smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2cccnc2n([C@H]2CCCN(C(=O)CN3CCCCCC3)C2)c1=O ZINC000257176532 793822162 /nfs/dbraw/zinc/82/21/62/793822162.db2.gz ALRFEPJPGQWRRB-INIZCTEOSA-N 0 3 371.485 1.775 50 0 FDAAHN O=C(CCO)N1CC[C@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000257188095 793967252 /nfs/dbraw/zinc/96/72/52/793967252.db2.gz DMXYFOHPMHTQNI-KRWDZBQOSA-N 0 3 369.469 1.035 50 0 FDAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CN[C@H](C)Cn1cncn1 ZINC000012445371 882011611 /nfs/dbraw/zinc/01/16/11/882011611.db2.gz PQEIVPONLNZITJ-OAHLLOKOSA-N 0 3 369.473 1.976 50 0 FDAAHN COC[C@H](O)CNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000011663320 892163027 /nfs/dbraw/zinc/16/30/27/892163027.db2.gz CZDNBVLIOPLMMI-MRXNPFEDSA-N 0 3 374.485 1.756 50 0 FDAAHN CN1CCOC[C@H](CNC(=O)N(Cc2cccnc2)Cc2cccnc2)C1 ZINC000823801139 922100160 /nfs/dbraw/zinc/10/01/60/922100160.db2.gz KRZFPHLRHGEIHW-LJQANCHMSA-N 0 3 369.469 1.767 50 0 FDAAHN COCCN1CC[C@@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 ZINC000824412435 922985907 /nfs/dbraw/zinc/98/59/07/922985907.db2.gz RDTPWEOMWHCXOW-ZDUSSCGKSA-N 0 3 369.512 1.851 50 0 FDAAHN C[C@@H]1CN(C2CCN(C(=O)[C@H]3CC(=O)OC34CCCC4)CC2)C[C@H](C)O1 ZINC000828244542 924857192 /nfs/dbraw/zinc/85/71/92/924857192.db2.gz LNUFXNQHSZMBIN-HLLBOEOZSA-N 0 3 364.486 1.963 50 0 FDAAHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000007728853 204305041 /nfs/dbraw/zinc/30/50/41/204305041.db2.gz CFBYGHLCMBCYOA-UHFFFAOYSA-N 0 3 365.499 1.972 50 0 FDAAHN CN(C)CCNC(=O)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000009052682 204352869 /nfs/dbraw/zinc/35/28/69/204352869.db2.gz AVRQBJJCBVYZBJ-UKTHLTGXSA-N 0 3 351.403 1.540 50 0 FDAAHN C[C@H](NC(=O)c1cccs1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008744024 204342917 /nfs/dbraw/zinc/34/29/17/204342917.db2.gz LEHWZWOVTNARTB-LBPRGKRZSA-N 0 3 373.482 1.253 50 0 FDAAHN Cc1ccccc1CN(CCN1CCOCC1)C[C@H](O)COC(C)C ZINC000036104367 205004711 /nfs/dbraw/zinc/00/47/11/205004711.db2.gz SUMHXMMZPUEKDB-FQEVSTJZSA-N 0 3 350.503 1.915 50 0 FDAAHN COc1cccc(CNCCSC)c1OC[C@@H](O)CN1CCOCC1 ZINC000039466392 205046195 /nfs/dbraw/zinc/04/61/95/205046195.db2.gz AIBUQZGIJJLBRW-INIZCTEOSA-N 0 3 370.515 1.220 50 0 FDAAHN NC(=O)C1CCN(CCCNC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000040118831 205057599 /nfs/dbraw/zinc/05/75/99/205057599.db2.gz NXOQDHMIMWXABU-UHFFFAOYSA-N 0 3 357.410 1.110 50 0 FDAAHN O=C(CCc1ccccc1)NC1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC000048253237 205153616 /nfs/dbraw/zinc/15/36/16/205153616.db2.gz QOOMWUWJJQEUCT-IBGZPJMESA-N 0 3 356.470 1.457 50 0 FDAAHN CC(C(=O)N[C@H]1CCOc2ccc(Br)cc21)S(C)(=O)=O ZINC000053411572 205193930 /nfs/dbraw/zinc/19/39/30/205193930.db2.gz WKMDEOIDWQTQDF-KCJUWKMLSA-N 0 3 362.245 1.822 50 0 FDAAHN Cc1cc(NC(=O)CSCC(=O)NC[C@H](C)N2CCC(C)CC2)no1 ZINC000058168613 205253519 /nfs/dbraw/zinc/25/35/19/205253519.db2.gz QAUANKGFLQMLQB-ZDUSSCGKSA-N 0 3 368.503 1.891 50 0 FDAAHN CCN1CCN(CCNC(=O)CCc2ccnc(N3CCCC3)c2)CC1 ZINC000065269696 205333021 /nfs/dbraw/zinc/33/30/21/205333021.db2.gz RMGPZKWWMTYJIS-UHFFFAOYSA-N 0 3 359.518 1.368 50 0 FDAAHN C[C@@H](C(=O)NCCN(C)C)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000065061763 205316904 /nfs/dbraw/zinc/31/69/04/205316904.db2.gz VPRQOEPGBFLNER-CYBMUJFWSA-N 0 3 373.544 1.463 50 0 FDAAHN NS(=O)(=O)c1ccc(CNCCC(=O)NC2CCCCCC2)cc1 ZINC000065426352 205350438 /nfs/dbraw/zinc/35/04/38/205350438.db2.gz LJPOEEQGSXYFMY-UHFFFAOYSA-N 0 3 353.488 1.653 50 0 FDAAHN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCN(CC(C)C)CC1 ZINC000067514223 205374863 /nfs/dbraw/zinc/37/48/63/205374863.db2.gz LCSQZGUBHSINHV-UHFFFAOYSA-N 0 3 353.488 1.446 50 0 FDAAHN CCN(CC)Cc1cnc2c(C(=O)NCCn3ccnc3C)cnn2c1 ZINC000067515514 205375637 /nfs/dbraw/zinc/37/56/37/205375637.db2.gz IUGQMMVTCQSVFY-UHFFFAOYSA-N 0 3 355.446 1.506 50 0 FDAAHN CN1CCC2(CC1)CN(C(=O)c1cccc(-c3nc[nH]n3)c1)CCN2C ZINC000067605308 205377145 /nfs/dbraw/zinc/37/71/45/205377145.db2.gz MNESQWVMZRGFSS-UHFFFAOYSA-N 0 3 354.458 1.324 50 0 FDAAHN COc1cc2[nH]c(=O)c(CN3CCC[C@@H](CO)C3)cc2c(OC)c1OC ZINC000067727103 205387726 /nfs/dbraw/zinc/38/77/26/205387726.db2.gz UYKKJSYQBFPTRM-GFCCVEGCSA-N 0 3 362.426 1.758 50 0 FDAAHN CN1CCC2(CC1)CN(C(=O)[C@@]13CC[C@@](C)(OC1=O)C3(C)C)CCN2C ZINC000067726577 205388258 /nfs/dbraw/zinc/38/82/58/205388258.db2.gz GPDJGPYNXHAJRX-QUCCMNQESA-N 0 3 363.502 1.347 50 0 FDAAHN CC(C)C[C@@H](NC(=O)c1cc2ccccn2n1)c1nnc2n1CCNCC2 ZINC000067771505 205391598 /nfs/dbraw/zinc/39/15/98/205391598.db2.gz DHHNYDDWZVYWAC-OAHLLOKOSA-N 0 3 367.457 1.589 50 0 FDAAHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2nc3cc(F)ccc3[nH]2)CC1=O ZINC000067872719 205399440 /nfs/dbraw/zinc/39/94/40/205399440.db2.gz MHEJUBWAWDOFNH-GFCCVEGCSA-N 0 3 361.421 1.071 50 0 FDAAHN O=C(NCCSc1ccccn1)[C@H]1CNC[C@H](C(=O)N2CCCC2)C1 ZINC000095384015 205747179 /nfs/dbraw/zinc/74/71/79/205747179.db2.gz NKPNWGZBZIDJAL-HUUCEWRRSA-N 0 3 362.499 1.138 50 0 FDAAHN O=C1NCCN1C1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000193690851 206328961 /nfs/dbraw/zinc/32/89/61/206328961.db2.gz AVOQSYBOPCGBPS-HNNXBMFYSA-N 0 3 353.850 1.569 50 0 FDAAHN Cc1ccc2nc(COCC(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N(C)C)[nH]c2c1 ZINC000219050525 206378396 /nfs/dbraw/zinc/37/83/96/206378396.db2.gz DNUTVSDWLCRSHG-YJQAKTFBSA-N 0 3 358.442 1.222 50 0 FDAAHN Cc1cc(N2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(N)n1 ZINC000091585679 132202293 /nfs/dbraw/zinc/20/22/93/132202293.db2.gz ZHQLHISIJGARER-IBGZPJMESA-N 0 3 358.490 1.280 50 0 FDAAHN CNC(=O)c1cccnc1N1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC000091593694 132202307 /nfs/dbraw/zinc/20/23/07/132202307.db2.gz LUTOTUUWTSIZLB-UHFFFAOYSA-N 0 3 373.501 1.212 50 0 FDAAHN COc1ccccc1N1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1(C)C ZINC000091820332 132204112 /nfs/dbraw/zinc/20/41/12/132204112.db2.gz VFYRABIJEWRBHX-HNNXBMFYSA-N 0 3 357.458 1.416 50 0 FDAAHN COc1ccccc1N1CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1(C)C ZINC000091820332 132204113 /nfs/dbraw/zinc/20/41/13/132204113.db2.gz VFYRABIJEWRBHX-HNNXBMFYSA-N 0 3 357.458 1.416 50 0 FDAAHN CCn1c(Cn2cccn2)nnc1C1CCN(c2cc(C)nc(N)n2)CC1 ZINC000091965961 132204950 /nfs/dbraw/zinc/20/49/50/132204950.db2.gz AXGIGKWMSKFPMX-UHFFFAOYSA-N 0 3 367.461 1.607 50 0 FDAAHN Cc1cc(N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)nc(N(C)C)n1 ZINC000092062043 132205994 /nfs/dbraw/zinc/20/59/94/132205994.db2.gz LNLFILHAOKFPJN-UHFFFAOYSA-N 0 3 374.533 1.622 50 0 FDAAHN COCCN1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000095530919 132215292 /nfs/dbraw/zinc/21/52/92/132215292.db2.gz PQQTTXWIPYTNPN-SFHVURJKSA-N 0 3 360.502 1.869 50 0 FDAAHN c1cnc(N2CCN3CCCC[C@@H]3C2)c(N2CCN3CCCC[C@@H]3C2)n1 ZINC000095997107 132216727 /nfs/dbraw/zinc/21/67/27/132216727.db2.gz UNSIANNRJHXUCD-QZTJIDSGSA-N 0 3 356.518 1.826 50 0 FDAAHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000253418254 132293967 /nfs/dbraw/zinc/29/39/67/132293967.db2.gz MZGQRFLZLUSHJU-RHSMWYFYSA-N 0 3 360.458 1.133 50 0 FDAAHN Cc1cc(N2CCN(C(=O)Nc3ccc4c(c3)nnn4C)CC2)nc(N)n1 ZINC000299766852 132298180 /nfs/dbraw/zinc/29/81/80/132298180.db2.gz GJMALXPVCSMKMU-UHFFFAOYSA-N 0 3 367.417 1.003 50 0 FDAAHN CC[C@@H]1CCCCN1CC(=O)N1CCN(c2ccc3nccn3n2)CC1 ZINC000299766423 132298344 /nfs/dbraw/zinc/29/83/44/132298344.db2.gz IXBBZBMCXZZRDW-MRXNPFEDSA-N 0 3 356.474 1.642 50 0 FDAAHN COc1ccc([C@@H]2NC(=N)NC(=N)N2c2ccccc2OC)cc1OC ZINC000003076374 132384755 /nfs/dbraw/zinc/38/47/55/132384755.db2.gz KFYMGFXGGWZEQJ-MRXNPFEDSA-N 0 3 355.398 1.861 50 0 FDAAHN O[C@@H]1CN(c2cnccn2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 ZINC000071747587 136140064 /nfs/dbraw/zinc/14/00/64/136140064.db2.gz HEAJOUHZOUCWAU-WOJBJXKFSA-N 0 3 367.497 1.277 50 0 FDAAHN CN(Cc1[nH]nc2c1CCCC2)C(=O)c1cn(CCN2CCCCC2)nn1 ZINC000012316973 518603113 /nfs/dbraw/zinc/60/31/13/518603113.db2.gz FXVKLHAVCXELSS-UHFFFAOYSA-N 0 3 371.489 1.638 50 0 FDAAHN CN(C)Cc1ccc(CNC(=O)c2ccc(N3CCOCC3)nc2)cc1 ZINC000012890509 518640850 /nfs/dbraw/zinc/64/08/50/518640850.db2.gz KQSTZRFPHJVZOH-UHFFFAOYSA-N 0 3 354.454 1.910 50 0 FDAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000013625596 518663134 /nfs/dbraw/zinc/66/31/34/518663134.db2.gz NZYXEJQFJCVIAO-LBPRGKRZSA-N 0 3 367.471 1.691 50 0 FDAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C1=NNC(=O)CC1 ZINC000014975151 518702833 /nfs/dbraw/zinc/70/28/33/518702833.db2.gz DVOYMERQSYTGGG-UHFFFAOYSA-N 0 3 374.460 1.805 50 0 FDAAHN COCCNCc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1 ZINC000014976510 518703205 /nfs/dbraw/zinc/70/32/05/518703205.db2.gz PIVYZXUVECOUAN-MRXNPFEDSA-N 0 3 370.515 1.220 50 0 FDAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCSCC1 ZINC000014963820 518703248 /nfs/dbraw/zinc/70/32/48/518703248.db2.gz HLHHZKXXPJIRCR-QGZVFWFLSA-N 0 3 356.438 1.867 50 0 FDAAHN O=C(c1ccc(OC2CCN(C[C@@H](O)CO)CC2)cc1)N1CCCCC1 ZINC000015064293 518707697 /nfs/dbraw/zinc/70/76/97/518707697.db2.gz AZRUNIOQECIGGO-QGZVFWFLSA-N 0 3 362.470 1.509 50 0 FDAAHN COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020051527 518842714 /nfs/dbraw/zinc/84/27/14/518842714.db2.gz HMUZYWWDNXUWTC-QGZVFWFLSA-N 0 3 358.442 1.023 50 0 FDAAHN CN1CCN([C@@H]2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2O)CC1 ZINC000020906361 518861486 /nfs/dbraw/zinc/86/14/86/518861486.db2.gz FMSCAAHULYFEMU-RTBURBONSA-N 0 3 372.538 1.993 50 0 FDAAHN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCN1CCN(CC)CC1 ZINC000022937694 518924037 /nfs/dbraw/zinc/92/40/37/518924037.db2.gz ISHGLLCXSYVETE-SFHVURJKSA-N 0 3 358.486 1.108 50 0 FDAAHN COc1cccc(CNC(=O)N2CCC[C@@H](Cn3cc(CN)nn3)C2)c1 ZINC000023145467 518932930 /nfs/dbraw/zinc/93/29/30/518932930.db2.gz UVWIGEYFOQNRKQ-OAHLLOKOSA-N 0 3 358.446 1.367 50 0 FDAAHN CCC[C@H]1CN(CCC(=O)NC)C[C@@H]1NC(=O)c1cnc(C2CC2)nc1 ZINC000091664489 521218733 /nfs/dbraw/zinc/21/87/33/521218733.db2.gz DPOSJCDCKPHUTC-HOCLYGCPSA-N 0 3 359.474 1.320 50 0 FDAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)NC[C@H]3CCCO3)c2C)C1 ZINC000069589645 521920500 /nfs/dbraw/zinc/92/05/00/521920500.db2.gz QYLRUOVWRTYOGU-MRXNPFEDSA-N 0 3 369.469 1.863 50 0 FDAAHN COc1ccc([C@@H](O)C(=O)N2CCC(N3CCSCC3)CC2)cc1 ZINC000071278923 522107105 /nfs/dbraw/zinc/10/71/05/522107105.db2.gz 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522173088 /nfs/dbraw/zinc/17/30/88/522173088.db2.gz BMDBWWCDFKIHCF-UHFFFAOYSA-N 0 3 367.453 1.600 50 0 FDAAHN CN(C)C[C@]1(O)CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)C1 ZINC000072156884 522183261 /nfs/dbraw/zinc/18/32/61/522183261.db2.gz WDOYCBKRDBKTLN-OAQYLSRUSA-N 0 3 369.465 1.759 50 0 FDAAHN OCCCN1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072167772 522193979 /nfs/dbraw/zinc/19/39/79/522193979.db2.gz BOZUUJCHVGXTCJ-SFHVURJKSA-N 0 3 361.486 1.380 50 0 FDAAHN O=C(NC[C@@H]1CCOC1)c1ccc2c(c1)CN(CCN1CCCCC1)C2=O ZINC000072407131 522237072 /nfs/dbraw/zinc/23/70/72/522237072.db2.gz DMMWOHJHPBXJNU-INIZCTEOSA-N 0 3 371.481 1.895 50 0 FDAAHN CCc1nnc(N2CCC[C@]3(CCC(=O)N(CCN(C)C)C3)C2)s1 ZINC000072409642 522240200 /nfs/dbraw/zinc/24/02/00/522240200.db2.gz WCUZNCIDBPCBGK-QGZVFWFLSA-N 0 3 351.520 1.871 50 0 FDAAHN Cn1c2ccc(NC(=O)CCc3cc4n(n3)CCCNC4)cc2oc1=O ZINC000072454159 522285349 /nfs/dbraw/zinc/28/53/49/522285349.db2.gz WCCGDQYIBRBZPW-UHFFFAOYSA-N 0 3 355.398 1.393 50 0 FDAAHN 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AHCDVMCAOUCWBB-ZDUSSCGKSA-N 0 3 371.503 1.520 50 0 FDAAHN CCOc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000065362100 205337693 /nfs/dbraw/zinc/33/76/93/205337693.db2.gz KBULOLIXZJOFCI-UHFFFAOYSA-N 0 3 369.487 1.062 50 0 FDAAHN Cc1nc(NCCNC(=O)c2ccccc2F)cc(N2CCOCC2)n1 ZINC000065364841 205339095 /nfs/dbraw/zinc/33/90/95/205339095.db2.gz UFMFECKSCZSIQM-UHFFFAOYSA-N 0 3 359.405 1.603 50 0 FDAAHN CC(=O)N1CCCN(CCn2cc(CNCc3ccccc3)cn2)CC1 ZINC000065397229 205345986 /nfs/dbraw/zinc/34/59/86/205345986.db2.gz SHONIYNVOZJIOX-UHFFFAOYSA-N 0 3 355.486 1.727 50 0 FDAAHN CN(C)CCN1C[C@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O ZINC000065406570 205348666 /nfs/dbraw/zinc/34/86/66/205348666.db2.gz ITUHARLSBCHTGJ-QGZVFWFLSA-N 0 3 359.470 1.508 50 0 FDAAHN COc1cccc(OCCN2CCN(c3ncnc4c3CCNC4)CC2)c1 ZINC000067432326 205370765 /nfs/dbraw/zinc/37/07/65/205370765.db2.gz XYOBOALRLYYBNX-UHFFFAOYSA-N 0 3 369.469 1.332 50 0 FDAAHN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCCN(C)C)[C@H](c2ccc(F)cc2)[N@@H+]1C ZINC000067587405 205376390 /nfs/dbraw/zinc/37/63/90/205376390.db2.gz BGTDMYHWDQMEAY-BXWFABGCSA-N 0 3 365.449 1.730 50 0 FDAAHN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCCN(C)C)[C@H](c2ccc(F)cc2)[N@H+]1C ZINC000067587405 205376392 /nfs/dbraw/zinc/37/63/92/205376392.db2.gz BGTDMYHWDQMEAY-BXWFABGCSA-N 0 3 365.449 1.730 50 0 FDAAHN Cc1nc(NCCNS(=O)(=O)c2ccccc2)cc(N2CCCC2)n1 ZINC000067601977 205376405 /nfs/dbraw/zinc/37/64/05/205376405.db2.gz RIIXVVDGWZQJLX-UHFFFAOYSA-N 0 3 361.471 1.776 50 0 FDAAHN Cc1nc(CC(=O)N[C@@H](c2nnc3n2CCNCC3)C(C)C)c(C)s1 ZINC000067588521 205377202 /nfs/dbraw/zinc/37/72/02/205377202.db2.gz RQGJRUQJYLBTPO-MRXNPFEDSA-N 0 3 362.503 1.553 50 0 FDAAHN Cc1ccc(-n2cccn2)c(CN2CCC3(CC2)C(=O)NCCCN3C)c1 ZINC000067675727 205381493 /nfs/dbraw/zinc/38/14/93/205381493.db2.gz NSWAADOBKCXRLF-UHFFFAOYSA-N 0 3 367.497 1.967 50 0 FDAAHN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1)c1nnc2n1CCNCC2 ZINC000067714755 205385459 /nfs/dbraw/zinc/38/54/59/205385459.db2.gz CNCJCVPCUAQJCW-OAHLLOKOSA-N 0 3 374.420 1.015 50 0 FDAAHN COCc1noc(CCNc2nc(-c3ccccc3)nc3c2CCNC3)n1 ZINC000067784421 205390646 /nfs/dbraw/zinc/39/06/46/205390646.db2.gz OXGPGTMIPPNCBC-UHFFFAOYSA-N 0 3 366.425 1.973 50 0 FDAAHN COc1cccc(CN2CCC[C@](O)(CNCc3ccc[nH]c3=O)C2=O)c1 ZINC000067805920 205394637 /nfs/dbraw/zinc/39/46/37/205394637.db2.gz ZBOOPHQIFQGREK-FQEVSTJZSA-N 0 3 371.437 1.027 50 0 FDAAHN O=C(CCn1cnnc1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072153042 205485088 /nfs/dbraw/zinc/48/50/88/205485088.db2.gz DJTROBRAIQSINH-DFQSSKMNSA-N 0 3 351.454 1.757 50 0 FDAAHN CCN(CC)CC(=O)N1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 ZINC000092046679 205713176 /nfs/dbraw/zinc/71/31/76/205713176.db2.gz LFNJBFARIKBRJN-UHFFFAOYSA-N 0 3 373.505 1.416 50 0 FDAAHN Cc1cc(C)nc(CCNC(=O)[C@H]2CC(=O)N(Cc3ccncc3)C2)n1 ZINC000095389455 205752070 /nfs/dbraw/zinc/75/20/70/205752070.db2.gz XRGQIZYHEWLTPH-INIZCTEOSA-N 0 3 353.426 1.196 50 0 FDAAHN CN1CCN(Cc2c[nH]c(CC3CCCC3)n2)C[C@@]12CCNC(=O)CC2 ZINC000107666886 206021380 /nfs/dbraw/zinc/02/13/80/206021380.db2.gz XUQBJVMOZKWLID-HXUWFJFHSA-N 0 3 359.518 1.929 50 0 FDAAHN O=S(=O)([N-]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1Br ZINC000044502517 206070260 /nfs/dbraw/zinc/07/02/60/206070260.db2.gz YACFYVLJWJLGGT-SECBINFHSA-N 0 3 351.241 1.866 50 0 FDAAHN O=C(CNC[C@@H]1CCCO1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000238103566 206112510 /nfs/dbraw/zinc/11/25/10/206112510.db2.gz VDRLRFVFRSFFDV-HKUYNNGSSA-N 0 3 350.434 1.866 50 0 FDAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)c1ccc(-n2cnnn2)cc1 ZINC000215042416 206344452 /nfs/dbraw/zinc/34/44/52/206344452.db2.gz SMUFCYLPZNUERF-SFHVURJKSA-N 0 3 362.437 1.882 50 0 FDAAHN O=C1CCN(Cc2cccc(OCCCCN3CCOCC3)c2)CCN1 ZINC000216187961 206356705 /nfs/dbraw/zinc/35/67/05/206356705.db2.gz SKWKPUKZDGTAKU-UHFFFAOYSA-N 0 3 361.486 1.500 50 0 FDAAHN CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2 ZINC000218861562 206375061 /nfs/dbraw/zinc/37/50/61/206375061.db2.gz DYSAVTNAUIHLEY-SFHVURJKSA-N 0 3 354.458 1.760 50 0 FDAAHN CCN1CC[C@@H](NC(=O)c2cccc(N3N=C(C)[C@@](O)(CC)C3=O)c2)C1 ZINC000220057803 206397649 /nfs/dbraw/zinc/39/76/49/206397649.db2.gz HULGZUIIFHJSHC-BEFAXECRSA-N 0 3 358.442 1.374 50 0 FDAAHN CN(C)[C@@H]1CCN(CC(=O)NCc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000220267131 206399056 /nfs/dbraw/zinc/39/90/56/206399056.db2.gz IETAPSBSFNOHSO-MRXNPFEDSA-N 0 3 361.877 1.982 50 0 FDAAHN O=C([C@H]1CC(=O)Nc2ccc(F)cc21)N1CCN(c2ccncc2)CC1 ZINC000091636935 132202760 /nfs/dbraw/zinc/20/27/60/132202760.db2.gz BZOJDSMJYUUJFB-INIZCTEOSA-N 0 3 354.385 1.995 50 0 FDAAHN COc1cc(N2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)ncn1 ZINC000230163755 132288954 /nfs/dbraw/zinc/28/89/54/132288954.db2.gz FXHBQOKBLRBXLS-LJQANCHMSA-N 0 3 359.474 1.398 50 0 FDAAHN Cc1nc(C2CCN(c3cc([C@H]4C[C@@H]([NH3+])C4)nc(N)n3)CC2)cc(=O)[n-]1 ZINC000244900157 132291848 /nfs/dbraw/zinc/29/18/48/132291848.db2.gz ZXBGUKAIBGAVKS-BETUJISGSA-N 0 3 355.446 1.452 50 0 FDAAHN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(c3ccncc3)CC1)C2=O ZINC000023641282 132908954 /nfs/dbraw/zinc/90/89/54/132908954.db2.gz VBNYDCDDJKBYGP-HNAYVOBHSA-N 0 3 357.458 1.662 50 0 FDAAHN CN(C)[C@H](CNC(=O)C1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000056202859 136127699 /nfs/dbraw/zinc/12/76/99/136127699.db2.gz LHZAXKVPDSSZPS-IBGZPJMESA-N 0 3 367.497 1.982 50 0 FDAAHN COc1ccccc1N1CCC(N2CCN[C@H](C(=O)NC3CC3)C2)CC1 ZINC000072131908 136142090 /nfs/dbraw/zinc/14/20/90/136142090.db2.gz WGRTUQBVUDYNDN-KRWDZBQOSA-N 0 3 358.486 1.216 50 0 FDAAHN CNCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000072149096 136142746 /nfs/dbraw/zinc/14/27/46/136142746.db2.gz VVJHQYMQGCLVDU-KRWDZBQOSA-N 0 3 350.894 1.672 50 0 FDAAHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C[S@@](C)=O)cc2)CC1 ZINC000181618617 174237082 /nfs/dbraw/zinc/23/70/82/174237082.db2.gz CMLPHDGZNBBFPO-IZHWHUGBSA-N 0 3 351.516 1.714 50 0 FDAAHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CC[C@](F)(CO)C1 ZINC000332727656 259290422 /nfs/dbraw/zinc/29/04/22/259290422.db2.gz SSAVCCVYGSVWJT-IEBWSBKVSA-N 0 3 365.449 1.393 50 0 FDAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000001060700 518225837 /nfs/dbraw/zinc/22/58/37/518225837.db2.gz 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/nfs/dbraw/zinc/67/30/78/518673078.db2.gz JWGCGDRBJGKJRP-OAHLLOKOSA-N 0 3 350.422 1.826 50 0 FDAAHN CCOC(=O)N1CCC(NCc2cccnc2N2CCC[C@@H](O)C2)CC1 ZINC000014977112 518703640 /nfs/dbraw/zinc/70/36/40/518703640.db2.gz DGOCDQXDMUYPDH-QGZVFWFLSA-N 0 3 362.474 1.753 50 0 FDAAHN CCN(CC)CCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000015677300 518731291 /nfs/dbraw/zinc/73/12/91/518731291.db2.gz KUPYZRJJRDAGIA-LLVKDONJSA-N 0 3 357.501 1.739 50 0 FDAAHN C[C@H]1CCC(=O)N1c1ccc(N2CCC(N[C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000019111981 518802444 /nfs/dbraw/zinc/80/24/44/518802444.db2.gz ZMJVSDAEFPOOLE-HNAYVOBHSA-N 0 3 370.497 1.991 50 0 FDAAHN CC(C)(C)CN1CCC[C@](O)(CN2CCN(CC3CCC3)CC2)C1=O ZINC000020601739 518853965 /nfs/dbraw/zinc/85/39/65/518853965.db2.gz XNFPDTQQSVFTMI-FQEVSTJZSA-N 0 3 351.535 1.804 50 0 FDAAHN CC(C)(C)CN1CCN(Cc2ccc(OCCO)cc2)C[C@@H]1CCO ZINC000020780553 518857902 /nfs/dbraw/zinc/85/79/02/518857902.db2.gz QYYZHQIOJFWTIX-SFHVURJKSA-N 0 3 350.503 1.972 50 0 FDAAHN COc1cc(CN2CCN(CC(C)C)[C@@H](CCO)C2)cc2c1OCO2 ZINC000023373362 518949312 /nfs/dbraw/zinc/94/93/12/518949312.db2.gz KSLRTQIWEFOTSS-INIZCTEOSA-N 0 3 350.459 1.949 50 0 FDAAHN COc1ccc(C(=O)N2CCC[C@H](Cn3cc(CN)nn3)C2)c(F)c1F ZINC000023399567 518950072 /nfs/dbraw/zinc/95/00/72/518950072.db2.gz SXIQRSVHEFHAKE-NSHDSACASA-N 0 3 365.384 1.576 50 0 FDAAHN O=C(NCCN1CCCCCC1)c1cnc2sc3c(n2c1=O)CCC3 ZINC000035430345 519606731 /nfs/dbraw/zinc/60/67/31/519606731.db2.gz QHDOCJPWZYKCQV-UHFFFAOYSA-N 0 3 360.483 1.851 50 0 FDAAHN C[C@@H]1CN(Cc2ccc(CNC(=S)NCCN(C)C)cc2)C[C@H](C)O1 ZINC000040087583 519639861 /nfs/dbraw/zinc/63/98/61/519639861.db2.gz YYOGSVHIEFPKAA-IYBDPMFKSA-N 0 3 364.559 1.822 50 0 FDAAHN CCCN1CCN(CCNC(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000020725829 519858029 /nfs/dbraw/zinc/85/80/29/519858029.db2.gz WZKASJCVBSNCJG-UHFFFAOYSA-N 0 3 350.463 1.853 50 0 FDAAHN CCOC(=O)C1C(CN2CCN(CC)CC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000020283410 520514369 /nfs/dbraw/zinc/51/43/69/520514369.db2.gz 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CCc1cc(=O)[nH]c(-c2ccc(N3CCN(CCOC)[C@H](CC)C3)nc2)n1 ZINC000174737238 524714783 /nfs/dbraw/zinc/71/47/83/524714783.db2.gz WBVHYFMBSSEOMI-QGZVFWFLSA-N 0 3 371.485 1.941 50 0 FDAAHN C[C@@H](N)C(=O)N1CCC2(CC(=O)N(Cc3ccc(F)c(F)c3)C2)CC1 ZINC000091486618 524715604 /nfs/dbraw/zinc/71/56/04/524715604.db2.gz OWMKFAYHULENOI-GFCCVEGCSA-N 0 3 351.397 1.653 50 0 FDAAHN CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)[nH]1 ZINC000091519213 524719565 /nfs/dbraw/zinc/71/95/65/524719565.db2.gz YWCUMNGQCBNMHX-UHFFFAOYSA-N 0 3 360.502 1.984 50 0 FDAAHN Cc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1 ZINC000091678520 524759599 /nfs/dbraw/zinc/75/95/99/524759599.db2.gz DSFTXXBETKEPIN-MJGOQNOKSA-N 0 3 360.502 1.693 50 0 FDAAHN Cc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1 ZINC000091678520 524759609 /nfs/dbraw/zinc/75/96/09/524759609.db2.gz DSFTXXBETKEPIN-MJGOQNOKSA-N 0 3 360.502 1.693 50 0 FDAAHN COCCN(C)CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000091829912 524793332 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COCCN(C(=O)[C@H](c1cccc(F)c1)N(C)C)C1CCN(C)CC1 ZINC000091452515 524708273 /nfs/dbraw/zinc/70/82/73/524708273.db2.gz ZLWNCXYFSJFAKB-SFHVURJKSA-N 0 3 351.466 1.998 50 0 FDAAHN Cc1nc(C2CC2)ncc1C(=O)N1CC[C@@]2(O)CCN(C(C)C)C[C@H]2C1 ZINC000091486381 524715120 /nfs/dbraw/zinc/71/51/20/524715120.db2.gz DTPWKIAEDGROLF-JXFKEZNVSA-N 0 3 358.486 1.970 50 0 FDAAHN Cc1cnc(CN2CC3(CCC2=O)CCN(C(=O)[C@@H](N)C2CC2)CC3)cn1 ZINC000091518845 524718737 /nfs/dbraw/zinc/71/87/37/524718737.db2.gz TUANVGCESJNBFQ-SFHVURJKSA-N 0 3 371.485 1.254 50 0 FDAAHN CCc1ncc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000091575443 524728705 /nfs/dbraw/zinc/72/87/05/524728705.db2.gz DCOYVUGZYQHQBQ-NRFANRHFSA-N 0 3 371.529 1.948 50 0 FDAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccncc1)CC2 ZINC000091680418 524760490 /nfs/dbraw/zinc/76/04/90/524760490.db2.gz PVPSPMYZUHYSDL-UHFFFAOYSA-N 0 3 355.442 1.327 50 0 FDAAHN COc1cccc(CN2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)c1OC ZINC000091769439 524780212 /nfs/dbraw/zinc/78/02/12/524780212.db2.gz RQHMPRJZVNDGBX-HXUWFJFHSA-N 0 3 361.486 1.832 50 0 FDAAHN Cc1ccc([C@H]2CN(C(=O)c3ccc4c(c3)ncn4CCO)C[C@@H]2N)o1 ZINC000091845462 524797819 /nfs/dbraw/zinc/79/78/19/524797819.db2.gz RHAQFPZBHMWJFW-GJZGRUSLSA-N 0 3 354.410 1.497 50 0 FDAAHN COc1ccc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c([O-])c1 ZINC000091872644 524803019 /nfs/dbraw/zinc/80/30/19/524803019.db2.gz ZPDGHPXQTFOAJW-HZPDHXFCSA-N 0 3 362.470 1.957 50 0 FDAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccnn1C)CC2 ZINC000092061997 524836355 /nfs/dbraw/zinc/83/63/55/524836355.db2.gz LAHJJVOGPFSNAE-UHFFFAOYSA-N 0 3 356.474 1.933 50 0 FDAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)n1cncn1)CC2 ZINC000092107760 524850140 /nfs/dbraw/zinc/85/01/40/524850140.db2.gz DWYGGGGTIIKIRS-OAHLLOKOSA-N 0 3 371.489 1.738 50 0 FDAAHN Cc1nccn1-c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000095353925 525029490 /nfs/dbraw/zinc/02/94/90/525029490.db2.gz BVLRBUYOFKSRDJ-KRWDZBQOSA-N 0 3 369.469 1.207 50 0 FDAAHN CC(=O)c1ccccc1C(=O)N1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 ZINC000095355508 525030223 /nfs/dbraw/zinc/03/02/23/525030223.db2.gz UBPGZSAWSXICGJ-QZTJIDSGSA-N 0 3 374.481 1.274 50 0 FDAAHN CN(CC(=O)NC(C)(C)C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)NC(C)(C)C ZINC000095995920 525114617 /nfs/dbraw/zinc/11/46/17/525114617.db2.gz JEDCOIQHQUYVFY-IYBDPMFKSA-N 0 3 368.566 1.991 50 0 FDAAHN COC(=O)[C@]1(O)C(C(=O)c2ccco2)[C@H](c2ccccc2)NC(=S)N1C ZINC000103374956 525348574 /nfs/dbraw/zinc/34/85/74/525348574.db2.gz CLJYQTGOAUQHAM-QWQRMKEZSA-N 0 3 374.418 1.501 50 0 FDAAHN COc1cccc(-c2n[nH]cc2C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000091603517 525719614 /nfs/dbraw/zinc/71/96/14/525719614.db2.gz CCAUTGSDWRBFKH-CQSZACIVSA-N 0 3 371.441 1.012 50 0 FDAAHN O=C(CN1CCCC1)N1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 ZINC000091679136 526731536 /nfs/dbraw/zinc/73/15/36/526731536.db2.gz SKUOGYQEIYRJBT-FQEVSTJZSA-N 0 3 373.501 1.279 50 0 FDAAHN O=C(CN1CCCC1)N1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1 ZINC000091679136 526731541 /nfs/dbraw/zinc/73/15/41/526731541.db2.gz SKUOGYQEIYRJBT-FQEVSTJZSA-N 0 3 373.501 1.279 50 0 FDAAHN O=C(c1nc2ccccn2c1CNCCN1CCCCC1)N1CCOCC1 ZINC000020206408 526918063 /nfs/dbraw/zinc/91/80/63/526918063.db2.gz VPMDDDLPZPHEET-UHFFFAOYSA-N 0 3 371.485 1.382 50 0 FDAAHN O=C(c1nnn(-c2ccccc2F)c1C(F)(F)F)N1CCCNCC1 ZINC000178361811 526929003 /nfs/dbraw/zinc/92/90/03/526929003.db2.gz ABCIOWOFIHPBDY-UHFFFAOYSA-N 0 3 357.311 1.861 50 0 FDAAHN CCOC(=O)C[C@@H](Sc1ncnc2c1CN(C)CC2)C(=O)OCC ZINC000280349303 528877565 /nfs/dbraw/zinc/87/75/65/528877565.db2.gz WMWUZWKFMCCFPY-CYBMUJFWSA-N 0 3 353.444 1.442 50 0 FDAAHN CN1CCN(c2cc(N3CCN(C)CC3)nc(-c3cccnc3)n2)CC1 ZINC000089382763 536419690 /nfs/dbraw/zinc/41/96/90/536419690.db2.gz CVPSHJHHRYAKTD-UHFFFAOYSA-N 0 3 353.474 1.042 50 0 FDAAHN CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3ccccc3[nH]1)C2 ZINC000218861485 537467913 /nfs/dbraw/zinc/46/79/13/537467913.db2.gz DYSAVTNAUIHLEY-GOSISDBHSA-N 0 3 354.458 1.760 50 0 FDAAHN CN(C)CCO[C@@H]1COCC[C@H]1NS(=O)(=O)/C=C/c1ccccc1 ZINC000219095254 537470524 /nfs/dbraw/zinc/47/05/24/537470524.db2.gz HEOPMDUSWHNYMI-WZFZXHKMSA-N 0 3 354.472 1.312 50 0 FDAAHN CS(=O)(=O)NC1CCN(C(=O)CN2CC[C@@H](c3ccccc3)C2)CC1 ZINC000219314926 537474980 /nfs/dbraw/zinc/47/49/80/537474980.db2.gz YMPAAMYEGMDXJY-MRXNPFEDSA-N 0 3 365.499 1.016 50 0 FDAAHN Cc1nc2cc(CNC(=O)CC[C@H](C)N3CCN(C)CC3)ccc2n1C ZINC000219977380 537484327 /nfs/dbraw/zinc/48/43/27/537484327.db2.gz WXDFAVXGFWBGJI-HNNXBMFYSA-N 0 3 357.502 1.914 50 0 FDAAHN COc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c(F)c1F ZINC000220375915 537488677 /nfs/dbraw/zinc/48/86/77/537488677.db2.gz NDNISSMLLAGAGN-OLZOCXBDSA-N 0 3 358.385 1.439 50 0 FDAAHN CCN1CCN(CCNS(=O)(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000222034305 537501727 /nfs/dbraw/zinc/50/17/27/537501727.db2.gz FXSGUEFGLCEDJB-AUWJEWJLSA-N 0 3 357.907 1.868 50 0 FDAAHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000230101835 537577882 /nfs/dbraw/zinc/57/78/82/537577882.db2.gz YBMRNPZQBDXJTJ-KBPBESRZSA-N 0 3 355.442 1.516 50 0 FDAAHN CCn1cc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)cn1 ZINC000230205248 537579421 /nfs/dbraw/zinc/57/94/21/537579421.db2.gz KDQFWGIUYCSUQG-HXUWFJFHSA-N 0 3 359.518 1.812 50 0 FDAAHN COc1ccc(-n2ncc(C(=O)N3CCCNCC3)c2C(F)(F)F)nn1 ZINC000237524358 537632254 /nfs/dbraw/zinc/63/22/54/537632254.db2.gz DIPKRMFHNXOSKF-UHFFFAOYSA-N 0 3 370.335 1.125 50 0 FDAAHN CSc1nc(C(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)cs1 ZINC000244605521 537647690 /nfs/dbraw/zinc/64/76/90/537647690.db2.gz FABGAOYQYYWISB-CQSZACIVSA-N 0 3 352.529 1.717 50 0 FDAAHN O=C(NC[C@@H]1CNCCO1)c1ccc(-c2cnc3ccc(F)cn32)cc1 ZINC000584884638 551564647 /nfs/dbraw/zinc/56/46/47/551564647.db2.gz VPJYJCHEYIPIAY-INIZCTEOSA-N 0 3 354.385 1.859 50 0 FDAAHN CN1CCOC[C@@H](CNC(=O)N2CCOc3ccc(Cl)cc3C2)C1 ZINC000584889341 551565571 /nfs/dbraw/zinc/56/55/71/551565571.db2.gz JXXKANLPZXIYDT-ZDUSSCGKSA-N 0 3 353.850 1.822 50 0 FDAAHN Nc1nc(NC2CCN(Cc3ccccc3)CC2)cc([C@@H]2CCOC2)n1 ZINC000426378263 571138606 /nfs/dbraw/zinc/13/86/06/571138606.db2.gz VPCQBZIUYZFLPJ-MRXNPFEDSA-N 0 3 353.470 2.061 50 0 FDAAHN Cc1ccc(-c2cccc(C(=O)NCCN3CCC[C@@H](C(N)=O)C3)c2)nn1 ZINC000426525789 571230117 /nfs/dbraw/zinc/23/01/17/571230117.db2.gz COLQTYASILMMHY-QGZVFWFLSA-N 0 3 367.453 1.379 50 0 FDAAHN CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000253429267 571313371 /nfs/dbraw/zinc/31/33/71/571313371.db2.gz RCSGTEZASXTMHS-LBPRGKRZSA-N 0 3 359.467 1.584 50 0 FDAAHN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000253429267 571313372 /nfs/dbraw/zinc/31/33/72/571313372.db2.gz RCSGTEZASXTMHS-LBPRGKRZSA-N 0 3 359.467 1.584 50 0 FDAAHN CN(Cc1ccccc1)S(=O)(=O)NCCCN1CCC[C@@H](CO)C1 ZINC000670454852 571353576 /nfs/dbraw/zinc/35/35/76/571353576.db2.gz LWJDRPXULGXOAK-QGZVFWFLSA-N 0 3 355.504 1.047 50 0 FDAAHN Cn1cnnc1SCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012469537 670613902 /nfs/dbraw/zinc/61/39/02/670613902.db2.gz INZDLYMWAOJWLI-INIZCTEOSA-N 0 3 359.499 1.731 50 0 FDAAHN CCN1CCN(CCNS(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000097139908 671525981 /nfs/dbraw/zinc/52/59/81/671525981.db2.gz FXSGUEFGLCEDJB-VGOFMYFVSA-N 0 3 357.907 1.868 50 0 FDAAHN CC(=O)N1CCc2nnc([C@H]3CCN(Cc4ccc(C)cn4)C3)n2CC1 ZINC000257194158 794043735 /nfs/dbraw/zinc/04/37/35/794043735.db2.gz SRONAISLNCNQTF-INIZCTEOSA-N 0 3 354.458 1.376 50 0 FDAAHN CS(=O)(=O)N1C[C@H]2CN(Cc3ccc4[nH]ccc4c3)CC[C@@]2(CO)C1 ZINC000675021404 795241115 /nfs/dbraw/zinc/24/11/15/795241115.db2.gz OGEYGXMHALOYLG-AEFFLSMTSA-N 0 3 363.483 1.244 50 0 FDAAHN CCn1cc(CN2CCC3(CN(c4ccncn4)C[C@H]3CO)CC2)c(C)n1 ZINC000169789710 864521013 /nfs/dbraw/zinc/52/10/13/864521013.db2.gz DXNYKFSYYCKAFT-SFHVURJKSA-N 0 3 370.501 1.712 50 0 FDAAHN OC[C@@H]1CN(c2ncccn2)CC12CCN(Cc1ccncc1F)CC2 ZINC000169782257 864524301 /nfs/dbraw/zinc/52/43/01/864524301.db2.gz PDNYBLHNVOJSEE-INIZCTEOSA-N 0 3 357.433 1.722 50 0 FDAAHN O=C(Cc1ccccc1)NCc1nnc2n1CCN([C@@H]1CCSC1)CC2 ZINC000064167382 901870702 /nfs/dbraw/zinc/87/07/02/901870702.db2.gz SVJWXKXWFWTTSC-MRXNPFEDSA-N 0 3 371.510 1.501 50 0 FDAAHN CCSC[C@H](C)N1CCOC2(CCN(C(=O)CCNC(C)=O)CC2)C1 ZINC000823421473 921849296 /nfs/dbraw/zinc/84/92/96/921849296.db2.gz QLMBJEREBNJEHM-HNNXBMFYSA-N 0 3 371.547 1.348 50 0 FDAAHN COc1ccc(-n2cnnc2)cc1NC(=O)CC[C@H](C)N1CCN(C)CC1 ZINC000952979016 960278519 /nfs/dbraw/zinc/27/85/19/960278519.db2.gz LXSJYGAWPBIVKG-HNNXBMFYSA-N 0 3 372.473 1.631 50 0 FDAAHN CC(C)n1cnnc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000092066010 1007046514 /nfs/dbraw/zinc/04/65/14/1007046514.db2.gz VQXZARXGGPDJSX-FQEVSTJZSA-N 0 3 374.533 1.768 50 0 FDAAHN CN1CCCN(c2ncccc2CNC(=O)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000216270127 222662558 /nfs/dbraw/zinc/66/25/58/222662558.db2.gz GHNPMNPXOHMLSN-SFHVURJKSA-N 0 3 372.444 1.712 50 0 FDAAHN CNS(=O)(=O)c1ccc(CN2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1 ZINC000299770468 530029642 /nfs/dbraw/zinc/02/96/42/530029642.db2.gz UHADQLHXBFZCPO-HYVNUMGLSA-N 0 3 354.472 1.099 50 0 FDAAHN C[C@H](CCNC(=O)N(C)Cc1ccc2nonc2c1)N1CCN(C)CC1 ZINC000534647905 540393902 /nfs/dbraw/zinc/39/39/02/540393902.db2.gz YPOVKNYYRNBRGV-CQSZACIVSA-N 0 3 360.462 1.390 50 0 FDAAHN O=C1NCC2(CCN(C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)O1 ZINC000299759113 223083463 /nfs/dbraw/zinc/08/34/63/223083463.db2.gz OCLOKAKCJIGNLI-SFHVURJKSA-N 0 3 359.470 1.852 50 0 FDAAHN COc1cccc(-n2cc([C@@H](C)NC(=O)CN3CCCN(C)CC3)cn2)c1 ZINC000299764050 223086708 /nfs/dbraw/zinc/08/67/08/223086708.db2.gz QZBJZFLXTOPASW-MRXNPFEDSA-N 0 3 371.485 1.696 50 0 FDAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000013693053 220087067 /nfs/dbraw/zinc/08/70/67/220087067.db2.gz HCWMDKZNQGRFIV-CQSZACIVSA-N 0 3 370.453 1.322 50 0 FDAAHN CN(CCO)[C@@H]1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1 ZINC000014751616 220131644 /nfs/dbraw/zinc/13/16/44/220131644.db2.gz QMDZBXTZXUHTKQ-OAHLLOKOSA-N 0 3 360.433 1.271 50 0 FDAAHN COCCN1CC[C@@H](CNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)C1 ZINC000299765049 532973781 /nfs/dbraw/zinc/97/37/81/532973781.db2.gz TTZJRTKJYMWZGT-VIFPVBQESA-N 0 3 368.787 1.790 50 0 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