/221378583.db2.gz ZQFZTHFKEBLINY-UHFFFAOYSA-N 0 3 397.906 4.164 50 0 GIAAHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874834 221515399 /nfs/dbraw/zinc/51/53/99/221515399.db2.gz LCPHQKAIKLLOCK-GOSISDBHSA-N 0 3 377.912 4.487 50 0 GIAAHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc(C)cc3C)CC2)c1 ZINC000040095368 132395322 /nfs/dbraw/zinc/39/53/22/132395322.db2.gz QEKZKVWTODUJRR-UHFFFAOYSA-N 0 3 394.563 4.336 50 0 GIAAHN Cc1cc(NCc2ccccc2CN2CCN(c3ccccc3)CC2)nc(C)n1 ZINC000096524732 136187302 /nfs/dbraw/zinc/18/73/02/136187302.db2.gz CNTUIAZBJKXBDP-UHFFFAOYSA-N 0 3 387.531 4.028 50 0 GIAAHN O=C1c2ccccc2C(=CNc2ccncc2)C(=O)N1c1ccccc1Cl ZINC000008178679 136195401 /nfs/dbraw/zinc/19/54/01/136195401.db2.gz KZDXKJYRIKOWOX-GHRIWEEISA-N 0 3 375.815 4.375 50 0 GIAAHN Cc1[nH]c2cc(C)ccc2c1[C@H](O)CN1CCN(c2cccc(C)c2C)CC1 ZINC000020057332 136202445 /nfs/dbraw/zinc/20/24/45/136202445.db2.gz UUHTWGVGWOAKIR-HSZRJFAPSA-N 0 3 377.532 4.257 50 0 GIAAHN Cc1ccccc1CN(Cc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036104672 221843658 /nfs/dbraw/zinc/84/36/58/221843658.db2.gz ZVOCTUWJGPYWJJ-QFIPXVFZSA-N 0 3 383.463 4.307 50 0 GIAAHN CCc1cc2c(C[N@@H+]3CCC[C@@H]3c3cccc(OC)c3)cc(=O)oc2cc1[O-] ZINC000057529545 222035625 /nfs/dbraw/zinc/03/56/25/222035625.db2.gz RUKOIGMPOBUIQT-HXUWFJFHSA-N 0 3 379.456 4.407 50 0 GIAAHN CCc1cc2c(C[N@H+]3CCC[C@@H]3c3cccc(OC)c3)cc(=O)oc2cc1[O-] ZINC000057529545 222035628 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CCOc1ccccc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=N ZINC000017077568 221377754 /nfs/dbraw/zinc/37/77/54/221377754.db2.gz JQXOEKWTDNHUID-UHFFFAOYSA-N 0 3 379.460 4.409 50 0 GIAAHN Cc1[nH]nc(CN2CC[C@]3(C2)CCCN(CCC2CCCCC2)C3=O)c1Cl ZINC000426535593 533669808 /nfs/dbraw/zinc/66/98/08/533669808.db2.gz BTHJTNLVMNQXCO-NRFANRHFSA-N 0 3 392.975 4.156 50 0 GIAAHN c1ccc(CN2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000058170526 136154843 /nfs/dbraw/zinc/15/48/43/136154843.db2.gz IBCGJOFTHPWKJU-UHFFFAOYSA-N 0 3 381.483 4.014 50 0 GIAAHN O=C1[C@@H](Nc2ccnc3ccccc32)CCCN1c1ccc(OC(F)F)cc1 ZINC000072301697 136167886 /nfs/dbraw/zinc/16/78/86/136167886.db2.gz VRZOEDJOSOJPRY-IBGZPJMESA-N 0 3 383.398 4.444 50 0 GIAAHN CCOC(=O)c1ccccc1NC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000057435582 222034010 /nfs/dbraw/zinc/03/40/10/222034010.db2.gz HCJAWUHXGKCRCD-MRXNPFEDSA-N 0 3 376.456 4.306 50 0 GIAAHN COc1ccc([C@@H](NCC(=O)N(Cc2ccco2)CC(F)(F)F)C(C)C)cc1 ZINC000049586927 222001007 /nfs/dbraw/zinc/00/10/07/222001007.db2.gz 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Cc1nc(C)c(CN2CC[C@@]3(C2)CCCN(C(=O)c2cccc(C)c2)C3)s1 ZINC000067805992 222161190 /nfs/dbraw/zinc/16/11/90/222161190.db2.gz UWUDXUYTSUMFSX-JOCHJYFZSA-N 0 3 383.561 4.197 50 0 GIAAHN Fc1ccc(N2CC[C@@H](CNCc3csc(-c4ccco4)n3)C2)cc1F ZINC000069068721 222172230 /nfs/dbraw/zinc/17/22/30/222172230.db2.gz GPWBAWBDXKNLEM-ZDUSSCGKSA-N 0 3 375.444 4.297 50 0 GIAAHN CNc1nc(C)cc(N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)n1 ZINC000071405613 222183219 /nfs/dbraw/zinc/18/32/19/222183219.db2.gz DIFTXGBLFRZTTH-SFHVURJKSA-N 0 3 386.499 4.178 50 0 GIAAHN Cc1[nH]c2c(cc(C)cc2CNC(=O)C2CCN(Cc3ccco3)CC2)c1C ZINC000071639637 222186030 /nfs/dbraw/zinc/18/60/30/222186030.db2.gz YFJBFIMIHQRUFB-UHFFFAOYSA-N 0 3 379.504 4.215 50 0 GIAAHN Cc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)cc1O ZINC000071730303 222188604 /nfs/dbraw/zinc/18/86/04/222188604.db2.gz QMKFWODLGIXDQL-NRFANRHFSA-N 0 3 384.495 4.212 50 0 GIAAHN OCCOc1ccccc1CN1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000071762495 222193767 /nfs/dbraw/zinc/19/37/67/222193767.db2.gz QWRBOXSXFVGNBW-QGZVFWFLSA-N 0 3 375.459 4.181 50 0 GIAAHN COCc1ncc(CN2CCC[C@H](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000071759201 222194711 /nfs/dbraw/zinc/19/47/11/222194711.db2.gz HBGVYJZKBLXLQJ-QGZVFWFLSA-N 0 3 393.453 4.487 50 0 GIAAHN COc1ccc(-c2nc3c(C)cccc3cc2CN2CCC[C@@H](O)C2)cc1OC ZINC000072407859 222256106 /nfs/dbraw/zinc/25/61/06/222256106.db2.gz MHCQDKFDEIQXLU-HXUWFJFHSA-N 0 3 392.499 4.184 50 0 GIAAHN Cc1cccc(-n2cc(CN(C)CC3(CO)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000072418068 222257989 /nfs/dbraw/zinc/25/79/89/222257989.db2.gz PEXJHGFOBNQTKI-UHFFFAOYSA-N 0 3 379.479 4.191 50 0 GIAAHN Cc1cc(-c2nn(-c3ccccc3F)cc2CN2CCN(C)[C@H](C)C2)c(C)s1 ZINC000072436298 222261522 /nfs/dbraw/zinc/26/15/22/222261522.db2.gz OMAUPCNWWKFXJR-OAHLLOKOSA-N 0 3 398.551 4.493 50 0 GIAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)C[C@H]2CCCO2)cc1 ZINC000072454284 222262354 /nfs/dbraw/zinc/26/23/54/222262354.db2.gz UPAIBZRZZSJIRF-HXUWFJFHSA-N 0 3 395.478 4.298 50 0 GIAAHN Cn1cc(CN2CCC(Oc3cccnc3)CC2)c(-c2cccc(Cl)c2)n1 ZINC000076835786 222272198 /nfs/dbraw/zinc/27/21/98/222272198.db2.gz GFNAJEATBUDVIK-UHFFFAOYSA-N 0 3 382.895 4.179 50 0 GIAAHN CN(Cc1ccccc1CN1CCCC1)C(=O)c1cc(-c2ccccc2)on1 ZINC000077437642 222280430 /nfs/dbraw/zinc/28/04/30/222280430.db2.gz WCDNMJYFWAQQNX-UHFFFAOYSA-N 0 3 375.472 4.210 50 0 GIAAHN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1 ZINC000077455925 222283034 /nfs/dbraw/zinc/28/30/34/222283034.db2.gz FTGHCQRBTFNQGZ-KRWDZBQOSA-N 0 3 381.549 4.287 50 0 GIAAHN Cc1cccc(-c2nc(CNC(=O)[C@H]3CCCN(Cc4ccco4)C3)cs2)c1 ZINC000095519510 222346848 /nfs/dbraw/zinc/34/68/48/222346848.db2.gz CMBWJHRRRGFVFK-SFHVURJKSA-N 0 3 395.528 4.240 50 0 GIAAHN COc1cccc(CN2CC3(CC2=O)CCN(Cc2sccc2C)CC3)c1 ZINC000095525362 222349353 /nfs/dbraw/zinc/34/93/53/222349353.db2.gz LAIYPKYWPVHDJD-UHFFFAOYSA-N 0 3 384.545 4.080 50 0 GIAAHN c1ccc(CN2CCC(c3nc([C@@H]4CCOC4)no3)(c3ccccc3)CC2)cc1 ZINC000096163544 222395337 /nfs/dbraw/zinc/39/53/37/222395337.db2.gz BBRHTJUDZXKCSU-HXUWFJFHSA-N 0 3 389.499 4.156 50 0 GIAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2cccc(OC(F)F)c2)s1 ZINC000426716999 533884307 /nfs/dbraw/zinc/88/43/07/533884307.db2.gz PAYQXMAHYDBELG-UHFFFAOYSA-N 0 3 383.464 4.254 50 0 GIAAHN CCC(=O)c1cccc(-c2ccc(C(=O)N(CC)C[C@@H]3CCN(C)C3)cc2)c1 ZINC000426478934 528468961 /nfs/dbraw/zinc/46/89/61/528468961.db2.gz OMUZOMDJTAYJFJ-GOSISDBHSA-N 0 3 378.516 4.360 50 0 GIAAHN CCc1c(C)nn(C)c1NC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000096132307 570211508 /nfs/dbraw/zinc/21/15/08/570211508.db2.gz ZXHNRZRLAZNHIO-FQEVSTJZSA-N 0 3 383.540 4.112 50 0 GIAAHN COc1cccc(CN2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000019939330 570232468 /nfs/dbraw/zinc/23/24/68/570232468.db2.gz CIQHHNDFCJJEEL-JOCHJYFZSA-N 0 3 399.966 4.135 50 0 GIAAHN FC(F)(F)c1cccc(N2CCN([C@H]3CCCN(Cc4ccco4)C3)CC2)c1 ZINC000020455419 570258801 /nfs/dbraw/zinc/25/88/01/570258801.db2.gz SYZDEHAZVIIWHF-IBGZPJMESA-N 0 3 393.453 4.085 50 0 GIAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1=C(c2ccccc2)SCCO1 ZINC000020736327 570278080 /nfs/dbraw/zinc/27/80/80/570278080.db2.gz NJISNQDEXYSXJL-FQEVSTJZSA-N 0 3 394.540 4.072 50 0 GIAAHN O=C(Nc1ccc(F)cc1F)c1ccc(SCCN2CCCCC2)nc1 ZINC000021663450 570294082 /nfs/dbraw/zinc/29/40/82/570294082.db2.gz RCKAZKMILWDFJU-UHFFFAOYSA-N 0 3 377.460 4.190 50 0 GIAAHN Cc1cc2c(cc(C(=O)NCCN3CCCC3)n2[C@@H](C)c2ccccc2)s1 ZINC000034680321 570299407 /nfs/dbraw/zinc/29/94/07/570299407.db2.gz HNOIFMGIVHAIRT-KRWDZBQOSA-N 0 3 381.545 4.446 50 0 GIAAHN Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@H](OCc3ccccn3)C2)c1 ZINC000216530700 570302992 /nfs/dbraw/zinc/30/29/92/570302992.db2.gz IDNXWKQSHHOUAU-NRFANRHFSA-N 0 3 376.504 4.270 50 0 GIAAHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107692 570306115 /nfs/dbraw/zinc/30/61/15/570306115.db2.gz UJVZZINKSGEXAR-QFIPXVFZSA-N 0 3 377.484 4.140 50 0 GIAAHN CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1 ZINC000002845625 570307682 /nfs/dbraw/zinc/30/76/82/570307682.db2.gz JSNNVLCYCHVEHC-UHFFFAOYSA-N 0 3 381.520 4.260 50 0 GIAAHN Fc1ccccc1-c1noc2c1CN([C@H]1CCN(Cc3ccccc3)C1)CC2 ZINC000023358327 570322047 /nfs/dbraw/zinc/32/20/47/570322047.db2.gz YMDIEHZYTDDEKF-SFHVURJKSA-N 0 3 377.463 4.113 50 0 GIAAHN Cc1ccsc1CN1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000022914491 570334620 /nfs/dbraw/zinc/33/46/20/570334620.db2.gz XSEFWIICFHFIGY-FQEVSTJZSA-N 0 3 389.996 4.497 50 0 GIAAHN COc1ccc(-c2cc(C(=O)OC3CCN(C)CC3)c3ccccc3n2)cc1 ZINC000004863347 570350548 /nfs/dbraw/zinc/35/05/48/570350548.db2.gz KRVACGJHAYKUQO-UHFFFAOYSA-N 0 3 376.456 4.161 50 0 GIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000023411263 570361770 /nfs/dbraw/zinc/36/17/70/570361770.db2.gz FJUFHTRTUBJKGV-IBGZPJMESA-N 0 3 392.434 4.035 50 0 GIAAHN Cc1cc(NC(=O)CN[C@@H](c2ccc(C)cc2)C2CC2)n(-c2ccc(F)cc2)n1 ZINC000024761813 570392199 /nfs/dbraw/zinc/39/21/99/570392199.db2.gz XKYSRLOFELAHHV-QHCPKHFHSA-N 0 3 392.478 4.308 50 0 GIAAHN COc1ccc(CN2CCC[C@H](C(=O)Nc3c(C)cccc3C)C2)cc1OC ZINC000005017763 570424133 /nfs/dbraw/zinc/42/41/33/570424133.db2.gz QSVNBDGOVAQFFK-IBGZPJMESA-N 0 3 382.504 4.171 50 0 GIAAHN COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000005019702 570424369 /nfs/dbraw/zinc/42/43/69/570424369.db2.gz CSBFXKNAYGKCJI-KRWDZBQOSA-N 0 3 379.859 4.335 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)N2CCCCC2)cc1 ZINC000027581833 570436490 /nfs/dbraw/zinc/43/64/90/570436490.db2.gz SXBYGVBGLQZDKO-HSZRJFAPSA-N 0 3 380.532 4.334 50 0 GIAAHN COc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 ZINC000027741386 570440803 /nfs/dbraw/zinc/44/08/03/570440803.db2.gz SZXOWBWZCCREHA-QHCPKHFHSA-N 0 3 396.531 4.116 50 0 GIAAHN O=c1cc(CN[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)nc2sccn21 ZINC000134174546 570469126 /nfs/dbraw/zinc/46/91/26/570469126.db2.gz RPWLNOAALSRZIR-GDBMZVCRSA-N 0 3 393.434 4.201 50 0 GIAAHN O=c1cc(CN[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)nc2sccn21 ZINC000134174346 570469145 /nfs/dbraw/zinc/46/91/45/570469145.db2.gz RPWLNOAALSRZIR-GOEBONIOSA-N 0 3 393.434 4.201 50 0 GIAAHN Cc1cc(C)n(CCCN[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 ZINC000006602382 570491800 /nfs/dbraw/zinc/49/18/00/570491800.db2.gz GXUUXKHQWMVBPY-QHCPKHFHSA-N 0 3 390.531 4.476 50 0 GIAAHN COc1cc(CNC(C)(C)CO)ccc1OCc1c(Cl)cccc1Cl ZINC000006883139 570498069 /nfs/dbraw/zinc/49/80/69/570498069.db2.gz XDQFQFMHHSSXFW-UHFFFAOYSA-N 0 3 384.303 4.442 50 0 GIAAHN Cc1nn(Cc2ccccc2C)c(C)c1NC(=S)N[C@@H](C)CN1CCCCC1 ZINC000002802143 570516842 /nfs/dbraw/zinc/51/68/42/570516842.db2.gz UAQIBYOJRLIRGT-KRWDZBQOSA-N 0 3 399.608 4.017 50 0 GIAAHN Cc1nc2cc(C(=O)NCc3ccccc3CN(C)C)ccc2n1-c1ccccc1 ZINC000006657396 570521422 /nfs/dbraw/zinc/52/14/22/570521422.db2.gz TUTGYOHSKUNZRA-UHFFFAOYSA-N 0 3 398.510 4.326 50 0 GIAAHN COc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C(C)C)cc1OC ZINC000036095804 570535617 /nfs/dbraw/zinc/53/56/17/570535617.db2.gz OOFBLKKIBDXFTI-GOSISDBHSA-N 0 3 393.911 4.008 50 0 GIAAHN CN(C)[C@@H](CNCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1 ZINC000022865214 570558349 /nfs/dbraw/zinc/55/83/49/570558349.db2.gz BVPJINTYGINITG-QHCPKHFHSA-N 0 3 385.596 4.373 50 0 GIAAHN C[C@@H](N[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1Br ZINC000225405838 570570410 /nfs/dbraw/zinc/57/04/10/570570410.db2.gz HCIFQZKYVSRCMR-QWHCGFSZSA-N 0 3 383.330 4.355 50 0 GIAAHN COC(=O)c1ccc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000039364268 570590250 /nfs/dbraw/zinc/59/02/50/570590250.db2.gz NKXXXDAQXNEFMC-DEOSSOPVSA-N 0 3 381.516 4.071 50 0 GIAAHN COc1cccc(CNC[C@H]2CCCO2)c1OCc1c(F)cccc1Cl ZINC000040722436 570606733 /nfs/dbraw/zinc/60/67/33/570606733.db2.gz RSIXPDOKAMUQKN-OAHLLOKOSA-N 0 3 379.859 4.335 50 0 GIAAHN CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000040722499 570606903 /nfs/dbraw/zinc/60/69/03/570606903.db2.gz HXZHPPZEIRECFI-HNNXBMFYSA-N 0 3 384.303 4.442 50 0 GIAAHN COCCCNCc1cc(Br)cc(Br)c1OC(C)C ZINC000040730081 570608523 /nfs/dbraw/zinc/60/85/23/570608523.db2.gz DDIYTDLHZNMDCJ-UHFFFAOYSA-N 0 3 395.135 4.125 50 0 GIAAHN CC[C@H](CO)NCc1c(OCC(=O)Nc2ccc(C)cc2)ccc2ccccc21 ZINC000040736271 570609608 /nfs/dbraw/zinc/60/96/08/570609608.db2.gz RFCMGPQBKPLRBF-LJQANCHMSA-N 0 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C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000016599300 221366572 /nfs/dbraw/zinc/36/65/72/221366572.db2.gz YNOHARVRHTXJIW-DYVFJYSZSA-N 0 3 381.303 4.180 50 0 GIAAHN O=C(Nc1ccc(Br)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000017079229 221377276 /nfs/dbraw/zinc/37/72/76/221377276.db2.gz UTWIADJWOVEYMP-UHFFFAOYSA-N 0 3 388.309 4.235 50 0 GIAAHN Cc1ccc(-c2n[nH]cc2CNCCc2nc(C)c3c(n2)CCCC3)cc1C ZINC000019146770 221399670 /nfs/dbraw/zinc/39/96/70/221399670.db2.gz UTNSCTFHENJRQH-UHFFFAOYSA-N 0 3 375.520 4.003 50 0 GIAAHN c1[nH]nc(-c2cc3ccccc3o2)c1CN1CCC(OCc2ccccn2)CC1 ZINC000019770802 221452492 /nfs/dbraw/zinc/45/24/92/221452492.db2.gz PRJYLLZTFFWDSA-UHFFFAOYSA-N 0 3 388.471 4.399 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)N[C@H]3CCCc4ccccc43)cc2C)CC1 ZINC000057984408 136154265 /nfs/dbraw/zinc/15/42/65/136154265.db2.gz WMKSDNMXQGUMFV-QFIPXVFZSA-N 0 3 392.547 4.336 50 0 GIAAHN Clc1ccc(CN2CC[C@@H](C3CCN(c4ncnc5c4CCC5)CC3)C2)cc1 ZINC000072171318 136167497 /nfs/dbraw/zinc/16/74/97/136167497.db2.gz SOZJVGJQTJNNBI-LJQANCHMSA-N 0 3 396.966 4.357 50 0 GIAAHN c1cn(Cc2cscn2)c(C2CCN(c3ccnc4ccccc43)CC2)n1 ZINC000095524038 136181545 /nfs/dbraw/zinc/18/15/45/136181545.db2.gz BQVCPZRTFFSLHI-UHFFFAOYSA-N 0 3 375.501 4.320 50 0 GIAAHN Cc1cc(N2CCC(N[C@@H](C)c3nccs3)CC2)nc(-c2ccccc2)n1 ZINC000095527902 136181709 /nfs/dbraw/zinc/18/17/09/136181709.db2.gz YPTUZZOWGCFDGD-INIZCTEOSA-N 0 3 379.533 4.228 50 0 GIAAHN O=C(NCCN1CCCCCC1)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000033129624 221774661 /nfs/dbraw/zinc/77/46/61/221774661.db2.gz JNHTYXITEQUNJF-UHFFFAOYSA-N 0 3 390.487 4.009 50 0 GIAAHN COc1cccc(C(=O)[C@@H]2CCCN(C3CCN(Cc4ccccc4)CC3)C2)c1 ZINC000055242617 222018947 /nfs/dbraw/zinc/01/89/47/222018947.db2.gz YJBTXFWAIRYWDA-JOCHJYFZSA-N 0 3 392.543 4.255 50 0 GIAAHN O=C1CCN(Cc2cccc3cccnc32)CCN1Cc1cccc(Cl)c1 ZINC000055569008 222022057 /nfs/dbraw/zinc/02/20/57/222022057.db2.gz HFFCNIKHNQRMFS-UHFFFAOYSA-N 0 3 379.891 4.123 50 0 GIAAHN CN(C)Cc1ccc(CN(C)C(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000058191315 222043725 /nfs/dbraw/zinc/04/37/25/222043725.db2.gz ZOKPMYWOVJYODT-UHFFFAOYSA-N 0 3 391.515 4.385 50 0 GIAAHN O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000058399791 222052318 /nfs/dbraw/zinc/05/23/18/222052318.db2.gz TYBSREORPPYHTB-LJQANCHMSA-N 0 3 397.569 4.367 50 0 GIAAHN CCN(CC)Cc1cccc(NC(=O)c2cnc3c(cnn3CC(C)C)c2)c1 ZINC000060272690 222059466 /nfs/dbraw/zinc/05/94/66/222059466.db2.gz SBWBCDQWCSLGTF-UHFFFAOYSA-N 0 3 379.508 4.181 50 0 GIAAHN CCN(CC)Cc1cccc(NC(=O)Cn2c3ccccc3nc2C2CC2)c1 ZINC000060342565 222060050 /nfs/dbraw/zinc/06/00/50/222060050.db2.gz IZHLMMIVWNQJKX-UHFFFAOYSA-N 0 3 376.504 4.394 50 0 GIAAHN CC(=O)Nc1ccnn1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000067472930 222146760 /nfs/dbraw/zinc/14/67/60/222146760.db2.gz HIXZRHOGRNZVTH-UHFFFAOYSA-N 0 3 390.487 4.471 50 0 GIAAHN Cc1nccn1CCN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067805118 222161650 /nfs/dbraw/zinc/16/16/50/222161650.db2.gz UAGLNJNEWJQXNI-UHFFFAOYSA-N 0 3 383.879 4.112 50 0 GIAAHN OCCOc1ccccc1CN1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000071479534 222184909 /nfs/dbraw/zinc/18/49/09/222184909.db2.gz MJNWGEKTGZOYMO-GOSISDBHSA-N 0 3 375.459 4.181 50 0 GIAAHN CC(=O)[C@]1(C)[C@@H](c2ccccc2)c2c(CCN(C)C)c3ccccc3n2[C@@]1(C)O ZINC000071769172 222195329 /nfs/dbraw/zinc/19/53/29/222195329.db2.gz BHTWITDITMMLFR-CAOCKLPOSA-N 0 3 390.527 4.151 50 0 GIAAHN CCn1c2ccccc2c2cc(CN3CCC[C@@]4(CN(C)C(=O)O4)C3)ccc21 ZINC000072431305 222261751 /nfs/dbraw/zinc/26/17/51/222261751.db2.gz MYSQAGGPGNDOAD-HSZRJFAPSA-N 0 3 377.488 4.231 50 0 GIAAHN COc1ccc(OC)c2nc(-c3ccc(Cl)cc3)c(CN3CC[C@H](O)C3)cc12 ZINC000072462608 222263260 /nfs/dbraw/zinc/26/32/60/222263260.db2.gz XLKJVXFLNNBHDT-KRWDZBQOSA-N 0 3 398.890 4.139 50 0 GIAAHN Cc1cccc(-n2cc(CN(C)[C@@H]3CCN(C)C3)c(-c3cccc(F)c3)n2)c1 ZINC000072470006 222263761 /nfs/dbraw/zinc/26/37/61/222263761.db2.gz GRPWEGBQWMIHTR-JOCHJYFZSA-N 0 3 378.495 4.123 50 0 GIAAHN CCOc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1 ZINC000077171675 222274040 /nfs/dbraw/zinc/27/40/40/222274040.db2.gz KGJWFRRSOZZQPY-NRFANRHFSA-N 0 3 380.492 4.001 50 0 GIAAHN COc1cccc(NC(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)c1 ZINC000079107180 222303826 /nfs/dbraw/zinc/30/38/26/222303826.db2.gz QQLXVIXTYUVVME-UHFFFAOYSA-N 0 3 387.911 4.479 50 0 GIAAHN O=C(CN[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H](c1nccs1)c1ccccc1 ZINC000095941222 222362055 /nfs/dbraw/zinc/36/20/55/222362055.db2.gz JEPWDFXXBQMFNC-UXLLHSPISA-N 0 3 397.466 4.059 50 0 GIAAHN Cc1ccc2oc(C(=O)NCC3(N[C@@H](C)c4ccccc4)CCOCC3)cc2c1 ZINC000095959164 222363772 /nfs/dbraw/zinc/36/37/72/222363772.db2.gz HKYLRVFLPPNXNI-SFHVURJKSA-N 0 3 392.499 4.371 50 0 GIAAHN COc1ccccc1CNC(=O)N1CCCC[C@H]1c1ccc(CN(C)C)cc1 ZINC000426474472 534089215 /nfs/dbraw/zinc/08/92/15/534089215.db2.gz XRGDYUGNEYCZRA-NRFANRHFSA-N 0 3 381.520 4.194 50 0 GIAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000000804950 521699029 /nfs/dbraw/zinc/69/90/29/521699029.db2.gz NGVXJWXOIMMIIH-UHFFFAOYSA-N 0 3 378.303 4.388 50 0 GIAAHN CC(C)Cc1c[nH]nc1[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019794666 570219920 /nfs/dbraw/zinc/21/99/20/570219920.db2.gz IHZHJTAEUAZBHR-SFHVURJKSA-N 0 3 381.499 4.313 50 0 GIAAHN Cc1cccc(NC(=O)CCN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000019900010 570228995 /nfs/dbraw/zinc/22/89/95/570228995.db2.gz YJYIHKNDTGPAAU-UHFFFAOYSA-N 0 3 387.527 4.295 50 0 GIAAHN Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000048354751 570242140 /nfs/dbraw/zinc/24/21/40/570242140.db2.gz JTJDGMPCTMUFSP-NRFANRHFSA-N 0 3 382.483 4.148 50 0 GIAAHN CCN1CCN(CCCCOc2c(Cl)cc(C)cc2Br)CC1 ZINC000020390232 570253956 /nfs/dbraw/zinc/25/39/56/570253956.db2.gz TURZDMNUWWBAEU-UHFFFAOYSA-N 0 3 389.765 4.207 50 0 GIAAHN C[C@H]1CN(CCCCOc2ccc(Br)cc2Cl)C[C@H](C)O1 ZINC000020168044 570254525 /nfs/dbraw/zinc/25/45/25/570254525.db2.gz VYMAWOXCMDTVHP-STQMWFEESA-N 0 3 376.722 4.371 50 0 GIAAHN FC(F)(F)c1cccc(OCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000020482075 570261917 /nfs/dbraw/zinc/26/19/17/570261917.db2.gz LMWWEPAWBSJXMQ-UHFFFAOYSA-N 0 3 378.438 4.292 50 0 GIAAHN CN1CCN(CC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)CC1 ZINC000020588831 570269202 /nfs/dbraw/zinc/26/92/02/570269202.db2.gz ITHWYVODEWLLHV-FQEVSTJZSA-N 0 3 384.486 4.170 50 0 GIAAHN COc1ccc2cc(-c3n[nH]cc3CN(C)C[C@H](O)c3ccccc3)ccc2c1 ZINC000020780756 570280323 /nfs/dbraw/zinc/28/03/23/570280323.db2.gz INKIPIBMXVCCEI-QHCPKHFHSA-N 0 3 387.483 4.404 50 0 GIAAHN CN(Cc1ccccc1)[C@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000020998398 570286925 /nfs/dbraw/zinc/28/69/25/570286925.db2.gz YHKPBUWFQHVVFJ-QFIPXVFZSA-N 0 3 378.495 4.312 50 0 GIAAHN CNC(=O)[C@@H]1CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000215418430 570288703 /nfs/dbraw/zinc/28/87/03/570288703.db2.gz JTPJTZNARPFZIF-OAHLLOKOSA-N 0 3 378.394 4.066 50 0 GIAAHN Cc1cccc2c1cc(C(=O)NCCN1CCC[C@@H](c3ccccc3)C1)n2C ZINC000216066978 570295538 /nfs/dbraw/zinc/29/55/38/570295538.db2.gz XCTOGMGHWQIHSQ-HXUWFJFHSA-N 0 3 375.516 4.096 50 0 GIAAHN CN(C)CCN[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000022039581 570303127 /nfs/dbraw/zinc/30/31/27/570303127.db2.gz ZMCCXUOTSABWOS-KRWDZBQOSA-N 0 3 399.844 4.190 50 0 GIAAHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OCC ZINC000022076026 570305227 /nfs/dbraw/zinc/30/52/27/570305227.db2.gz FCMGNSJCMFHCMU-KRWDZBQOSA-N 0 3 394.309 4.070 50 0 GIAAHN C[C@H](NC[C@@H](c1ccccc1)N(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022793284 570328255 /nfs/dbraw/zinc/32/82/55/570328255.db2.gz GUNZLIHKKYTFCQ-UGSOOPFHSA-N 0 3 380.319 4.213 50 0 GIAAHN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@H](O)c1ccccc1)CC2 ZINC000035399961 570350530 /nfs/dbraw/zinc/35/05/30/570350530.db2.gz FJFFCYJYGDSGJR-CVDCTZTESA-N 0 3 395.524 4.446 50 0 GIAAHN O=C(NCC1(c2cccc(F)c2)CCCC1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000219291851 570351715 /nfs/dbraw/zinc/35/17/15/570351715.db2.gz GUMNIGMCEVRWKX-GOSISDBHSA-N 0 3 384.495 4.259 50 0 GIAAHN CCOC(=O)C1(CCc2ccccc2)CCN([C@@H](C)Cc2cccnc2)CC1 ZINC000023478221 570363228 /nfs/dbraw/zinc/36/32/28/570363228.db2.gz NTOAAHCDTIBVRJ-FQEVSTJZSA-N 0 3 380.532 4.291 50 0 GIAAHN CCCN1CCC(N(C(=O)c2ccc(NC(=O)c3ccco3)cc2)C2CC2)CC1 ZINC000004241107 570363830 /nfs/dbraw/zinc/36/38/30/570363830.db2.gz URSWILNGNZZYFX-UHFFFAOYSA-N 0 3 395.503 4.011 50 0 GIAAHN Cc1oc(-c2ccccc2)nc1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023738205 570371167 /nfs/dbraw/zinc/37/11/67/570371167.db2.gz LAUCCHHPDACVPK-FQEVSTJZSA-N 0 3 375.472 4.217 50 0 GIAAHN COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(C(C)C)CC1 ZINC000004950128 570379750 /nfs/dbraw/zinc/37/97/50/570379750.db2.gz MRMCXCPEGZCYLD-NRFANRHFSA-N 0 3 391.515 4.439 50 0 GIAAHN CCCCc1nn2c(nc(CN(CCC)Cc3ccc(C)cc3)cc2=O)s1 ZINC000035509800 570382295 /nfs/dbraw/zinc/38/22/95/570382295.db2.gz GFAJKWATXSUVGU-UHFFFAOYSA-N 0 3 384.549 4.214 50 0 GIAAHN O=C(C(c1ccccc1)c1ccccc1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609011 570384680 /nfs/dbraw/zinc/38/46/80/570384680.db2.gz PEAJOSZVAOYTDE-QFIPXVFZSA-N 0 3 394.584 4.248 50 0 GIAAHN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cn2)n1 ZINC000024588016 570386791 /nfs/dbraw/zinc/38/67/91/570386791.db2.gz IGGAPOMJBMATLS-UHFFFAOYSA-N 0 3 389.503 4.122 50 0 GIAAHN O=C(NC[C@H]1CCCO1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000004699828 570394677 /nfs/dbraw/zinc/39/46/77/570394677.db2.gz PHJYKXXIZPYXOQ-XMMPIXPASA-N 0 3 392.543 4.050 50 0 GIAAHN CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccc(F)cc2s1 ZINC000005121874 570421820 /nfs/dbraw/zinc/42/18/20/570421820.db2.gz BHYPPQCIWYJLNI-UHFFFAOYSA-N 0 3 385.508 4.353 50 0 GIAAHN C[C@]12C(=O)N(c3ccccc3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000239377824 570429765 /nfs/dbraw/zinc/42/97/65/570429765.db2.gz OCVIWFTWHXETLP-AWRGLXIESA-N 0 3 384.435 4.128 50 0 GIAAHN C[C@]12C(=O)N(c3ccccc3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000239377824 570429766 /nfs/dbraw/zinc/42/97/66/570429766.db2.gz OCVIWFTWHXETLP-AWRGLXIESA-N 0 3 384.435 4.128 50 0 GIAAHN CN(CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026922360 570430022 /nfs/dbraw/zinc/43/00/22/570430022.db2.gz TZBZWVDSFKYYRC-CQSZACIVSA-N 0 3 395.286 4.094 50 0 GIAAHN CC(C)c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000241965556 570431782 /nfs/dbraw/zinc/43/17/82/570431782.db2.gz UTUASHKNRICHSN-CTNGQTDRSA-N 0 3 397.515 4.158 50 0 GIAAHN Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)N2CCCCCC2)cc1 ZINC000027584483 570436961 /nfs/dbraw/zinc/43/69/61/570436961.db2.gz YWQFTEVLWWUEFJ-QHCPKHFHSA-N 0 3 380.532 4.416 50 0 GIAAHN Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCCCCC2)cc1 ZINC000027741355 570440621 /nfs/dbraw/zinc/44/06/21/570440621.db2.gz FYKUARNTNXVGLU-JOCHJYFZSA-N 0 3 380.532 4.416 50 0 GIAAHN COc1ccccc1N1CCN([C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000006235506 570472934 /nfs/dbraw/zinc/47/29/34/570472934.db2.gz CUFKSDXCOVGSBG-INIZCTEOSA-N 0 3 378.438 4.467 50 0 GIAAHN NCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000252484248 570475141 /nfs/dbraw/zinc/47/51/41/570475141.db2.gz FSWHJAKALSWGGS-UHFFFAOYSA-N 0 3 379.847 4.303 50 0 GIAAHN COc1ccc(OC)c(CNC[C@@](C)(O)C(c2ccccc2)c2ccccc2)c1 ZINC000072289923 570482954 /nfs/dbraw/zinc/48/29/54/570482954.db2.gz CAYMXCRAFXFJRN-RUZDIDTESA-N 0 3 391.511 4.377 50 0 GIAAHN CC(=O)Nc1cccc([C@H](C)NCc2ccc(OCc3ccncc3)cc2)c1 ZINC000030630156 570492726 /nfs/dbraw/zinc/49/27/26/570492726.db2.gz GWTQFYFMOZOGID-KRWDZBQOSA-N 0 3 375.472 4.470 50 0 GIAAHN CC(=O)Nc1cccc([C@@H](C)NCc2cccc(OCc3ccccn3)c2)c1 ZINC000030630147 570492903 /nfs/dbraw/zinc/49/29/03/570492903.db2.gz FAZHWXVIGPBPDJ-QGZVFWFLSA-N 0 3 375.472 4.470 50 0 GIAAHN Cc1nn(Cc2ccccc2)c(C)c1CNCc1cccc(Cn2ccnc2C)c1 ZINC000030902717 570501050 /nfs/dbraw/zinc/50/10/50/570501050.db2.gz BNKHOURHKXGTSI-UHFFFAOYSA-N 0 3 399.542 4.391 50 0 GIAAHN O=C(c1ccccc1F)N(C[C@@H]1CCN(Cc2ccccc2)C1)CC(F)(F)F ZINC000072304632 570515447 /nfs/dbraw/zinc/51/54/47/570515447.db2.gz FNXUXNWKVHFTRC-QGZVFWFLSA-N 0 3 394.412 4.352 50 0 GIAAHN Cc1ccc(C)c(CN(Cc2ccc3c(c2)OCO3)C[C@@H](O)COCC(C)C)c1 ZINC000036103926 570540676 /nfs/dbraw/zinc/54/06/76/570540676.db2.gz WWKKHIVRGNJVLK-JOCHJYFZSA-N 0 3 399.531 4.068 50 0 GIAAHN COc1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2C)cc1 ZINC000036104436 570541593 /nfs/dbraw/zinc/54/15/93/570541593.db2.gz GGHBBHSFQHSMHJ-HSZRJFAPSA-N 0 3 391.511 4.446 50 0 GIAAHN C[C@H](NC(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H](c1ccccc1)N(C)C ZINC000225411731 570570906 /nfs/dbraw/zinc/57/09/06/570570906.db2.gz ZQGZUMOMMCYHAA-JTSKRJEESA-N 0 3 394.519 4.016 50 0 GIAAHN COc1cc(Br)cc(CNC[C@H](O)c2ccccc2)c1OC(C)C ZINC000040728553 570607813 /nfs/dbraw/zinc/60/78/13/570607813.db2.gz HLINFTAAABXYPV-KRWDZBQOSA-N 0 3 394.309 4.068 50 0 GIAAHN Cc1ccc(COc2ccc(Br)cc2CNCCCCO)cc1 ZINC000040744157 570613609 /nfs/dbraw/zinc/61/36/09/570613609.db2.gz OZXTWKYQOMWTOR-UHFFFAOYSA-N 0 3 378.310 4.199 50 0 GIAAHN CCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 ZINC000005501062 570619117 /nfs/dbraw/zinc/61/91/17/570619117.db2.gz PRDYZADNQOQMSZ-QFIPXVFZSA-N 0 3 391.515 4.359 50 0 GIAAHN CCc1nc2ccccc2c(NC(=O)CNCCc2c[nH]c3ccccc23)c1C ZINC000003144001 570730066 /nfs/dbraw/zinc/73/00/66/570730066.db2.gz DECUXTSWLOPBSI-UHFFFAOYSA-N 0 3 386.499 4.358 50 0 GIAAHN Cc1onc(-c2ccccc2)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000036659882 570783186 /nfs/dbraw/zinc/78/31/86/570783186.db2.gz KZDJMTWVLRAXDJ-FQEVSTJZSA-N 0 3 375.472 4.217 50 0 GIAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(C)ccc3C)c(C)c2)CC1 ZINC000032772060 570805535 /nfs/dbraw/zinc/80/55/35/570805535.db2.gz XZANAPCPGVCVLG-FQEVSTJZSA-N 0 3 394.563 4.193 50 0 GIAAHN C[C@@H](NC(=O)c1ccccc1Br)[C@@H](c1cccs1)N1CCCC1 ZINC000003211563 570837837 /nfs/dbraw/zinc/83/78/37/570837837.db2.gz ASTNGCCWOFJSOJ-DYVFJYSZSA-N 0 3 393.350 4.466 50 0 GIAAHN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102735866 570859830 /nfs/dbraw/zinc/85/98/30/570859830.db2.gz MMPNJVSWEOJWGD-GUDVDZBRSA-N 0 3 384.863 4.209 50 0 GIAAHN CC(C)(C)[C@H]1CCCC[C@H]1NCc1nnnn1-c1ccccc1Br ZINC000170623176 570881453 /nfs/dbraw/zinc/88/14/53/570881453.db2.gz PPHMYBXWOOFAAA-DZGCQCFKSA-N 0 3 392.345 4.119 50 0 GIAAHN C[C@H](CCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000097016638 570886725 /nfs/dbraw/zinc/88/67/25/570886725.db2.gz TUSYKBNVQFVSGR-AUUYWEPGSA-N 0 3 398.890 4.218 50 0 GIAAHN COCCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(C)CC1 ZINC000299771385 570894074 /nfs/dbraw/zinc/89/40/74/570894074.db2.gz WBYJQZYOWQHOFH-UHFFFAOYSA-N 0 3 383.492 4.053 50 0 GIAAHN CN(C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000032908713 570909472 /nfs/dbraw/zinc/90/94/72/570909472.db2.gz IUSHWFYLCTXONR-DEOSSOPVSA-N 0 3 386.495 4.035 50 0 GIAAHN CN(C)Cc1cccc(CNC(=O)N(Cc2ccc3[nH]ccc3c2)C2CC2)c1 ZINC000534650567 570913891 /nfs/dbraw/zinc/91/38/91/570913891.db2.gz LUNPLAPBSFIOGI-UHFFFAOYSA-N 0 3 376.504 4.104 50 0 GIAAHN C[C@@H]1CCCN(Cc2cn3c(nnc3-c3cccc(Br)c3)s2)C1 ZINC000004107094 570951158 /nfs/dbraw/zinc/95/11/58/570951158.db2.gz YQESBIHHLCIMEP-GFCCVEGCSA-N 0 3 391.338 4.452 50 0 GIAAHN CSc1ccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019359605 570979540 /nfs/dbraw/zinc/97/95/40/570979540.db2.gz LXCXFBXXRFAPQQ-UHFFFAOYSA-N 0 3 395.616 4.191 50 0 GIAAHN COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(Cc2cccc(C)c2)CC1 ZINC000045743739 570996169 /nfs/dbraw/zinc/99/61/69/570996169.db2.gz HDXBKAPVLHMDOH-QGZVFWFLSA-N 0 3 399.510 4.168 50 0 GIAAHN CCCNCc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040739974 570999241 /nfs/dbraw/zinc/99/92/41/570999241.db2.gz PNHXZOHMOXCYPQ-UHFFFAOYSA-N 0 3 391.309 4.275 50 0 GIAAHN COCCNCc1cc(Cl)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000040742662 571001191 /nfs/dbraw/zinc/00/11/91/571001191.db2.gz NPTLPLUPOSWJNL-UHFFFAOYSA-N 0 3 388.266 4.456 50 0 GIAAHN CCN1CC2(CCN(Cc3cccc(O)c3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091433764 571007544 /nfs/dbraw/zinc/00/75/44/571007544.db2.gz FAAYGHAIBUOXSU-QFIPXVFZSA-N 0 3 378.516 4.010 50 0 GIAAHN CCCCc1nn2c(nc(CN(Cc3ccccc3)CC(C)C)cc2=O)s1 ZINC000046032191 571013688 /nfs/dbraw/zinc/01/36/88/571013688.db2.gz BWPCLZIGOBFJDR-UHFFFAOYSA-N 0 3 384.549 4.152 50 0 GIAAHN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(Cc2cnc(-c3ccco3)nc2)C1 ZINC000091645136 571021842 /nfs/dbraw/zinc/02/18/42/571021842.db2.gz 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818626500 /nfs/dbraw/zinc/62/65/00/818626500.db2.gz AZCRLTMVILMBTJ-CQSZACIVSA-N 0 3 387.430 4.474 50 0 GIAAHN COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000020783095 818631286 /nfs/dbraw/zinc/63/12/86/818631286.db2.gz MFQUSWGHXWNWKP-QFIPXVFZSA-N 0 3 389.499 4.481 50 0 GIAAHN COc1cccc([C@@H]2CCCC[N@H+]2Cc2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000020783095 818631290 /nfs/dbraw/zinc/63/12/90/818631290.db2.gz MFQUSWGHXWNWKP-QFIPXVFZSA-N 0 3 389.499 4.481 50 0 GIAAHN Cc1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)CN(C)CC3)c1 ZINC000020927264 818640857 /nfs/dbraw/zinc/64/08/57/818640857.db2.gz RURDTDWRCGJLKL-UHFFFAOYSA-N 0 3 380.517 4.157 50 0 GIAAHN C[C@H](NC(=O)[C@H](C)N1CCC(CCc2ccc(O)cc2)CC1)c1ccccc1 ZINC000040050460 821127734 /nfs/dbraw/zinc/12/77/34/821127734.db2.gz STWPZUOBLOGZBR-OALUTQOASA-N 0 3 380.532 4.303 50 0 GIAAHN CCC(=O)N(C1CCOCC1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169760528 823912508 /nfs/dbraw/zinc/91/25/08/823912508.db2.gz OGPNBIUEZFISED-UHFFFAOYSA-N 0 3 398.469 4.087 50 0 GIAAHN CN(Cc1cccc(O)c1)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000426546241 529995003 /nfs/dbraw/zinc/99/50/03/529995003.db2.gz RTQMZFFPBLQIDW-JOCHJYFZSA-N 0 3 381.520 4.151 50 0 GIAAHN O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)c1ccc2c(c1)OCO2 ZINC000010330601 212247394 /nfs/dbraw/zinc/24/73/94/212247394.db2.gz AMNPDTJVYOSQBS-NRFANRHFSA-N 0 3 388.467 4.135 50 0 GIAAHN CCOc1ccc(NC(=O)c2ccc(NC(=O)CNC(C)(C)CC)cc2)cc1 ZINC000009390227 212193674 /nfs/dbraw/zinc/19/36/74/212193674.db2.gz JFNMXNLKKRHVBW-UHFFFAOYSA-N 0 3 383.492 4.054 50 0 GIAAHN CCOC(=O)c1c2c(sc1NC(=O)CCN1CCC(C)CC1)C[C@H](C)CC2 ZINC000000719338 212178347 /nfs/dbraw/zinc/17/83/47/212178347.db2.gz CSZJIQSHZDOBNJ-OAHLLOKOSA-N 0 3 392.565 4.110 50 0 GIAAHN COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2 ZINC000000597013 212163792 /nfs/dbraw/zinc/16/37/92/212163792.db2.gz ADEBPBSSDYVVLD-FQEVSTJZSA-N 0 3 379.500 4.361 50 0 fda GIAAHN Cc1nc([C@H]2CCCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)n[nH]1 ZINC000095966314 212154563 /nfs/dbraw/zinc/15/45/63/212154563.db2.gz ODBAPXXASOCMBB-KRWDZBQOSA-N 0 3 397.910 4.120 50 0 GIAAHN Cc1n[nH]c([C@H]2CCCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)n1 ZINC000095966314 212154566 /nfs/dbraw/zinc/15/45/66/212154566.db2.gz ODBAPXXASOCMBB-KRWDZBQOSA-N 0 3 397.910 4.120 50 0 GIAAHN Cc1nnc([C@H]2CCCN(Cc3cc(Cl)ccc3OCc3cccnc3)C2)[nH]1 ZINC000095966314 212154569 /nfs/dbraw/zinc/15/45/69/212154569.db2.gz ODBAPXXASOCMBB-KRWDZBQOSA-N 0 3 397.910 4.120 50 0 GIAAHN CCOC(=O)[C@@H]1CCCN(CCCOc2ccc(OCc3ccccc3)cc2)C1 ZINC000008730049 221052520 /nfs/dbraw/zinc/05/25/20/221052520.db2.gz AULVKAQULIYBLC-OAQYLSRUSA-N 0 3 397.515 4.310 50 0 GIAAHN Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCCN3C3CCSCC3)cc2)n1 ZINC000011818296 221127610 /nfs/dbraw/zinc/12/76/10/221127610.db2.gz UFQTYRVJHNFYPS-OAQYLSRUSA-N 0 3 398.576 4.178 50 0 GIAAHN Cc1ccc(C)c(-n2cc(CN(C)CCn3ccnc3)c(-c3ccccc3)n2)c1 ZINC000011819570 221129755 /nfs/dbraw/zinc/12/97/55/221129755.db2.gz WBBGAVPWXHIICM-UHFFFAOYSA-N 0 3 385.515 4.485 50 0 GIAAHN Cc1cccc(N2CCN([C@H]3CCC(=O)N(CCCC(C)C)CC3)CC2)c1C ZINC000011841135 221131330 /nfs/dbraw/zinc/13/13/30/221131330.db2.gz ODSOVUIGFAZOSE-QFIPXVFZSA-N 0 3 385.596 4.243 50 0 GIAAHN CSCc1ccc(C(=O)N(CCc2ccccc2)CC2CCN(C)CC2)o1 ZINC000011703720 221123251 /nfs/dbraw/zinc/12/32/51/221123251.db2.gz MLZJHALOKRBJNL-UHFFFAOYSA-N 0 3 386.561 4.169 50 0 GIAAHN CC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCCN(CCc2ccccc2C)C1 ZINC000012052206 221144668 /nfs/dbraw/zinc/14/46/68/221144668.db2.gz QQDINRFWMVVPEV-OAQYLSRUSA-N 0 3 392.543 4.224 50 0 GIAAHN O=C(CCc1ccsc1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000012073687 221146313 /nfs/dbraw/zinc/14/63/13/221146313.db2.gz YSYCFAYLBHPWEK-QFIPXVFZSA-N 0 3 386.536 4.335 50 0 GIAAHN CSCc1ccc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)o1 ZINC000012297804 221176249 /nfs/dbraw/zinc/17/62/49/221176249.db2.gz KOOFFMQKJXKDIU-LJQANCHMSA-N 0 3 386.561 4.312 50 0 GIAAHN CCn1nc(C)c(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)c1C ZINC000012303784 221177415 /nfs/dbraw/zinc/17/74/15/221177415.db2.gz 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ZINC000012596037 221213140 /nfs/dbraw/zinc/21/31/40/221213140.db2.gz JGYUMJKXUWWNEQ-JOCHJYFZSA-N 0 3 398.591 4.379 50 0 GIAAHN COC[C@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)C1 ZINC000012718794 221221069 /nfs/dbraw/zinc/22/10/69/221221069.db2.gz UNJRJZIRFUHKIL-KRWDZBQOSA-N 0 3 395.478 4.155 50 0 GIAAHN COCCCNCc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000013722595 221284407 /nfs/dbraw/zinc/28/44/07/221284407.db2.gz MMGQYXGHGYUHGC-UHFFFAOYSA-N 0 3 378.310 4.463 50 0 GIAAHN COc1c(Br)cc(Br)cc1CNCCCOC(C)C ZINC000013721926 221284673 /nfs/dbraw/zinc/28/46/73/221284673.db2.gz VTVRCYRGVPZYDO-UHFFFAOYSA-N 0 3 395.135 4.125 50 0 GIAAHN O=C(NC1CCCC1)c1ccc(OC2CCN(C3CCC3)CC2)c(Cl)c1 ZINC000014968733 221322006 /nfs/dbraw/zinc/32/20/06/221322006.db2.gz HWWHXTUKRFLNBH-UHFFFAOYSA-N 0 3 376.928 4.408 50 0 GIAAHN CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cc3ccccc3s1)CCO2 ZINC000014879541 221318168 /nfs/dbraw/zinc/31/81/68/221318168.db2.gz MLEOYGKUBPRSJH-QHCPKHFHSA-N 0 3 396.556 4.065 50 0 GIAAHN Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC[C@H](O)C1 ZINC000014954070 221320504 /nfs/dbraw/zinc/32/05/04/221320504.db2.gz LNPWVADUQVMUFH-SFHVURJKSA-N 0 3 383.442 4.083 50 0 GIAAHN C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1CN(C)C)c1ccco1 ZINC000014984222 221324971 /nfs/dbraw/zinc/32/49/71/221324971.db2.gz OTRPIFBTVALIHK-KRWDZBQOSA-N 0 3 378.472 4.264 50 0 GIAAHN Cc1ccccc1[C@H](CC(=O)N1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000015063434 221327942 /nfs/dbraw/zinc/32/79/42/221327942.db2.gz ZAOWOKKDACMSFM-XMMPIXPASA-N 0 3 385.511 4.261 50 0 GIAAHN COC(=O)c1ccc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1 ZINC000015068366 221329888 /nfs/dbraw/zinc/32/98/88/221329888.db2.gz NJXGLRHPXSRGTK-QGZVFWFLSA-N 0 3 398.478 4.243 50 0 GIAAHN O=C(CC[C@@H]1CCCN(Cc2cccc(O)c2)C1)NCc1ccccc1Cl ZINC000015066474 221329985 /nfs/dbraw/zinc/32/99/85/221329985.db2.gz HUFQYVJHEMGUCG-KRWDZBQOSA-N 0 3 386.923 4.354 50 0 GIAAHN O=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000015077153 221331341 /nfs/dbraw/zinc/33/13/41/221331341.db2.gz CRDZHSJVIGWTMX-JXMROGBWSA-N 0 3 386.499 4.486 50 0 GIAAHN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)no2)cc1 ZINC000015859714 221349111 /nfs/dbraw/zinc/34/91/11/221349111.db2.gz AXGZBSLANRJIRZ-NRFANRHFSA-N 0 3 375.472 4.217 50 0 GIAAHN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000016599299 221365985 /nfs/dbraw/zinc/36/59/85/221365985.db2.gz YNOHARVRHTXJIW-SUMWQHHRSA-N 0 3 381.303 4.180 50 0 GIAAHN CCn1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)c2cc(OC)ccc21 ZINC000065060011 222097752 /nfs/dbraw/zinc/09/77/52/222097752.db2.gz LDQPASGJDCOPHH-UHFFFAOYSA-N 0 3 397.563 4.331 50 0 GIAAHN O=C(N[C@@H]1CCc2ccccc21)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000058168029 222042620 /nfs/dbraw/zinc/04/26/20/222042620.db2.gz XSBXZBORHPOUBY-TZIWHRDSSA-N 0 3 388.433 4.245 50 0 GIAAHN O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000058399794 222052530 /nfs/dbraw/zinc/05/25/30/222052530.db2.gz TYBSREORPPYHTB-IBGZPJMESA-N 0 3 397.569 4.367 50 0 GIAAHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC(CCc2ccccc2)CC1 ZINC000069443197 222172848 /nfs/dbraw/zinc/17/28/48/222172848.db2.gz HGVLHJLNTZUMJY-XMMPIXPASA-N 0 3 391.559 4.165 50 0 GIAAHN CN1CCC[C@H](C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)C1 ZINC000071375389 222182946 /nfs/dbraw/zinc/18/29/46/222182946.db2.gz LVJQRJOPJBUQCJ-IBGZPJMESA-N 0 3 378.516 4.495 50 0 GIAAHN Cc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)cc1O ZINC000071730304 222186752 /nfs/dbraw/zinc/18/67/52/222186752.db2.gz QMKFWODLGIXDQL-OAQYLSRUSA-N 0 3 384.495 4.212 50 0 GIAAHN OCCOc1ccccc1CN1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000071775005 222198443 /nfs/dbraw/zinc/19/84/43/222198443.db2.gz FRIPIBOMYUUUGK-KRWDZBQOSA-N 0 3 375.459 4.181 50 0 GIAAHN CCc1ccc(CN2CCC[C@]3(CCC(=O)N(Cc4ccccc4)C3)C2)nc1 ZINC000072435987 222261440 /nfs/dbraw/zinc/26/14/40/222261440.db2.gz BJQUFUXEFKCYTE-DEOSSOPVSA-N 0 3 377.532 4.049 50 0 GIAAHN Cc1ccc(CN2CCC(CN(C)C(=O)c3ccc4ncsc4c3)CC2)o1 ZINC000095497159 222332145 /nfs/dbraw/zinc/33/21/45/222332145.db2.gz TWFVNLHIOWTPJH-UHFFFAOYSA-N 0 3 383.517 4.182 50 0 GIAAHN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H]1CN1CCCC1 ZINC000084335367 222315291 /nfs/dbraw/zinc/31/52/91/222315291.db2.gz PRIXXNOUECMGSZ-HNNXBMFYSA-N 0 3 394.359 4.425 50 0 GIAAHN Cc1ccc(CN2CCC(CN(C)C(=O)c3ccc(-c4cnco4)cc3)CC2)o1 ZINC000095521179 222347321 /nfs/dbraw/zinc/34/73/21/222347321.db2.gz IWHPVTWVQNYNQI-UHFFFAOYSA-N 0 3 393.487 4.227 50 0 GIAAHN Cc1noc(C)c1CNC1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095525736 222350381 /nfs/dbraw/zinc/35/03/81/222350381.db2.gz YSTMKZBTSATDJR-UHFFFAOYSA-N 0 3 376.913 4.313 50 0 GIAAHN CC(=O)c1ccc(F)cc1-c1ccc(C(=O)N2CCCN(C(C)C)CC2)cc1 ZINC000426361297 527284939 /nfs/dbraw/zinc/28/49/39/527284939.db2.gz PAASOOIXPDMMBT-UHFFFAOYSA-N 0 3 382.479 4.252 50 0 GIAAHN COc1ccc([C@H](CNC(=O)CCc2c[nH]c3ccccc23)N2CCCC2)cc1 ZINC000006083808 570209812 /nfs/dbraw/zinc/20/98/12/570209812.db2.gz IFVYWZSWLZTYHG-QHCPKHFHSA-N 0 3 391.515 4.062 50 0 GIAAHN O=C(Nc1nc(C(F)(F)F)cs1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000097307872 570210396 /nfs/dbraw/zinc/21/03/96/570210396.db2.gz DKHZGGXILTWMHP-ZDUSSCGKSA-N 0 3 384.427 4.121 50 0 GIAAHN Cc1ccc(OCC(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019831517 570223104 /nfs/dbraw/zinc/22/31/04/570223104.db2.gz NXGTTWZHODGUFY-UHFFFAOYSA-N 0 3 392.543 4.244 50 0 GIAAHN Cn1ccnc1[C@H](O)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000020119373 570241381 /nfs/dbraw/zinc/24/13/81/570241381.db2.gz NDDYQLLHERQXBV-JOCHJYFZSA-N 0 3 379.479 4.172 50 0 GIAAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000020212092 570248687 /nfs/dbraw/zinc/24/86/87/570248687.db2.gz FUYNFWCQALOYBN-OAQYLSRUSA-N 0 3 399.966 4.135 50 0 GIAAHN CCN1CCN(CCCCOc2ccc(Br)cc2C(C)C)CC1 ZINC000020389722 570254042 /nfs/dbraw/zinc/25/40/42/570254042.db2.gz CGWHXNUMGOFBHA-UHFFFAOYSA-N 0 3 383.374 4.369 50 0 GIAAHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(F)c1 ZINC000054956591 570254849 /nfs/dbraw/zinc/25/48/49/570254849.db2.gz GVRCBKDDPJTMAT-UHFFFAOYSA-N 0 3 389.474 4.400 50 0 GIAAHN CCOc1c(CNCCc2ccc(OC)c(OC)c2)cc(Cl)cc1OC ZINC000020476694 570260938 /nfs/dbraw/zinc/26/09/38/570260938.db2.gz WYFKREUTUNCZRN-UHFFFAOYSA-N 0 3 379.884 4.097 50 0 GIAAHN CCn1ccnc1CNC1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1 ZINC000020541746 570266681 /nfs/dbraw/zinc/26/66/81/570266681.db2.gz NPWYVNJBRYZCPT-UHFFFAOYSA-N 0 3 378.495 4.468 50 0 GIAAHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874832 570283180 /nfs/dbraw/zinc/28/31/80/570283180.db2.gz LCPHQKAIKLLOCK-SFHVURJKSA-N 0 3 377.912 4.487 50 0 GIAAHN Cc1ccc(CN2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc1 ZINC000034681836 570300184 /nfs/dbraw/zinc/30/01/84/570300184.db2.gz ZOXDXRYDIMMKMV-UHFFFAOYSA-N 0 3 380.536 4.087 50 0 GIAAHN COc1cc2c(cc1CN1CCC(C(N)=O)CC1)oc(C)c2-c1ccccc1 ZINC000022077726 570305166 /nfs/dbraw/zinc/30/51/66/570305166.db2.gz OWFQLOQYOQVGLR-UHFFFAOYSA-N 0 3 378.472 4.114 50 0 GIAAHN CN(Cc1cn(C)nc1-c1ccccc1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000023358954 570322054 /nfs/dbraw/zinc/32/20/54/570322054.db2.gz JCCUHWNEAQBIAH-QFIPXVFZSA-N 0 3 392.522 4.323 50 0 GIAAHN C[C@@H](NC[C@H](c1ccccc1)N(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022793306 570328213 /nfs/dbraw/zinc/32/82/13/570328213.db2.gz GUNZLIHKKYTFCQ-FZKQIMNGSA-N 0 3 380.319 4.213 50 0 GIAAHN COc1cccc(CNCCOc2ccccn2)c1OCc1ccc(C)cc1 ZINC000113396215 570331457 /nfs/dbraw/zinc/33/14/57/570331457.db2.gz REOSVASHRDXXNT-UHFFFAOYSA-N 0 3 378.472 4.146 50 0 GIAAHN CC(C)Oc1ccc(Br)cc1CNCCc1nc2ccccc2[nH]1 ZINC000113401257 570332333 /nfs/dbraw/zinc/33/23/33/570332333.db2.gz JNAXDOJQRQYNJC-UHFFFAOYSA-N 0 3 388.309 4.445 50 0 GIAAHN CC(C)[C@H](CNc1nc(-c2ccsc2)nc2ccccc21)N1CCN(C)CC1 ZINC000022916598 570335137 /nfs/dbraw/zinc/33/51/37/570335137.db2.gz OWZXRRKSEMPDCX-FQEVSTJZSA-N 0 3 395.576 4.042 50 0 GIAAHN Cc1ccc2ccc3cc(C(=O)NC4CCN(Cc5ccccc5)CC4)[nH]c3c2n1 ZINC000035373876 570346382 /nfs/dbraw/zinc/34/63/82/570346382.db2.gz GGPDWSROJILIDO-UHFFFAOYSA-N 0 3 398.510 4.419 50 0 GIAAHN O=C(CC1C(=O)N(C2CCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000023382351 570359899 /nfs/dbraw/zinc/35/98/99/570359899.db2.gz SUOLUOKUXBZCIK-LJQANCHMSA-N 0 3 392.434 4.035 50 0 GIAAHN CC(C)(C)CCN1CCC[C@H]1c1ccc(C(=O)NCCc2cnccn2)s1 ZINC000023543299 570365215 /nfs/dbraw/zinc/36/52/15/570365215.db2.gz MRENFUUHNFINJO-KRWDZBQOSA-N 0 3 386.565 4.084 50 0 GIAAHN CCN(CC)Cc1ccccc1CNC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000024183072 570380049 /nfs/dbraw/zinc/38/00/49/570380049.db2.gz KGWNTVDWMAPATE-UHFFFAOYSA-N 0 3 392.543 4.296 50 0 GIAAHN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CNC(C)(C)C)c1ccccc1CC2 ZINC000004728853 570398471 /nfs/dbraw/zinc/39/84/71/570398471.db2.gz MKJYFUZHQOPKOD-UHFFFAOYSA-N 0 3 395.503 4.406 50 0 GIAAHN COc1ccc([C@@H]2CCCCCN2C[C@@H](O)COc2ccc(C(C)=O)cc2)cc1 ZINC000025302155 570410262 /nfs/dbraw/zinc/41/02/62/570410262.db2.gz DULHVLGCGBGJSU-QPPBQGQZSA-N 0 3 397.515 4.255 50 0 GIAAHN COc1ccc([C@H]2CCCCCN2C[C@@H](O)COc2ccc(C(C)=O)cc2)cc1 ZINC000025302158 570410346 /nfs/dbraw/zinc/41/03/46/570410346.db2.gz DULHVLGCGBGJSU-ZJSXRUAMSA-N 0 3 397.515 4.255 50 0 GIAAHN CN(CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026922363 570429833 /nfs/dbraw/zinc/42/98/33/570429833.db2.gz TZBZWVDSFKYYRC-AWEZNQCLSA-N 0 3 395.286 4.094 50 0 GIAAHN COc1cccc(CN2C[C@H](C(=O)NCC3CC3)CC[C@H]2c2ccccc2)c1 ZINC000247919771 570430288 /nfs/dbraw/zinc/43/02/88/570430288.db2.gz XDXWLSYWIJRLAO-GGAORHGYSA-N 0 3 378.516 4.175 50 0 GIAAHN Cc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)N2CCCCC2)cc1 ZINC000027581686 570436435 /nfs/dbraw/zinc/43/64/35/570436435.db2.gz HSYYIDAVKFWAHG-NRFANRHFSA-N 0 3 386.923 4.371 50 0 GIAAHN COc1ccc(CNC[C@](C)(O)C(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000072289926 570483054 /nfs/dbraw/zinc/48/30/54/570483054.db2.gz JQNWRPDOEUIWQP-VWLOTQADSA-N 0 3 391.511 4.377 50 0 GIAAHN O[C@@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103553 570540129 /nfs/dbraw/zinc/54/01/29/570540129.db2.gz JGEVATDRWVHDKM-QFIPXVFZSA-N 0 3 375.468 4.021 50 0 GIAAHN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000225409623 570570620 /nfs/dbraw/zinc/57/06/20/570570620.db2.gz NHPHCBOMXGUBIK-BEFAXECRSA-N 0 3 381.524 4.087 50 0 GIAAHN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCN(C2CCCCC2)CC1 ZINC000006759133 570574392 /nfs/dbraw/zinc/57/43/92/570574392.db2.gz AKRGHPBIKIQOHY-UHFFFAOYSA-N 0 3 381.549 4.311 50 0 GIAAHN CCOc1cc(CNCCN(C)C)ccc1OCc1c(F)cccc1Cl ZINC000040720246 570604591 /nfs/dbraw/zinc/60/45/91/570604591.db2.gz SJMKFQHXJHIHQS-UHFFFAOYSA-N 0 3 380.891 4.108 50 0 GIAAHN COCCCNCc1cc(Br)ccc1OCc1ccccc1C ZINC000040739420 570611128 /nfs/dbraw/zinc/61/11/28/570611128.db2.gz NGBUFGSEUIGJQE-UHFFFAOYSA-N 0 3 378.310 4.463 50 0 GIAAHN O=C(NCCN1CCC(Cc2ccccc2)CC1)C1(n2cccc2)CCCCC1 ZINC000033019353 570639618 /nfs/dbraw/zinc/63/96/18/570639618.db2.gz OZEFPYZHENBALS-UHFFFAOYSA-N 0 3 393.575 4.218 50 0 GIAAHN CCN1CCC[C@H]1CNC(=S)N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000229583253 570665767 /nfs/dbraw/zinc/66/57/67/570665767.db2.gz WRTUEGUHJIBRCH-PZJWPPBQSA-N 0 3 399.629 4.275 50 0 GIAAHN O[C@@H](CN[C@@H]1CCSc2ccc(F)cc21)COCc1ccccc1Cl ZINC000036396213 570679716 /nfs/dbraw/zinc/67/97/16/570679716.db2.gz YJZKYLICWBIDMW-MAUKXSAKSA-N 0 3 381.900 4.183 50 0 GIAAHN Cc1csc2nc(CN(Cc3ccc(Cl)cc3)CC(C)C)cc(=O)n12 ZINC000033068918 570768434 /nfs/dbraw/zinc/76/84/34/570768434.db2.gz PIJMGCKKSFJTKC-UHFFFAOYSA-N 0 3 375.925 4.376 50 0 GIAAHN CCN1CCN(c2cc(CN[C@@H](c3cc4ccccc4o3)C(C)C)ccn2)CC1 ZINC000170592010 570849818 /nfs/dbraw/zinc/84/98/18/570849818.db2.gz COYPPWORAJBJOL-XMMPIXPASA-N 0 3 392.547 4.457 50 0 GIAAHN Cc1csc(C2=C(N)N(CCC3CCN(Cc4ccccc4)CC3)CC2=O)n1 ZINC000102734877 570859926 /nfs/dbraw/zinc/85/99/26/570859926.db2.gz PEBNGEHXRFEEDQ-UHFFFAOYSA-N 0 3 396.560 4.316 50 0 GIAAHN CCCOc1ccc([C@H](C)NC(=O)C2CCN(C3CC3)CC2)cc1OCCC ZINC000170615738 570873417 /nfs/dbraw/zinc/87/34/17/570873417.db2.gz WVXWRTGEEXXKRI-KRWDZBQOSA-N 0 3 388.552 4.316 50 0 GIAAHN Cc1ccc(-c2noc3ncnc(N(CCN(C)C)Cc4ccccc4)c23)cc1 ZINC000033269115 570894791 /nfs/dbraw/zinc/89/47/91/570894791.db2.gz YRQGYILVHVTDBH-UHFFFAOYSA-N 0 3 387.487 4.161 50 0 GIAAHN CN(CCCNC(=O)c1cccnc1Sc1ccccc1)Cc1ccccc1 ZINC000022507277 570900511 /nfs/dbraw/zinc/90/05/11/570900511.db2.gz GDGJYRBDHHTKAR-UHFFFAOYSA-N 0 3 391.540 4.485 50 0 GIAAHN CC1CCN([C@@H](CNc2ccc(C(=O)N3CCCC3)cn2)c2cccs2)CC1 ZINC000032908979 570909882 /nfs/dbraw/zinc/90/98/82/570909882.db2.gz PBSXKEWSTDMLTC-IBGZPJMESA-N 0 3 398.576 4.264 50 0 GIAAHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc(F)cc(F)c1 ZINC000089702560 570910117 /nfs/dbraw/zinc/91/01/17/570910117.db2.gz JVLHRNVWYZTSNN-HXUWFJFHSA-N 0 3 396.441 4.169 50 0 GIAAHN O=S(=O)(CCCN[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000089830195 570916602 /nfs/dbraw/zinc/91/66/02/570916602.db2.gz LWDRUYAQNDHQBQ-HSZRJFAPSA-N 0 3 379.525 4.424 50 0 GIAAHN O=C1CC[C@@]2(CCCN(CCSc3ccccc3)C2)CN1Cc1ccccn1 ZINC000091494064 571011354 /nfs/dbraw/zinc/01/13/54/571011354.db2.gz XGQZZIXPIUVBRU-HSZRJFAPSA-N 0 3 395.572 4.079 50 0 GIAAHN CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000091893311 571035275 /nfs/dbraw/zinc/03/52/75/571035275.db2.gz WNJBNSSJRSRCLT-HXUWFJFHSA-N 0 3 378.516 4.124 50 0 GIAAHN CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000091893311 571035277 /nfs/dbraw/zinc/03/52/77/571035277.db2.gz WNJBNSSJRSRCLT-HXUWFJFHSA-N 0 3 378.516 4.124 50 0 GIAAHN CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000092081337 571044453 /nfs/dbraw/zinc/04/44/53/571044453.db2.gz NYJZDVWGYVVFHL-NRFANRHFSA-N 0 3 378.516 4.124 50 0 GIAAHN CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3cccc([O-])c3)CC2)C1 ZINC000092081337 571044455 /nfs/dbraw/zinc/04/44/55/571044455.db2.gz NYJZDVWGYVVFHL-NRFANRHFSA-N 0 3 378.516 4.124 50 0 GIAAHN COc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370021 571060261 /nfs/dbraw/zinc/06/02/61/571060261.db2.gz SDCJJWKHAOVFKK-YTFSRNRJSA-N 0 3 391.515 4.098 50 0 GIAAHN CN1CCCCC[C@@H]1C(=O)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 ZINC000095373619 571062930 /nfs/dbraw/zinc/06/29/30/571062930.db2.gz MPBIPEKFMLYYGG-HSZRJFAPSA-N 0 3 390.531 4.009 50 0 GIAAHN 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