smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(C(=O)Nc2nc(-c3ccccc3)n[nH]2)sc1C ZINC000025155839 1013389586 /nfs/dbraw/zinc/38/95/86/1013389586.db2.gz LDTQOFQIZNYDHL-UHFFFAOYSA-N 0 1 312.398 3.656 50 0 DHAAMN Cc1cccc2nc(CCC(=O)NCC3(C4CC4)CCC3)[nH]c21 ZINC000120729794 1016643471 /nfs/dbraw/zinc/64/34/71/1016643471.db2.gz OAHHJLRFYIXWDZ-UHFFFAOYSA-N 0 1 311.429 3.500 50 0 DHAAMN Cc1[nH]ncc1CN(C)C(=O)c1ccccc1-c1ccccc1 ZINC000952966771 1032679968 /nfs/dbraw/zinc/67/99/68/1032679968.db2.gz JXMJJMFNOFCVTF-UHFFFAOYSA-N 0 1 305.381 3.657 50 0 DHAAMN CCc1nc(C)c(CN[C@@H]2CC(C)(C)Oc3cc(C)ccc32)[nH]1 ZINC000952983349 1032681766 /nfs/dbraw/zinc/68/17/66/1032681766.db2.gz PCUVSJKNZNXQDY-OAHLLOKOSA-N 0 1 313.445 3.981 50 0 DHAAMN Cc1nc([C@@H]2CC(=O)N(CC(C)C)C2)[nH]c1-c1ccc(C)cc1 ZINC000023153625 1018000515 /nfs/dbraw/zinc/00/05/15/1018000515.db2.gz FDPUNOUGWMYGQB-MRXNPFEDSA-N 0 1 311.429 3.665 50 0 DHAAMN Cc1ncsc1CNCc1cc(Cl)cc2cccnc21 ZINC000089565553 1032759749 /nfs/dbraw/zinc/75/97/49/1032759749.db2.gz JKABOSUZTWQRMW-UHFFFAOYSA-N 0 1 303.818 3.943 50 0 DHAAMN O=C(c1cccc(Cl)c1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000011665203 1019012528 /nfs/dbraw/zinc/01/25/28/1019012528.db2.gz NJNNFUOOIKBBAI-INIZCTEOSA-N 0 1 314.816 3.830 50 0 DHAAMN CCc1cc(C[N@@H+](C)Cc2c(C)cc(C)cc2-n2cccn2)on1 ZINC000823565498 1020433919 /nfs/dbraw/zinc/43/39/19/1020433919.db2.gz GQDNLLZTFBIHOU-UHFFFAOYSA-N 0 1 324.428 3.672 50 0 DHAAMN CCc1cc(CN(C)Cc2c(C)cc(C)cc2-n2cccn2)on1 ZINC000823565498 1020433927 /nfs/dbraw/zinc/43/39/27/1020433927.db2.gz GQDNLLZTFBIHOU-UHFFFAOYSA-N 0 1 324.428 3.672 50 0 DHAAMN Cc1cnc(C2CC2)n1[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000575546690 1020975179 /nfs/dbraw/zinc/97/51/79/1020975179.db2.gz STDSKZWLCJIHHR-QGZVFWFLSA-N 0 1 315.461 3.813 50 0 DHAAMN C/C=C\c1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000033457154 1021428921 /nfs/dbraw/zinc/42/89/21/1021428921.db2.gz UXWDHYCZFMMUQB-BNOHMRNQSA-N 0 1 319.445 3.606 50 0 DHAAMN Cc1cnc(C)n1C[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581808150 1021850248 /nfs/dbraw/zinc/85/02/48/1021850248.db2.gz QLGICOPKTQIVEQ-SFHVURJKSA-N 0 1 317.477 3.709 50 0 DHAAMN c1sc(-c2ncccn2)nc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC000106826237 1023384050 /nfs/dbraw/zinc/38/40/50/1023384050.db2.gz DLGBWFZDZJBWHP-KGLIPLIRSA-N 0 1 314.458 3.612 50 0 DHAAMN C[N@@H+](Cc1cnc(C2CCCCC2)nc1)CC1(CO)CCCC1 ZINC000216090016 1024529806 /nfs/dbraw/zinc/52/98/06/1024529806.db2.gz XWFLVPYPIVOAMD-UHFFFAOYSA-N 0 1 317.477 3.509 50 0 DHAAMN CN(Cc1cnc(C2CCCCC2)nc1)CC1(CO)CCCC1 ZINC000216090016 1024529814 /nfs/dbraw/zinc/52/98/14/1024529814.db2.gz XWFLVPYPIVOAMD-UHFFFAOYSA-N 0 1 317.477 3.509 50 0 DHAAMN CCCn1ncc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)c1C ZINC000216095077 1024530714 /nfs/dbraw/zinc/53/07/14/1024530714.db2.gz IIIDPCPVUIVEIO-IBGZPJMESA-N 0 1 313.445 3.947 50 0 DHAAMN CCCn1ncc(CN2CCC[C@H]2c2cccc(OC)c2)c1C ZINC000216095077 1024530723 /nfs/dbraw/zinc/53/07/23/1024530723.db2.gz IIIDPCPVUIVEIO-IBGZPJMESA-N 0 1 313.445 3.947 50 0 DHAAMN Cc1ccc(C(=O)NCCc2cnc(-c3ccc(C)cc3)[nH]2)cc1 ZINC000013608595 1024837074 /nfs/dbraw/zinc/83/70/74/1024837074.db2.gz IRSOCWJDXYFULV-UHFFFAOYSA-N 0 1 319.408 3.666 50 0 DHAAMN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc3c[nH]nc32)cc1 ZINC000129946466 1028226165 /nfs/dbraw/zinc/22/61/65/1028226165.db2.gz BNWOMEKFRKBBAI-CQSZACIVSA-N 0 1 307.397 3.575 50 0 DHAAMN Cc1cc2[nH]c(CN3CCCN(CC(F)F)CC3)cc2c(C)c1 ZINC000585084633 1029669156 /nfs/dbraw/zinc/66/91/56/1029669156.db2.gz WENZRDUAHVKYFV-UHFFFAOYSA-N 0 1 321.415 3.558 50 0 DHAAMN Cc1cccc(CN(C)[C@H](c2nnc[nH]2)c2ccccc2)c1C ZINC000585117392 1029787215 /nfs/dbraw/zinc/78/72/15/1029787215.db2.gz ZZMMIMMOMVDICA-SFHVURJKSA-N 0 1 306.413 3.643 50 0 DHAAMN CCC(=O)Nc1ccc([C@H](C)NCc2cnc(CC)s2)cc1 ZINC000095409407 185356949 /nfs/dbraw/zinc/35/69/49/185356949.db2.gz FPTPVHLPJFLZNO-LBPRGKRZSA-N 0 1 317.458 3.905 50 0 DHAAMN Cc1nc([C@@H](N[C@H]2CCc3ccc(C)cc32)c2ccccc2)n[nH]1 ZINC000095421731 185360642 /nfs/dbraw/zinc/36/06/42/185360642.db2.gz AMSPZROQRILBRP-OALUTQOASA-N 0 1 318.424 3.788 50 0 DHAAMN CCOCc1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 ZINC000097159358 185416994 /nfs/dbraw/zinc/41/69/94/185416994.db2.gz XTRNKKFUABMMLK-UHFFFAOYSA-N 0 1 301.434 3.534 50 0 DHAAMN COC(=O)c1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000057620272 190687088 /nfs/dbraw/zinc/68/70/88/190687088.db2.gz RYLDNNUSVSLWQA-INIZCTEOSA-N 0 1 319.788 3.961 50 0 DHAAMN CCc1nc(C)c(-c2nccn2CCCc2scnc2C)[nH]1 ZINC000071753706 191023802 /nfs/dbraw/zinc/02/38/02/191023802.db2.gz JOIWUBQZBWJXGV-UHFFFAOYSA-N 0 1 315.446 3.542 50 0 DHAAMN c1ccc([C@@H]2CCCCN2Cc2ccc3c(c2)OCCO3)nc1 ZINC000072133859 191046567 /nfs/dbraw/zinc/04/65/67/191046567.db2.gz IUUYFEQOCHRDMG-KRWDZBQOSA-N 0 1 310.397 3.580 50 0 DHAAMN CCn1cc(CN2CCC[C@@H](COc3cccc(C)c3)C2)cn1 ZINC000072148493 191054186 /nfs/dbraw/zinc/05/41/86/191054186.db2.gz RXVPQOSPRULWNT-QGZVFWFLSA-N 0 1 313.445 3.502 50 0 DHAAMN Cc1cccc(C)c1C[N@H+]1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072151024 191056585 /nfs/dbraw/zinc/05/65/85/191056585.db2.gz GJWAZGJXXMVLAN-MRXNPFEDSA-N 0 1 309.409 3.991 50 0 DHAAMN Cc1nc(CN2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)co1 ZINC000072162025 191062485 /nfs/dbraw/zinc/06/24/85/191062485.db2.gz DICNUVXHLJEBNY-CQSZACIVSA-N 0 1 310.401 3.547 50 0 DHAAMN Cc1ccc2[nH]cc(C(=O)N(C)Cc3ccccc3)c(=O)c2c1 ZINC000225578615 186280155 /nfs/dbraw/zinc/28/01/55/186280155.db2.gz KYVFXRNPBMFXIA-UHFFFAOYSA-N 0 1 306.365 3.521 50 0 DHAAMN Cc1ncc(CN[C@H]2CCOc3ccccc32)n1-c1ccccc1 ZINC000072307110 191117974 /nfs/dbraw/zinc/11/79/74/191117974.db2.gz DWEUJRKHYLBJIH-IBGZPJMESA-N 0 1 319.408 3.794 50 0 DHAAMN CCc1ccc(CNC(=O)c2cn[nH]c2-c2cccs2)cc1 ZINC000072329443 191123836 /nfs/dbraw/zinc/12/38/36/191123836.db2.gz IZTLSMAGTYHORR-UHFFFAOYSA-N 0 1 311.410 3.631 50 0 DHAAMN COc1ccc(Cl)cc1NC(=O)CN1CCCCCCC1 ZINC000003538897 181032256 /nfs/dbraw/zinc/03/22/56/181032256.db2.gz DRSLFYGKEYUNKG-UHFFFAOYSA-N 0 1 310.825 3.553 50 0 DHAAMN Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000003550412 181033375 /nfs/dbraw/zinc/03/33/75/181033375.db2.gz SHPBQKSSZVHPPB-UHFFFAOYSA-N 0 1 324.409 3.511 50 0 DHAAMN O[C@]12CCCC[C@H]1[C@@H](c1c(Cl)cccc1Cl)NCC2 ZINC000004031361 181065101 /nfs/dbraw/zinc/06/51/01/181065101.db2.gz ADCRKOWUVHTZCP-LKTVYLICSA-N 0 1 300.229 3.949 50 0 DHAAMN Cc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c1 ZINC000004678418 181135418 /nfs/dbraw/zinc/13/54/18/181135418.db2.gz RQMXXXUVQJLPQE-UHFFFAOYSA-N 0 1 321.380 3.736 50 0 DHAAMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000004809527 181154387 /nfs/dbraw/zinc/15/43/87/181154387.db2.gz NAWPLTDIZJEXQK-UHFFFAOYSA-N 0 1 311.790 3.540 50 0 DHAAMN CCCCC1CCC(C(=O)NN2Cc3ccccc3C2=N)CC1 ZINC000005304471 181228342 /nfs/dbraw/zinc/22/83/42/181228342.db2.gz CKSIPSDZTSTDBN-UHFFFAOYSA-N 0 1 313.445 3.855 50 0 DHAAMN CCOC(=O)C=C(C)Nc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000005686374 181272346 /nfs/dbraw/zinc/27/23/46/181272346.db2.gz CHQLBFLTALUXLD-CSKARUKUSA-N 0 1 305.765 3.609 50 0 DHAAMN CC(C)(C)c1n[nH]cc1CNCc1cccc(OC(F)F)c1 ZINC000089694598 192844521 /nfs/dbraw/zinc/84/45/21/192844521.db2.gz DXWDNGPBSKZYKJ-UHFFFAOYSA-N 0 1 309.360 3.598 50 0 DHAAMN COC(=O)c1cccc(CSc2nc3ccc(C)cc3[nH]2)c1 ZINC000006292292 181326963 /nfs/dbraw/zinc/32/69/63/181326963.db2.gz GCRBFBRDGSRURT-UHFFFAOYSA-N 0 1 312.394 3.950 50 0 DHAAMN CCc1ccc(-c2n[nH]c(SCc3c(C)noc3C)n2)cc1 ZINC000006604764 181359938 /nfs/dbraw/zinc/35/99/38/181359938.db2.gz XKJAUYQTEWNDFT-UHFFFAOYSA-N 0 1 314.414 3.931 50 0 DHAAMN CSc1ccc(CN(C)C(=O)c2[nH]nc3ccccc32)cc1 ZINC000006657845 181366618 /nfs/dbraw/zinc/36/66/18/181366618.db2.gz FHMUTLCUKMVUIG-UHFFFAOYSA-N 0 1 311.410 3.557 50 0 DHAAMN CN(C(=O)CN1CCC[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000091474896 193061248 /nfs/dbraw/zinc/06/12/48/193061248.db2.gz ZLFGWDIVPSGOOL-NRFANRHFSA-N 0 1 322.452 3.703 50 0 DHAAMN Cc1cc(F)ccc1CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000093712568 193297183 /nfs/dbraw/zinc/29/71/83/193297183.db2.gz QEGKOSRYVOUKCH-NRFANRHFSA-N 0 1 305.418 3.504 50 0 DHAAMN Fc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000016047104 182031137 /nfs/dbraw/zinc/03/11/37/182031137.db2.gz FWDWJYVLLCCLDI-GUYCJALGSA-N 0 1 305.393 3.847 50 0 DHAAMN Fc1cc(CN2CCC[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000016047105 182031169 /nfs/dbraw/zinc/03/11/69/182031169.db2.gz FWDWJYVLLCCLDI-DYVFJYSZSA-N 0 1 305.393 3.847 50 0 DHAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1Cc1cccc(Cl)c1 ZINC000017879208 182086923 /nfs/dbraw/zinc/08/69/23/182086923.db2.gz WQFDAFOEEOWAFA-UHFFFAOYSA-N 0 1 316.763 3.857 50 0 DHAAMN Cc1ccc(C(C)(C)C)c(OCCCCN2CCOCC2)c1 ZINC000020118031 182188165 /nfs/dbraw/zinc/18/81/65/182188165.db2.gz YEZAYCRNIHBAPE-UHFFFAOYSA-N 0 1 305.462 3.784 50 0 DHAAMN O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccn2)n[nH]1 ZINC000021090456 182264531 /nfs/dbraw/zinc/26/45/31/182264531.db2.gz BHKBWUHHIYWPLH-UHFFFAOYSA-N 0 1 316.723 3.517 50 0 DHAAMN Cc1n[nH]c(C)c1CN(C)Cc1cc(C)nc2cc(F)ccc12 ZINC000020998309 182257990 /nfs/dbraw/zinc/25/79/90/182257990.db2.gz AVJKBSOOCNNVOF-UHFFFAOYSA-N 0 1 312.392 3.654 50 0 DHAAMN c1ccc2c(c1)c1ccccc1n2CCCCN1CCOCC1 ZINC000023115171 182348366 /nfs/dbraw/zinc/34/83/66/182348366.db2.gz BJYKBXZJXQCXRU-UHFFFAOYSA-N 0 1 308.425 3.907 50 0 DHAAMN O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1ccccc1 ZINC000027580704 182480952 /nfs/dbraw/zinc/48/09/52/182480952.db2.gz OTTZSKGLDYXAOQ-INIZCTEOSA-N 0 1 314.454 3.705 50 0 DHAAMN CCCN(CC(=O)N(C)Cc1ccsc1)Cc1ccccc1 ZINC000039985882 183026924 /nfs/dbraw/zinc/02/69/24/183026924.db2.gz WHRFKOMMXLAQAQ-UHFFFAOYSA-N 0 1 316.470 3.619 50 0 DHAAMN O=C(CCC1CCCCC1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000040160850 183041110 /nfs/dbraw/zinc/04/11/10/183041110.db2.gz XALISLPCKDERLD-KRWDZBQOSA-N 0 1 318.461 3.893 50 0 DHAAMN O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Br)cc1 ZINC000040282898 183050584 /nfs/dbraw/zinc/05/05/84/183050584.db2.gz LSOJJRDMMHFUDP-UHFFFAOYSA-N 0 1 316.158 3.578 50 0 DHAAMN Cc1ccc(-c2n[nH]cc2CN[C@H]2CCOc3ccccc32)o1 ZINC000042952328 183320517 /nfs/dbraw/zinc/32/05/17/183320517.db2.gz YSASKFYNBMHVIS-HNNXBMFYSA-N 0 1 309.369 3.592 50 0 DHAAMN Oc1cccc([C@H](O)CNCc2c(Cl)cccc2Cl)c1 ZINC000057354887 184035424 /nfs/dbraw/zinc/03/54/24/184035424.db2.gz FSRDJXXZGAOXAK-OAHLLOKOSA-N 0 1 312.196 3.522 50 0 DHAAMN COc1ccc2ccccc2c1CNCc1ccccc1CO ZINC000058163583 184083235 /nfs/dbraw/zinc/08/32/35/184083235.db2.gz ITTPOYMGMCARKP-UHFFFAOYSA-N 0 1 307.393 3.631 50 0 DHAAMN COc1ccc(-c2csc3c2[nH]c(SC)nc3=O)cc1 ZINC000062591979 184244365 /nfs/dbraw/zinc/24/43/65/184244365.db2.gz UAWQZSBVNHFFBS-UHFFFAOYSA-N 0 1 304.396 3.794 50 0 DHAAMN CN(CCc1ccccn1)Cc1csc(Br)c1 ZINC000064994252 184307661 /nfs/dbraw/zinc/30/76/61/184307661.db2.gz ROFIALYRZCCSKR-UHFFFAOYSA-N 0 1 311.248 3.580 50 0 DHAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)CC(C)C ZINC000034796301 257269863 /nfs/dbraw/zinc/26/98/63/257269863.db2.gz AAJKNDOKIVIXGX-UHFFFAOYSA-N 0 1 313.401 3.947 50 0 DHAAMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1cnc2n1CCCC2 ZINC000375270726 337006990 /nfs/dbraw/zinc/00/69/90/337006990.db2.gz WTRGNMQPPAGTMV-KRWDZBQOSA-N 0 1 311.429 3.531 50 0 DHAAMN c1ccc2c(CNCc3ccc4c(n3)CCCC4)ccnc2c1 ZINC000571846695 337579625 /nfs/dbraw/zinc/57/96/25/337579625.db2.gz MLVLUXWHNXMSLO-UHFFFAOYSA-N 0 1 303.409 3.798 50 0 DHAAMN C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007486594 563906751 /nfs/dbraw/zinc/90/67/51/563906751.db2.gz BDROAGWGPAMHAE-LLVKDONJSA-N 0 1 300.324 3.518 50 0 DHAAMN C[C@@H]1CCCCN1CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007486594 563906753 /nfs/dbraw/zinc/90/67/53/563906753.db2.gz BDROAGWGPAMHAE-LLVKDONJSA-N 0 1 300.324 3.518 50 0 DHAAMN C[C@H](NCc1ccccc1OCCO)c1ccc(Cl)cc1 ZINC000095423118 563931394 /nfs/dbraw/zinc/93/13/94/563931394.db2.gz ACXANRNFUZOSLQ-ZDUSSCGKSA-N 0 1 305.805 3.562 50 0 DHAAMN CC(C)c1n[nH]c(S[C@H](C)c2nc(-c3cccs3)no2)n1 ZINC000026036268 563424408 /nfs/dbraw/zinc/42/44/08/563424408.db2.gz BQCIPUAXNMXOIJ-MRVPVSSYSA-N 0 1 321.431 3.893 50 0 DHAAMN CC(C)c1nc(S[C@H](C)c2nc(-c3cccs3)no2)n[nH]1 ZINC000026036268 563424411 /nfs/dbraw/zinc/42/44/11/563424411.db2.gz 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CCc1ccc(-c2n[nH]c(SCc3nc(C)c(C)o3)n2)cc1 ZINC000063416171 184281450 /nfs/dbraw/zinc/28/14/50/184281450.db2.gz MBNBTTXORIGZLX-UHFFFAOYSA-N 0 1 314.414 3.931 50 0 DHAAMN O=C(Nc1ccccc1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000065164482 184313019 /nfs/dbraw/zinc/31/30/19/184313019.db2.gz CXKOUMJWWWCVCM-SFHVURJKSA-N 0 1 318.380 3.589 50 0 DHAAMN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000065237215 184316996 /nfs/dbraw/zinc/31/69/96/184316996.db2.gz VZWBCJJVUDLYCA-INIZCTEOSA-N 0 1 322.424 3.705 50 0 DHAAMN Cc1cc(CN2CCC[C@@]3(C=Cc4ccccc4O3)CC2)[nH]n1 ZINC000065383340 184332704 /nfs/dbraw/zinc/33/27/04/184332704.db2.gz GVEMHNYSNQLCIL-LJQANCHMSA-N 0 1 309.413 3.549 50 0 DHAAMN COc1ccc(-c2cc(CN[C@@H](C)CC(F)(F)F)on2)cc1 ZINC000065404850 184337982 /nfs/dbraw/zinc/33/79/82/184337982.db2.gz KKTMRNBGRRREAI-JTQLQIEISA-N 0 1 314.307 3.781 50 0 DHAAMN Cc1ccc(CN2CCSCC2)cc1NC(=O)C1CCCC1 ZINC000065576156 184368149 /nfs/dbraw/zinc/36/81/49/184368149.db2.gz SURPJKKTTAJZRQ-UHFFFAOYSA-N 0 1 318.486 3.673 50 0 DHAAMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000120657413 195209531 /nfs/dbraw/zinc/20/95/31/195209531.db2.gz MEIZDGJBJJKLTF-RYUDHWBXSA-N 0 1 304.413 3.892 50 0 DHAAMN Cc1[nH]nc(C2CC2)c1-c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000426440198 257250446 /nfs/dbraw/zinc/25/04/46/257250446.db2.gz AIPHDWSXORCCMJ-AWEZNQCLSA-N 0 1 311.429 3.656 50 0 DHAAMN Cc1n[nH]c(C2CC2)c1-c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000426440198 257250449 /nfs/dbraw/zinc/25/04/49/257250449.db2.gz AIPHDWSXORCCMJ-AWEZNQCLSA-N 0 1 311.429 3.656 50 0 DHAAMN O=C(Nc1cccc(Cl)c1O)c1cccc([C@H]2CCOC2)c1 ZINC000408513719 257256219 /nfs/dbraw/zinc/25/62/19/257256219.db2.gz UZTNXWCAQSJIIL-ZDUSSCGKSA-N 0 1 317.772 3.802 50 0 DHAAMN COc1ccccc1-c1[nH]nc(C2CC2)c1NC(=O)C1CCC1 ZINC000034796298 257269837 /nfs/dbraw/zinc/26/98/37/257269837.db2.gz MIKSMMHPKFGEAV-UHFFFAOYSA-N 0 1 311.385 3.701 50 0 DHAAMN Cc1ccc2nc(SCc3nc(-c4ccncc4)no3)[nH]c2c1 ZINC000069660562 184834123 /nfs/dbraw/zinc/83/41/23/184834123.db2.gz 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/nfs/dbraw/zinc/28/35/85/563283585.db2.gz NLOQHONDBQURJZ-UHFFFAOYSA-N 0 1 300.362 3.681 50 0 DHAAMN COc1cccc(C(=O)c2ccccc2CN2CCCCC2)c1 ZINC000002515492 563306169 /nfs/dbraw/zinc/30/61/69/563306169.db2.gz UXFRVCZRFLDKJW-UHFFFAOYSA-N 0 1 309.409 3.912 50 0 DHAAMN O=C([O-])[C@H](c1ccccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000002528485 563307617 /nfs/dbraw/zinc/30/76/17/563307617.db2.gz DCASRSISIKYPDD-AWEZNQCLSA-N 0 1 307.802 3.586 50 0 in-vitro DHAAMN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000007402375 563338641 /nfs/dbraw/zinc/33/86/41/563338641.db2.gz HAWAFKSHVPIKKT-UHFFFAOYSA-N 0 1 317.744 3.727 50 0 DHAAMN CC(=O)c1cnc(Nc2nc(C)c3cc(C)cc(C)c3n2)nc1C ZINC000010157433 563355464 /nfs/dbraw/zinc/35/54/64/563355464.db2.gz KTYCKBHTOHVFIC-UHFFFAOYSA-N 0 1 321.384 3.600 50 0 DHAAMN COC[C@@H]1CCCCN1Cc1nc(-c2cccc(F)c2)oc1C ZINC000011663148 563358881 /nfs/dbraw/zinc/35/88/81/563358881.db2.gz OWPNYLKGOBBNQU-INIZCTEOSA-N 0 1 318.392 3.790 50 0 DHAAMN COc1ccc2c(-c3ccccc3)cc3n[nH]c(=S)n3c2c1 ZINC000012505985 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303.431 3.854 50 0 DHAAMN CCc1ccc(C(=O)[C@@H](C)Sc2n[nH]c(C(C)C)n2)cc1 ZINC000014162239 181931289 /nfs/dbraw/zinc/93/12/89/181931289.db2.gz XUENLTPORFDNHV-LLVKDONJSA-N 0 1 303.431 3.854 50 0 DHAAMN COc1ccc([C@H]2CCCN2Cc2ccc(OC)c(O)c2)cc1 ZINC000015836942 182020222 /nfs/dbraw/zinc/02/02/22/182020222.db2.gz ZWARLLURPHMZTF-QGZVFWFLSA-N 0 1 313.397 3.747 50 0 DHAAMN Cc1cccc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)c1 ZINC000015952780 182026651 /nfs/dbraw/zinc/02/66/51/182026651.db2.gz SUNGPJHQMFSMNH-UHFFFAOYSA-N 0 1 321.380 3.960 50 0 DHAAMN Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2F)c(C)c1 ZINC000016353714 182042080 /nfs/dbraw/zinc/04/20/80/182042080.db2.gz SJGAQAQUOFQQAO-OAHLLOKOSA-N 0 1 314.404 3.902 50 0 DHAAMN CC1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000017053995 182072296 /nfs/dbraw/zinc/07/22/96/182072296.db2.gz OMYUVOCSWOFXBC-UHFFFAOYSA-N 0 1 316.426 3.771 50 0 DHAAMN Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)[nH]1 ZINC000018218134 182099783 /nfs/dbraw/zinc/09/97/83/182099783.db2.gz HICAGMHWSGRUMJ-UHFFFAOYSA-N 0 1 324.409 3.570 50 0 DHAAMN Cc1n[nH]c(SCC(=O)N(c2ccccc2)c2ccccc2)n1 ZINC000018218134 182099785 /nfs/dbraw/zinc/09/97/85/182099785.db2.gz HICAGMHWSGRUMJ-UHFFFAOYSA-N 0 1 324.409 3.570 50 0 DHAAMN Clc1ccc2nc([C@@H]3CCCN3C[C@@H]3CCCO3)[nH]c2c1 ZINC000020205885 182197873 /nfs/dbraw/zinc/19/78/73/182197873.db2.gz QRDGSLHOFPEJTO-WFASDCNBSA-N 0 1 305.809 3.532 50 0 DHAAMN CCOc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)NCC2 ZINC000020506894 182225542 /nfs/dbraw/zinc/22/55/42/182225542.db2.gz UDCZEDUWHLWAPI-GOSISDBHSA-N 0 1 319.351 3.607 50 0 biogenic DHAAMN O=C(Nc1nc2ccccc2s1)c1cc(Cl)ccc1O ZINC000021015290 182261045 /nfs/dbraw/zinc/26/10/45/182261045.db2.gz QFYZPOQSYLNAJT-UHFFFAOYSA-N 0 1 304.758 3.908 50 0 DHAAMN CCCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000021918361 182298430 /nfs/dbraw/zinc/29/84/30/182298430.db2.gz KBOWDIBQQFDXMY-UHFFFAOYSA-N 0 1 312.413 3.546 50 0 DHAAMN Fc1ccccc1-c1n[nH]c(SCc2ccc(Cl)nc2)n1 ZINC000022203351 182313346 /nfs/dbraw/zinc/31/33/46/182313346.db2.gz QIMVOHKRXBUEMA-UHFFFAOYSA-N 0 1 320.780 3.952 50 0 DHAAMN C[C@@H](N[C@H](C)c1cccc(Cl)c1)C(=O)NCc1cccs1 ZINC000024985722 182397697 /nfs/dbraw/zinc/39/76/97/182397697.db2.gz OYZDIASZDFTYCR-VXGBXAGGSA-N 0 1 322.861 3.757 50 0 DHAAMN CN(C)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000025329756 182409666 /nfs/dbraw/zinc/40/96/66/182409666.db2.gz YQYISKFWOAWNPE-CQSZACIVSA-N 0 1 314.410 3.527 50 0 DHAAMN C[C@@H](NC(=O)CN1C[C@H](C)C[C@@H](C)C1)c1cc2ccccc2o1 ZINC000105765296 194124805 /nfs/dbraw/zinc/12/48/05/194124805.db2.gz GOERPSNRBVKGSI-RBSFLKMASA-N 0 1 314.429 3.588 50 0 DHAAMN Cc1ccc(C)c(NC(=O)CNCc2ccc(Cl)cc2)c1 ZINC000058171223 184084563 /nfs/dbraw/zinc/08/45/63/184084563.db2.gz UKVOCCWSSMMAOV-UHFFFAOYSA-N 0 1 302.805 3.685 50 0 DHAAMN Cc1oc(-c2ccccc2)nc1CN1CCC(c2cc[nH]n2)CC1 ZINC000058218590 184089860 /nfs/dbraw/zinc/08/98/60/184089860.db2.gz YDAPBHRJLCKNNR-UHFFFAOYSA-N 0 1 322.412 3.753 50 0 DHAAMN Cc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)cc1C ZINC000058430370 184116957 /nfs/dbraw/zinc/11/69/57/184116957.db2.gz ZEFAZJQJCXHAKN-GOSISDBHSA-N 0 1 320.396 3.552 50 0 DHAAMN Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1ccsc1 ZINC000064053584 184292177 /nfs/dbraw/zinc/29/21/77/184292177.db2.gz RSFHCLPDFWOTOY-GFCCVEGCSA-N 0 1 310.426 3.759 50 0 DHAAMN C[C@@H](Cc1ccccn1)N(C)Cc1cc2c(cc1Cl)OCO2 ZINC000065383890 184332582 /nfs/dbraw/zinc/33/25/82/184332582.db2.gz ODKHFUMAXAQNDM-LBPRGKRZSA-N 0 1 318.804 3.527 50 0 DHAAMN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000274536297 130243752 /nfs/dbraw/zinc/24/37/52/130243752.db2.gz RRBHVRJMFNDUTQ-GHMZBOCLSA-N 0 1 315.364 3.580 50 0 DHAAMN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000274536305 130244363 /nfs/dbraw/zinc/24/43/63/130244363.db2.gz RRBHVRJMFNDUTQ-WDEREUQCSA-N 0 1 315.364 3.580 50 0 DHAAMN Cc1ccc(-c2csc([C@H]3CN4CCC[C@@H]4CO3)n2)s1 ZINC000102662500 525786068 /nfs/dbraw/zinc/78/60/68/525786068.db2.gz WAFQKRCVMDREHJ-DGCLKSJQSA-N 0 1 306.456 3.716 50 0 DHAAMN Cc1noc(C2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000053618262 563863967 /nfs/dbraw/zinc/86/39/67/563863967.db2.gz GIXNMWGCYVLLAO-NSHDSACASA-N 0 1 305.809 3.972 50 0 DHAAMN CC(C)[C@H](NC(=O)CN1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000029596996 563435150 /nfs/dbraw/zinc/43/51/50/563435150.db2.gz GHQSAUPEWUARBG-VBQJREDUSA-N 0 1 308.491 3.539 50 0 DHAAMN Cc1cc(C)c2c(CN3CCc4ccccc4C3)cc(=O)oc2c1 ZINC000012445423 560212013 /nfs/dbraw/zinc/21/20/13/560212013.db2.gz IUEMWJYKAIDIHO-UHFFFAOYSA-N 0 1 319.404 3.968 50 0 biogenic,in-vitro DHAAMN CC(C)(C)c1cc(CN2CCC(O)CC2)cc(C(C)(C)C)c1O ZINC000000045179 563211757 /nfs/dbraw/zinc/21/17/57/563211757.db2.gz BYWITTZEBMRPSI-UHFFFAOYSA-N 0 1 319.489 3.944 50 0 DHAAMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(Cl)c(Cl)c1 ZINC000000067985 563212721 /nfs/dbraw/zinc/21/27/21/563212721.db2.gz ZTSBQYPCVIXEIC-UHFFFAOYSA-N 0 1 307.140 3.517 50 0 DHAAMN c1ccc(COc2ccccc2CNCc2cccnc2)cc1 ZINC000000119153 563219819 /nfs/dbraw/zinc/21/98/19/563219819.db2.gz NIAXBZLCBZKKRR-UHFFFAOYSA-N 0 1 304.393 3.950 50 0 DHAAMN COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1OC ZINC000000237853 563232166 /nfs/dbraw/zinc/23/21/66/563232166.db2.gz GAHJUOIVAKWIIW-UHFFFAOYSA-N 0 1 311.385 3.511 50 0 DHAAMN CCOC(=O)c1c2cc(OC)ccc2oc1CN1CCCCC1 ZINC000000380835 563247728 /nfs/dbraw/zinc/24/77/28/563247728.db2.gz GCWVFAKIMDGKKD-UHFFFAOYSA-N 0 1 317.385 3.604 50 0 DHAAMN CC(C)c1ccc(O)c(C(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000000481666 563262762 /nfs/dbraw/zinc/26/27/62/563262762.db2.gz VOGMBBCSRCZFFD-UHFFFAOYSA-N 0 1 306.365 3.932 50 0 DHAAMN O=C(c1ccc(F)cc1F)c1ccccc1CN1CCCC1 ZINC000002515585 563306046 /nfs/dbraw/zinc/30/60/46/563306046.db2.gz DCJLKQSQWINJMH-UHFFFAOYSA-N 0 1 301.336 3.792 50 0 DHAAMN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(O)cc2)C1 ZINC000011815020 563359169 /nfs/dbraw/zinc/35/91/69/563359169.db2.gz WSORWUCARJFHLM-HNNXBMFYSA-N 0 1 315.438 3.857 50 0 DHAAMN Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+](C)C1CCOCC1 ZINC000011879658 563359958 /nfs/dbraw/zinc/35/99/58/563359958.db2.gz JOBSXKRZRSBQNR-UHFFFAOYSA-N 0 1 322.355 3.539 50 0 DHAAMN Cc1oc(-c2cc(F)cc(F)c2)nc1CN(C)C1CCOCC1 ZINC000011879658 563359959 /nfs/dbraw/zinc/35/99/59/563359959.db2.gz JOBSXKRZRSBQNR-UHFFFAOYSA-N 0 1 322.355 3.539 50 0 DHAAMN CC1CCN([C@H](CNC(=O)c2ccoc2)c2cccs2)CC1 ZINC000012903815 563375330 /nfs/dbraw/zinc/37/53/30/563375330.db2.gz IOTYXMAPWMUFAU-OAHLLOKOSA-N 0 1 318.442 3.544 50 0 DHAAMN COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000013056680 563377176 /nfs/dbraw/zinc/37/71/76/563377176.db2.gz JUEDHDJGNFBYDF-TXEJJXNPSA-N 0 1 324.852 3.573 50 0 DHAAMN CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032895277 563408498 /nfs/dbraw/zinc/40/84/98/563408498.db2.gz WAIMGWRSTPRZIR-IBGZPJMESA-N 0 1 307.397 3.815 50 0 DHAAMN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCCC1 ZINC000025418796 563422772 /nfs/dbraw/zinc/42/27/72/563422772.db2.gz IAMYJZLYBHNNIY-MRXNPFEDSA-N 0 1 308.425 3.700 50 0 DHAAMN CCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000027663855 563429504 /nfs/dbraw/zinc/42/95/04/563429504.db2.gz HIDPYNRFYJXCER-MRXNPFEDSA-N 0 1 308.853 3.783 50 0 DHAAMN Cc1ccc(C)c(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1 ZINC000029483007 563434220 /nfs/dbraw/zinc/43/42/20/563434220.db2.gz YBWIDZRCOYRQLD-IBGZPJMESA-N 0 1 308.425 3.861 50 0 DHAAMN Cc1ccc2oc(=O)cc(CN(C)Cc3ccc(F)cc3)c2c1 ZINC000033018660 563443896 /nfs/dbraw/zinc/44/38/96/563443896.db2.gz CNKAXPMFBVMKKZ-UHFFFAOYSA-N 0 1 311.356 3.873 50 0 DHAAMN Cc1nc(C2CCCC2)sc1C(=O)Nc1nc(C(C)C)n[nH]1 ZINC000096430853 563482163 /nfs/dbraw/zinc/48/21/63/563482163.db2.gz YMJMTIOQEFICQQ-UHFFFAOYSA-N 0 1 319.434 3.603 50 0 DHAAMN Cc1nc(C2CCCC2)sc1C(=O)Nc1n[nH]c(C(C)C)n1 ZINC000096430853 563482166 /nfs/dbraw/zinc/48/21/66/563482166.db2.gz YMJMTIOQEFICQQ-UHFFFAOYSA-N 0 1 319.434 3.603 50 0 DHAAMN COc1nccnc1Oc1ccc(CN2CCCC2)cc1Cl ZINC000067694672 563489901 /nfs/dbraw/zinc/48/99/01/563489901.db2.gz KLQOUJNBROUQOU-UHFFFAOYSA-N 0 1 319.792 3.527 50 0 DHAAMN CCCCc1ncc(CN(CC)Cc2c(C)nn(CC)c2C)[nH]1 ZINC000067966900 563494287 /nfs/dbraw/zinc/49/42/87/563494287.db2.gz JQAWIYZDCBFLKA-UHFFFAOYSA-N 0 1 317.481 3.608 50 0 DHAAMN Cc1nnc(CN[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)o1 ZINC000097110972 563506301 /nfs/dbraw/zinc/50/63/01/563506301.db2.gz WTUPZDTZCPOHTK-VHSXEESVSA-N 0 1 313.323 3.679 50 0 DHAAMN CCn1nc(-c2csc(C)n2)nc1-c1ccc2[nH]c(C)nc2c1 ZINC000096133127 563532991 /nfs/dbraw/zinc/53/29/91/563532991.db2.gz ZQDZXLGLOLMUAN-UHFFFAOYSA-N 0 1 324.413 3.582 50 0 DHAAMN CCCCOc1ccc(CN2CCC[C@@H]2c2n[nH]c(C)n2)cc1 ZINC000097823415 563542448 /nfs/dbraw/zinc/54/24/48/563542448.db2.gz TZIRTAOIKNUWLT-QGZVFWFLSA-N 0 1 314.433 3.629 50 0 DHAAMN O=c1c2ccccc2[nH]c(=S)n1Cc1ccc(Cl)cc1 ZINC000100071927 563545918 /nfs/dbraw/zinc/54/59/18/563545918.db2.gz DVWVZXIDBCWYLW-UHFFFAOYSA-N 0 1 302.786 3.761 50 0 DHAAMN CC(C)[C@@H](C)N(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 ZINC000127813788 563604722 /nfs/dbraw/zinc/60/47/22/563604722.db2.gz YIZGJWHFQYIZOI-GFCCVEGCSA-N 0 1 315.392 3.865 50 0 DHAAMN COc1cccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)c1 ZINC000051315592 563675170 /nfs/dbraw/zinc/67/51/70/563675170.db2.gz YYDLMQIEYXONJK-UHFFFAOYSA-N 0 1 321.380 3.954 50 0 DHAAMN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000048299318 563695803 /nfs/dbraw/zinc/69/58/03/563695803.db2.gz PQNXPRPDGLHCMK-KRWDZBQOSA-N 0 1 314.816 3.943 50 0 DHAAMN O=C(Nc1cccc(CNCc2cccnc2)c1)C1CCCC1 ZINC000048781324 563700111 /nfs/dbraw/zinc/70/01/11/563700111.db2.gz XRXCVAMWBCIILR-UHFFFAOYSA-N 0 1 309.413 3.500 50 0 DHAAMN Clc1cccc(CN2CCC(c3nnc(C4CC4)o3)CC2)c1 ZINC000049377617 563701139 /nfs/dbraw/zinc/70/11/39/563701139.db2.gz WLFQCVRPEIUUFQ-UHFFFAOYSA-N 0 1 317.820 3.980 50 0 DHAAMN CN(CC(=O)NC(C)(C)C)C1c2ccccc2-c2ccccc21 ZINC000049974456 563702356 /nfs/dbraw/zinc/70/23/56/563702356.db2.gz SWBXGPFPJXKVGA-UHFFFAOYSA-N 0 1 308.425 3.603 50 0 DHAAMN C[N@@H+](CCC[C@H]1CCCO1)Cc1cnc(C2CCCCC2)nc1 ZINC000215456236 563705859 /nfs/dbraw/zinc/70/58/59/563705859.db2.gz DNMXYKFFWZMQDM-SFHVURJKSA-N 0 1 317.477 3.915 50 0 DHAAMN Cc1ccc(C[N@@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)o1 ZINC000216435847 563709919 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/nfs/dbraw/zinc/31/91/53/183319153.db2.gz LZANOVSWANCXJZ-CYBMUJFWSA-N 0 1 317.433 3.506 50 0 DHAAMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)C1CCCCC1 ZINC000044920554 183458385 /nfs/dbraw/zinc/45/83/85/183458385.db2.gz YRJWLPIVONMWRS-MRXNPFEDSA-N 0 1 313.401 3.933 50 0 DHAAMN CC(C)[C@H](NC(=O)CN1CCCC[C@@H]1C)c1ccc(F)cc1 ZINC000105655303 194118062 /nfs/dbraw/zinc/11/80/62/194118062.db2.gz OZRVVVJFFFLTPJ-KSSFIOAISA-N 0 1 306.425 3.513 50 0 DHAAMN CCc1oc(C(=O)N2CCC[C@H]2CC)cc1CN(CC)CC ZINC000055099754 183964473 /nfs/dbraw/zinc/96/44/73/183964473.db2.gz LOPRMLDDKBCRNJ-OAHLLOKOSA-N 0 1 306.450 3.698 50 0 DHAAMN O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2cccs2)n[nH]1 ZINC000057413136 184037731 /nfs/dbraw/zinc/03/77/31/184037731.db2.gz YZKYFZIOVRQJPX-UHFFFAOYSA-N 0 1 309.394 3.879 50 0 DHAAMN CSc1ccc(-c2noc(CN3CCC(C)CC3)n2)cc1 ZINC000057427603 184038142 /nfs/dbraw/zinc/03/81/42/184038142.db2.gz KKNTXOAAKSUUHQ-UHFFFAOYSA-N 0 1 303.431 3.690 50 0 DHAAMN Cc1ccc(CN(C(=O)c2cc(C(C)C)[nH]n2)C(C)C)s1 ZINC000057444564 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COc1cc2c(cc1-c1nc[nH]c1-c1ccccc1)OCCCO2 ZINC000065403800 184337466 /nfs/dbraw/zinc/33/74/66/184337466.db2.gz UZHTYPJLKIBOHO-UHFFFAOYSA-N 0 1 322.364 3.914 50 0 DHAAMN c1cc(CN2CCC(c3n[nH]cc3Cc3ccccc3)CC2)co1 ZINC000023192794 257269149 /nfs/dbraw/zinc/26/91/49/257269149.db2.gz SIEDYBPEVGXLKC-UHFFFAOYSA-N 0 1 321.424 3.973 50 0 DHAAMN C[C@H](NC(=O)CN1CCC(C)CC1)c1ccc2ccccc2c1 ZINC000007446883 331502683 /nfs/dbraw/zinc/50/26/83/331502683.db2.gz DDVDJWNVLHISBM-INIZCTEOSA-N 0 1 310.441 3.749 50 0 DHAAMN Cc1c2c(nn1-c1ccc(Cl)cc1)c(=S)[nH]nc2S ZINC000096306029 332178586 /nfs/dbraw/zinc/17/85/86/332178586.db2.gz SRSSDKSOKHLTHZ-UHFFFAOYSA-N 0 1 308.819 3.729 50 0 DHAAMN CC(C)c1[nH]ncc1C(=O)Nc1cc(CC2CCCCC2)[nH]n1 ZINC000189196798 333065826 /nfs/dbraw/zinc/06/58/26/333065826.db2.gz ABNGKFMILAFQSQ-UHFFFAOYSA-N 0 1 315.421 3.631 50 0 DHAAMN O=C([O-])c1cccc([C@H]2CCC[N@@H+](CCCc3cccnc3)C2)c1 ZINC000095382387 518201585 /nfs/dbraw/zinc/20/15/85/518201585.db2.gz ZQCMPVMWYRILPF-IBGZPJMESA-N 0 1 324.424 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0 DHAAMN COc1cccc(-c2[nH]nc(C3CC3)c2NC(=O)C(C)(C)C)c1 ZINC000034796125 563324571 /nfs/dbraw/zinc/32/45/71/563324571.db2.gz FEIUXRBHMVIGRJ-UHFFFAOYSA-N 0 1 313.401 3.947 50 0 DHAAMN Cc1oc(-c2ccoc2)nc1CN(CC1CC1)C[C@@H]1CCCO1 ZINC000012208079 563364601 /nfs/dbraw/zinc/36/46/01/563364601.db2.gz RVOGEOUIPAOAJK-INIZCTEOSA-N 0 1 316.401 3.634 50 0 DHAAMN COc1ccc(-c2noc(CN(C)C3CCCCC3)n2)cc1 ZINC000012386974 563368293 /nfs/dbraw/zinc/36/82/93/563368293.db2.gz UBRZGTBWOJAPTC-UHFFFAOYSA-N 0 1 301.390 3.510 50 0 DHAAMN COc1cc(Cl)c(C)cc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000013056678 563377641 /nfs/dbraw/zinc/37/76/41/563377641.db2.gz JUEDHDJGNFBYDF-RYUDHWBXSA-N 0 1 324.852 3.573 50 0 DHAAMN c1csc(-c2n[nH]c(Sc3ncnc4ccsc43)n2)c1 ZINC000014137395 563396330 /nfs/dbraw/zinc/39/63/30/563396330.db2.gz NZQZGGSIWTVLON-UHFFFAOYSA-N 0 1 317.424 3.689 50 0 DHAAMN CCc1ccc(C(=O)[C@H](C)Sc2nc(C(C)C)n[nH]2)cc1 ZINC000014162242 563397037 /nfs/dbraw/zinc/39/70/37/563397037.db2.gz XUENLTPORFDNHV-NSHDSACASA-N 0 1 303.431 3.854 50 0 DHAAMN CCc1ccc(C(=O)[C@H](C)Sc2n[nH]c(C(C)C)n2)cc1 ZINC000014162242 563397038 /nfs/dbraw/zinc/39/70/38/563397038.db2.gz XUENLTPORFDNHV-NSHDSACASA-N 0 1 303.431 3.854 50 0 DHAAMN Cc1ccc2[nH]nc(C(=O)NCC3(c4ccccc4)CCC3)c2c1 ZINC000032814761 563398963 /nfs/dbraw/zinc/39/89/63/563398963.db2.gz NPWWCQNDGMPQST-UHFFFAOYSA-N 0 1 319.408 3.723 50 0 DHAAMN CC(C)c1nnc(NC(=O)c2cc(-c3ccccc3)no2)s1 ZINC000032913672 563411596 /nfs/dbraw/zinc/41/15/96/563411596.db2.gz OHRDFTGVZZKLBK-UHFFFAOYSA-N 0 1 314.370 3.569 50 0 DHAAMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000072050578 563418220 /nfs/dbraw/zinc/41/82/20/563418220.db2.gz VZWBCJJVUDLYCA-MRXNPFEDSA-N 0 1 322.424 3.705 50 0 DHAAMN Cc1nc2ccc(NC(=O)COc3cccc(C)c3C)cc2[nH]1 ZINC000010895635 563419666 /nfs/dbraw/zinc/41/96/66/563419666.db2.gz PCGGADINRVFYAL-UHFFFAOYSA-N 0 1 309.369 3.506 50 0 DHAAMN CCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582702 563428677 /nfs/dbraw/zinc/42/86/77/563428677.db2.gz MYKDRCCAVFCVOT-MRXNPFEDSA-N 0 1 308.853 3.783 50 0 DHAAMN O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cccs1 ZINC000027584185 563428829 /nfs/dbraw/zinc/42/88/29/563428829.db2.gz GKPSLPOBEAMFHS-CYBMUJFWSA-N 0 1 320.483 3.767 50 0 DHAAMN CCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027582708 563428868 /nfs/dbraw/zinc/42/88/68/563428868.db2.gz MYKDRCCAVFCVOT-INIZCTEOSA-N 0 1 308.853 3.783 50 0 DHAAMN COc1ccc(/C=C/c2nc(C)nc(-c3ccccc3O)n2)cc1 ZINC000030781698 563439025 /nfs/dbraw/zinc/43/90/25/563439025.db2.gz ZAQIJRYDBOLWCY-FMIVXFBMSA-N 0 1 319.364 3.732 50 0 DHAAMN Cc1ccc(-c2nc(CSc3nc(C4CC4)n[nH]3)cs2)o1 ZINC000030925347 563439893 /nfs/dbraw/zinc/43/98/93/563439893.db2.gz PZHHUZBSPCHRLG-UHFFFAOYSA-N 0 1 318.427 3.999 50 0 DHAAMN Cc1ccc(-c2nc(CSc3n[nH]c(C4CC4)n3)cs2)o1 ZINC000030925347 563439898 /nfs/dbraw/zinc/43/98/98/563439898.db2.gz PZHHUZBSPCHRLG-UHFFFAOYSA-N 0 1 318.427 3.999 50 0 DHAAMN CCOc1ccc(C[N@@H+](Cc2cccnc2NC)C2CC2)cc1 ZINC000055252833 563472860 /nfs/dbraw/zinc/47/28/60/563472860.db2.gz ZRZZULMWFOKMFT-UHFFFAOYSA-N 0 1 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COc1ccc(CN(C)Cc2cc(=O)oc3ccc(C)cc23)cc1 ZINC000033018621 563444159 /nfs/dbraw/zinc/44/41/59/563444159.db2.gz DQFGYVZFAOKZCY-UHFFFAOYSA-N 0 1 323.392 3.742 50 0 biogenic DHAAMN COc1cc2nc(N3CCC(C)CC3)cc(C)c2c(OC)c1 ZINC000005006095 563450551 /nfs/dbraw/zinc/45/05/51/563450551.db2.gz IQQKHVGJXOYDKH-UHFFFAOYSA-N 0 1 300.402 3.797 50 0 DHAAMN CCCN(Cc1ccc(OC)nc1)Cc1ccccc1OC ZINC000055212167 563473071 /nfs/dbraw/zinc/47/30/71/563473071.db2.gz RUGTVHYIYLJITR-UHFFFAOYSA-N 0 1 300.402 3.511 50 0 DHAAMN O=C(CN1CCC(CCc2ccccc2)CC1)Nc1ccccc1 ZINC000011154983 563477927 /nfs/dbraw/zinc/47/79/27/563477927.db2.gz ILYKZTIPQMFBKX-UHFFFAOYSA-N 0 1 322.452 3.970 50 0 DHAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC([C@@H](C)O)CC1 ZINC000067643001 563488895 /nfs/dbraw/zinc/48/88/95/563488895.db2.gz RPEPPMNQSJGCDN-CQSZACIVSA-N 0 1 314.429 3.551 50 0 DHAAMN c1csc(-c2n[nH]cc2-c2nc(Cc3ccccc3)n[nH]2)c1 ZINC000067756672 563490272 /nfs/dbraw/zinc/49/02/72/563490272.db2.gz ZNONLBZTDAFQKO-UHFFFAOYSA-N 0 1 307.382 3.514 50 0 DHAAMN COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc2c1OCO2 ZINC000067948050 563494301 /nfs/dbraw/zinc/49/43/01/563494301.db2.gz TXMQLUYTSYAURC-UHFFFAOYSA-N 0 1 302.717 3.621 50 0 DHAAMN COc1ccc(Cl)c2c(=O)c(CN3CCCC3)c(C)[nH]c12 ZINC000008717391 563523287 /nfs/dbraw/zinc/52/32/87/563523287.db2.gz RLQWBSUNPXQHJD-UHFFFAOYSA-N 0 1 306.793 3.507 50 0 DHAAMN O=C([O-])[C@@H](c1ccc(C2CCCC2)cc1)[NH+]1CCSCC1 ZINC000095375984 563529635 /nfs/dbraw/zinc/52/96/35/563529635.db2.gz JRCFHKHNHWLPEO-MRXNPFEDSA-N 0 1 305.443 3.519 50 0 DHAAMN Cc1cccc(CC[N@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095377351 563529985 /nfs/dbraw/zinc/52/99/85/563529985.db2.gz LYLSNMRKWVSNEG-SFHVURJKSA-N 0 1 324.424 3.510 50 0 DHAAMN C[C@@H](NC(=O)CCc1nc2ccc(F)cc2[nH]1)C1=CCCCC1 ZINC000097532456 563540298 /nfs/dbraw/zinc/54/02/98/563540298.db2.gz ITAMOFLVDMLXSF-GFCCVEGCSA-N 0 1 315.392 3.640 50 0 DHAAMN COCC[C@H]1CN(Cc2ccccc2-c2ccccc2)CCO1 ZINC000097594713 563540549 /nfs/dbraw/zinc/54/05/49/563540549.db2.gz PRVRYSLTUUYZOX-IBGZPJMESA-N 0 1 311.425 3.591 50 0 DHAAMN CC(C)Cc1cc(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)n[nH]1 ZINC000097660681 563540904 /nfs/dbraw/zinc/54/09/04/563540904.db2.gz SNIDYNFKAZHFFY-LBPRGKRZSA-N 0 1 315.392 3.507 50 0 DHAAMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H]1c1ccsc1 ZINC000247864441 563573901 /nfs/dbraw/zinc/57/39/01/563573901.db2.gz HZCNSHWYHFMTNK-FMKPAKJESA-N 0 1 306.475 3.675 50 0 DHAAMN CCn1cc(CNCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000113397909 563581551 /nfs/dbraw/zinc/58/15/51/563581551.db2.gz KRCJSNWEGKLFDE-UHFFFAOYSA-N 0 1 304.397 3.827 50 0 DHAAMN CC(C)Cc1nc2ccc(NC(=O)[C@H](C)n3cccc3)cc2[nH]1 ZINC000409413097 563597324 /nfs/dbraw/zinc/59/73/24/563597324.db2.gz CCNLUVYQRKNQBN-ZDUSSCGKSA-N 0 1 310.401 3.763 50 0 DHAAMN CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000000339775 563629924 /nfs/dbraw/zinc/62/99/24/563629924.db2.gz SYNYLGLKRLSVLN-UHFFFAOYSA-N 0 1 310.806 3.659 50 0 DHAAMN CC[C@H]1c2ccsc2CCN1C(=O)c1cccc2n[nH]cc21 ZINC000045956389 563691148 /nfs/dbraw/zinc/69/11/48/563691148.db2.gz BSLSWTDIWPGZNT-HNNXBMFYSA-N 0 1 311.410 3.774 50 0 DHAAMN Cc1oc(-c2cccs2)nc1CN(C[C@H]1CCOC1)C1CC1 ZINC000048235376 563694143 /nfs/dbraw/zinc/69/41/43/563694143.db2.gz FMNARGRYNBPQND-CYBMUJFWSA-N 0 1 318.442 3.712 50 0 DHAAMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000117683558 563700937 /nfs/dbraw/zinc/70/09/37/563700937.db2.gz KFNFWUMLKQDFKI-IRXDYDNUSA-N 0 1 315.800 3.640 50 0 DHAAMN Cc1c2cc(C)ccc2oc1C[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000215340602 563705245 /nfs/dbraw/zinc/70/52/45/563705245.db2.gz BOORDPFJEMMNMU-AWEZNQCLSA-N 0 1 309.413 3.903 50 0 DHAAMN CC[C@H](C(=O)N1CCC[C@@H](C)CC1)N(C)Cc1ccccc1 ZINC000225802401 563764006 /nfs/dbraw/zinc/76/40/06/563764006.db2.gz FNQHQBXDKHTKCX-SJLPKXTDSA-N 0 1 302.462 3.546 50 0 DHAAMN Cc1ccc(C(=O)[C@H]2CN(C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000052525323 563788731 /nfs/dbraw/zinc/78/87/31/563788731.db2.gz DHOWIUDKAWCXFP-OALUTQOASA-N 0 1 321.420 3.547 50 0 DHAAMN CCOC(=O)C1(N2CCCC2)c2ccccc2-c2ccccc21 ZINC000075260326 563862238 /nfs/dbraw/zinc/86/22/38/563862238.db2.gz JPBNVLXKYSMRMF-UHFFFAOYSA-N 0 1 307.393 3.570 50 0 DHAAMN Cc1ccccc1C(=O)NC[C@H](c1cc2ccccc2o1)N(C)C ZINC000575622157 563868278 /nfs/dbraw/zinc/86/82/78/563868278.db2.gz WTTNKUMVJAIICW-QGZVFWFLSA-N 0 1 322.408 3.774 50 0 DHAAMN Cc1cc(C)c(NC(=O)c2cc(-c3cccnc3)n[nH]2)c(C)c1 ZINC000075441562 563871703 /nfs/dbraw/zinc/87/17/03/563871703.db2.gz NLHURANMIWEVEB-UHFFFAOYSA-N 0 1 306.369 3.649 50 0 DHAAMN CC(C)CNC(=O)CCc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000075478982 563876085 /nfs/dbraw/zinc/87/60/85/563876085.db2.gz PQIFJQLDKJTVDT-UHFFFAOYSA-N 0 1 321.424 3.935 50 0 DHAAMN C[C@@H]1C[C@@H]1c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)o1 ZINC000245566205 563881990 /nfs/dbraw/zinc/88/19/90/563881990.db2.gz SNPFBPXJLNNIRB-OLMNPRSZSA-N 0 1 319.445 3.563 50 0 DHAAMN CN1CC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000089375150 563885609 /nfs/dbraw/zinc/88/56/09/563885609.db2.gz CSMYIWLVWJTCFC-SJORKVTESA-N 0 1 314.816 3.515 50 0 DHAAMN Fc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000037302748 563908545 /nfs/dbraw/zinc/90/85/45/563908545.db2.gz WXUKSNFPZASATQ-UHFFFAOYSA-N 0 1 307.752 3.540 50 0 DHAAMN OCc1ccccc1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000089813984 563911538 /nfs/dbraw/zinc/91/15/38/563911538.db2.gz JKDZLIYHLXSSKF-GOSISDBHSA-N 0 1 309.409 3.715 50 0 DHAAMN Cc1ccc(S(=O)(=O)Nc2cccc3cccnc32)c(C)c1 ZINC000007709449 563918025 /nfs/dbraw/zinc/91/80/25/563918025.db2.gz XICGESJDXFNPCJ-UHFFFAOYSA-N 0 1 312.394 3.652 50 0 DHAAMN CC[N@@H+](CC(=O)[O-])[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000225455738 563928209 /nfs/dbraw/zinc/92/82/09/563928209.db2.gz VBEYMNFPHSBQBQ-CQSZACIVSA-N 0 1 313.397 3.830 50 0 DHAAMN O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000095967051 563932902 /nfs/dbraw/zinc/93/29/02/563932902.db2.gz QMLUMZVJISHTKV-CVEARBPZSA-N 0 1 313.363 3.832 50 0 DHAAMN O=C(NCc1cccs1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000095977138 563933701 /nfs/dbraw/zinc/93/37/01/563933701.db2.gz NTVXDOOSJJUMRL-UHFFFAOYSA-N 0 1 322.340 3.884 50 0 DHAAMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000095991430 563934381 /nfs/dbraw/zinc/93/43/81/563934381.db2.gz FPPSDWMBNHPRFV-DMZKTXOQSA-N 0 1 317.429 3.903 50 0 DHAAMN COc1ccc(O)cc1[C@H](C)N[C@@H]1CCc2c1cccc2F ZINC000096006902 563934955 /nfs/dbraw/zinc/93/49/55/563934955.db2.gz RMWLNTJSFFBVFH-APPDUMDISA-N 0 1 301.361 3.878 50 0 DHAAMN CSc1ccccc1NC(=S)NCCc1ccccc1 ZINC000002779123 563940815 /nfs/dbraw/zinc/94/08/15/563940815.db2.gz VEVGLLQOBYVPLD-UHFFFAOYSA-N 0 1 302.468 3.938 50 0 DHAAMN O=C(CCCCc1ccccc1)NCc1ccc2nc[nH]c2c1 ZINC000670455947 563945013 /nfs/dbraw/zinc/94/50/13/563945013.db2.gz GFZXLMKFVFPQAN-UHFFFAOYSA-N 0 1 307.397 3.592 50 0 DHAAMN C[C@@H]1CCCN([C@@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000008548295 563949045 /nfs/dbraw/zinc/94/90/45/563949045.db2.gz ICHHZXDFTNZSLP-VQIMIIECSA-N 0 1 314.473 3.909 50 0 DHAAMN CCn1cncc1CN1CCC(Sc2cccc(C)c2)CC1 ZINC000670472902 563949762 /nfs/dbraw/zinc/94/97/62/563949762.db2.gz SDMLQKLLPZUVKI-UHFFFAOYSA-N 0 1 315.486 3.968 50 0 DHAAMN CCc1nc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1 ZINC000008734036 563950358 /nfs/dbraw/zinc/95/03/58/563950358.db2.gz QUOWYRVAQCONQK-LKBWSCCASA-N 0 1 319.474 3.633 50 0 DHAAMN CCc1n[nH]c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000008734036 563950359 /nfs/dbraw/zinc/95/03/59/563950359.db2.gz QUOWYRVAQCONQK-LKBWSCCASA-N 0 1 319.474 3.633 50 0 DHAAMN Cc1ccc(-c2nc(CN[C@@H](C)[C@H](C)n3cccn3)cs2)o1 ZINC000069921822 563955418 /nfs/dbraw/zinc/95/54/18/563955418.db2.gz OGXNPVGQKCTXQJ-STQMWFEESA-N 0 1 316.430 3.647 50 0 DHAAMN Clc1ccccc1OCCSC1=N[C@@H]2CCCC[C@H]2N1 ZINC000009691498 563957375 /nfs/dbraw/zinc/95/73/75/563957375.db2.gz LKQMLYXTQLNVRS-CHWSQXEVSA-N 0 1 310.850 3.722 50 0 DHAAMN O=C(Nc1ccc(F)cc1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000009728213 563957517 /nfs/dbraw/zinc/95/75/17/563957517.db2.gz PCAMMJQPIUENNT-UHFFFAOYSA-N 0 1 307.328 3.567 50 0 DHAAMN Cc1ccc(CCCNC(=O)c2n[nH]c3ccccc32)c(C)c1 ZINC000009889925 563957745 /nfs/dbraw/zinc/95/77/45/563957745.db2.gz MINYYZDVTAYFIX-UHFFFAOYSA-N 0 1 307.397 3.542 50 0 DHAAMN COc1ccccc1CN[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000071831366 563959055 /nfs/dbraw/zinc/95/90/55/563959055.db2.gz DCMSLASSYNIYTB-OAHLLOKOSA-N 0 1 324.424 3.673 50 0 DHAAMN CN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1 ZINC000004051039 1013438105 /nfs/dbraw/zinc/43/81/05/1013438105.db2.gz NFZVJHWAJYJGOY-UHFFFAOYSA-N 0 1 303.409 3.654 50 0 DHAAMN CC[C@@H]1CCCN(C(=O)c2ccc(CN3CCCCC3)s2)C1 ZINC000072307017 1013719414 /nfs/dbraw/zinc/71/94/14/1013719414.db2.gz NIGGZDINOBZLBW-OAHLLOKOSA-N 0 1 320.502 3.996 50 0 DHAAMN CC[N@@H+](Cc1nc(-c2cccs2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289803140 1014463708 /nfs/dbraw/zinc/46/37/08/1014463708.db2.gz NCEGUIXDQJYNCU-LBPRGKRZSA-N 0 1 321.446 3.578 50 0 DHAAMN CCN(Cc1nc(-c2cccs2)no1)[C@H]1CCOC(C)(C)C1 ZINC000289803140 1014463713 /nfs/dbraw/zinc/46/37/13/1014463713.db2.gz NCEGUIXDQJYNCU-LBPRGKRZSA-N 0 1 321.446 3.578 50 0 DHAAMN Cc1cc([C@@H](C(=O)[O-])[N@@H+](C)C/C=C/c2ccccc2)ccc1F ZINC000063847057 1019417141 /nfs/dbraw/zinc/41/71/41/1019417141.db2.gz LNLLTSQYDXQVGE-YOCVDRLZSA-N 0 1 313.372 3.905 50 0 DHAAMN COc1cccc([C@@H]2CCN(Cc3ccc(Cl)o3)C2)c1OC ZINC000824521390 1020573951 /nfs/dbraw/zinc/57/39/51/1020573951.db2.gz SZVCRXFOQJTYED-GFCCVEGCSA-N 0 1 321.804 3.940 50 0 DHAAMN Cc1cnc(C2CC2)n1[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581805819 1021845822 /nfs/dbraw/zinc/84/58/22/1021845822.db2.gz GGRKSIFVSHJKDU-GOSISDBHSA-N 0 1 323.440 3.855 50 0 DHAAMN Cc1cnc(C2CC2)n1[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000581805510 1021848451 /nfs/dbraw/zinc/84/84/51/1021848451.db2.gz AYVZHVXTGYNXDJ-CQSZACIVSA-N 0 1 315.442 3.608 50 0 DHAAMN COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)[nH]n2)cc1 ZINC000051315556 1022334878 /nfs/dbraw/zinc/33/48/78/1022334878.db2.gz KJMPHRASNGPPDE-UHFFFAOYSA-N 0 1 321.380 3.954 50 0 DHAAMN COc1ccc(CN[C@@H]2CCSc3ccccc32)cc1O ZINC000032735856 1024885082 /nfs/dbraw/zinc/88/50/82/1024885082.db2.gz WJOFLWBNFDJVDA-CQSZACIVSA-N 0 1 301.411 3.728 50 0 DHAAMN C[C@@H]1C[C@@H]1c1ccc(CN(C)[C@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000585116684 1029773966 /nfs/dbraw/zinc/77/39/66/1029773966.db2.gz FPBBWRVUJVZQFD-SKDZVZGDSA-N 0 1 322.412 3.743 50 0 DHAAMN Nc1cc2cn[nH]c2c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000075566706 1030980249 /nfs/dbraw/zinc/98/02/49/1030980249.db2.gz FBDZIELTTJEUON-UHFFFAOYSA-N 0 1 321.167 3.704 50 0 DHAAMN COc1ccc([C@H]2CCN(Cc3cc(C(C)(C)C)on3)C2)cc1 ZINC000809939896 1034147878 /nfs/dbraw/zinc/14/78/78/1034147878.db2.gz YUKGBNRTNCIMLO-HNNXBMFYSA-N 0 1 314.429 3.970 50 0 DHAAMN Cc1ccc(CNCc2ccsc2)c(O[C@@H]2CCOC2)c1 ZINC000095412299 185357631 /nfs/dbraw/zinc/35/76/31/185357631.db2.gz YBUFOFFUMRREDS-MRXNPFEDSA-N 0 1 303.427 3.514 50 0 DHAAMN Cc1csc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000095413242 185357961 /nfs/dbraw/zinc/35/79/61/185357961.db2.gz PDCDDWPMQCJPNE-GJZGRUSLSA-N 0 1 320.458 3.913 50 0 DHAAMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccncc1Cl ZINC000095443771 185367103 /nfs/dbraw/zinc/36/71/03/185367103.db2.gz RSUCHZZTICTUAR-UHFFFAOYSA-N 0 1 322.702 3.801 50 0 DHAAMN CNc1nc(NCc2ccc3[nH]c(C)c(C)c3c2)nc2c1CCC2 ZINC000071763600 191028092 /nfs/dbraw/zinc/02/80/92/191028092.db2.gz GISSDWOWALNUBQ-UHFFFAOYSA-N 0 1 321.428 3.717 50 0 DHAAMN Cc1nc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)co1 ZINC000072121936 191039769 /nfs/dbraw/zinc/03/97/69/191039769.db2.gz UNKMZAOOSSJFFL-QGZVFWFLSA-N 0 1 300.402 3.676 50 0 DHAAMN c1nc(-c2ccccc2)sc1CN1CC(c2cccnc2)C1 ZINC000072143006 191049411 /nfs/dbraw/zinc/04/94/11/191049411.db2.gz PPSMIBXVLAPNLN-UHFFFAOYSA-N 0 1 307.422 3.805 50 0 DHAAMN Cc1ccsc1C[N@H+]1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072145389 191050812 /nfs/dbraw/zinc/05/08/12/191050812.db2.gz CZAICVIXBXIHNF-ZDUSSCGKSA-N 0 1 301.411 3.744 50 0 DHAAMN Clc1ccc(CN2CCC(OCc3cccnc3)CC2)s1 ZINC000072161152 191061827 /nfs/dbraw/zinc/06/18/27/191061827.db2.gz GOHFWOKGXKAIAI-UHFFFAOYSA-N 0 1 322.861 3.978 50 0 DHAAMN CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000003326418 181005340 /nfs/dbraw/zinc/00/53/40/181005340.db2.gz XGEUHHVXGLXKKP-UHFFFAOYSA-N 0 1 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/nfs/dbraw/zinc/02/16/31/182021631.db2.gz GSVAVLALCYHGIF-QGZVFWFLSA-N 0 1 312.413 3.545 50 0 DHAAMN Cc1ccc2[nH]c(CN(C)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000015862323 182022720 /nfs/dbraw/zinc/02/27/20/182022720.db2.gz IRPSIKVAWRXGFQ-UHFFFAOYSA-N 0 1 310.372 3.608 50 0 DHAAMN C[C@@H]1CN(CCCOc2cc(Cl)ccc2Cl)C[C@H](C)O1 ZINC000016247432 182038725 /nfs/dbraw/zinc/03/87/25/182038725.db2.gz LIKHRWUHHPZKIE-TXEJJXNPSA-N 0 1 318.244 3.872 50 0 DHAAMN CN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000019536758 182129477 /nfs/dbraw/zinc/12/94/77/182129477.db2.gz RHTVLVXDZUFGCM-UHFFFAOYSA-N 0 1 316.832 3.880 50 0 DHAAMN COc1ccc(CCN(C)Cc2ccc(F)cc2F)cc1OC ZINC000019607233 182132848 /nfs/dbraw/zinc/13/28/48/182132848.db2.gz TWJCDJXLJCCMEU-UHFFFAOYSA-N 0 1 321.367 3.657 50 0 DHAAMN Cc1[nH]c2ccc(F)cc2c(=O)c1CN1CCc2ccccc2C1 ZINC000019793453 182149937 /nfs/dbraw/zinc/14/99/37/182149937.db2.gz BLSSUORJMFYQBY-UHFFFAOYSA-N 0 1 322.383 3.534 50 0 DHAAMN Cc1ccc(C(C)C)c(OCCCCCN2CCOCC2)c1 ZINC000021540283 182280106 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COc1ccc(-c2cnc(NCc3cccc(OC)c3)n2C)cc1 ZINC000000819125 563721112 /nfs/dbraw/zinc/72/11/12/563721112.db2.gz LCVOJBGSGIOMKF-UHFFFAOYSA-N 0 1 323.396 3.716 50 0 DHAAMN CCCC[C@H](NCc1cc(C)nc(N(C)C)n1)c1ccccc1 ZINC000239869312 563776552 /nfs/dbraw/zinc/77/65/52/563776552.db2.gz CYEWJOJNFVJUDA-SFHVURJKSA-N 0 1 312.461 3.872 50 0 DHAAMN CCCC[C@@H](NCc1cc(C)nc(N(C)C)n1)c1ccccc1 ZINC000239869311 563776805 /nfs/dbraw/zinc/77/68/05/563776805.db2.gz CYEWJOJNFVJUDA-GOSISDBHSA-N 0 1 312.461 3.872 50 0 DHAAMN Cc1nc(CO[C@H]2CCN([C@@H](C)c3ccccc3F)C2)cs1 ZINC000241132956 563777081 /nfs/dbraw/zinc/77/70/81/563777081.db2.gz JNOQCLPXZHBYEZ-WFASDCNBSA-N 0 1 320.433 3.943 50 0 DHAAMN Cc1nc(CO[C@@H]2CCN([C@@H](C)c3ccccc3F)C2)cs1 ZINC000241132955 563777392 /nfs/dbraw/zinc/77/73/92/563777392.db2.gz JNOQCLPXZHBYEZ-SWLSCSKDSA-N 0 1 320.433 3.943 50 0 DHAAMN Cc1[nH]ncc1CN(C)C(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000252482422 563783844 /nfs/dbraw/zinc/78/38/44/563783844.db2.gz DEYSSWJKOFAYDB-FQEVSTJZSA-N 0 1 323.440 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/nfs/dbraw/zinc/95/90/38/563959038.db2.gz TZTHTILUMWRKLF-UHFFFAOYSA-N 0 1 312.760 3.686 50 0 DHAAMN CC(C)[C@@H](C)N(Cc1csc(-c2ncccn2)n1)C1CC1 ZINC000076675448 563960730 /nfs/dbraw/zinc/96/07/30/563960730.db2.gz ZWIARTOXRIQENA-GFCCVEGCSA-N 0 1 302.447 3.609 50 0 DHAAMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(F)cc1Cl ZINC000227221144 959934594 /nfs/dbraw/zinc/93/45/94/959934594.db2.gz YCOWLQKYWAUWFK-LKTVYLICSA-N 0 1 311.784 3.697 50 0 DHAAMN COc1cccc2c1OCC(CN(C)[C@@H](C)c1ccncc1)=C2 ZINC000952975341 1032674254 /nfs/dbraw/zinc/67/42/54/1032674254.db2.gz IZYCTELURBITAZ-AWEZNQCLSA-N 0 1 310.397 3.559 50 0 DHAAMN Cc1n[nH]c(C)c1CN(Cc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000952978415 1032679005 /nfs/dbraw/zinc/67/90/05/1032679005.db2.gz XYUGPORECVATKA-SFHVURJKSA-N 0 1 313.445 3.516 50 0 DHAAMN Cc1nc([C@H]2CC(=O)N(CC(C)C)C2)[nH]c1-c1ccc(C)cc1 ZINC000023153624 1017999426 /nfs/dbraw/zinc/99/94/26/1017999426.db2.gz FDPUNOUGWMYGQB-INIZCTEOSA-N 0 1 311.429 3.665 50 0 DHAAMN 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PVEBNHXJCSAMPW-OAHLLOKOSA-N 0 1 314.820 3.931 50 0 DHAAMN Fc1ccc2nc(CCCn3ccnc3-c3ccncc3)[nH]c2c1 ZINC000072428973 191160765 /nfs/dbraw/zinc/16/07/65/191160765.db2.gz BNZWBJGLUGEGPE-UHFFFAOYSA-N 0 1 321.359 3.593 50 0 DHAAMN Cc1occc1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000077426674 191714129 /nfs/dbraw/zinc/71/41/29/191714129.db2.gz HCGJBZCNSTXHBC-INIZCTEOSA-N 0 1 309.369 3.750 50 0 DHAAMN Cc1ccc2nc([C@H]3CC(=O)N(c4cccc(C)c4)C3)[nH]c2c1 ZINC000005818502 181286736 /nfs/dbraw/zinc/28/67/36/181286736.db2.gz WHQREXARRQGGNL-AWEZNQCLSA-N 0 1 305.381 3.700 50 0 DHAAMN Cc1ccc2nc([C@@H]3CC(=O)N(c4cccc(C)c4)C3)[nH]c2c1 ZINC000005818501 181287216 /nfs/dbraw/zinc/28/72/16/181287216.db2.gz WHQREXARRQGGNL-CQSZACIVSA-N 0 1 305.381 3.700 50 0 DHAAMN Clc1ccc(SCc2n[nH]c(-c3ccncc3)n2)cc1 ZINC000006472476 181343284 /nfs/dbraw/zinc/34/32/84/181343284.db2.gz HWONWQLQPGMRLG-UHFFFAOYSA-N 0 1 302.790 3.812 50 0 DHAAMN Clc1ccc(SCc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000006472476 181343289 /nfs/dbraw/zinc/34/32/89/181343289.db2.gz HWONWQLQPGMRLG-UHFFFAOYSA-N 0 1 302.790 3.812 50 0 DHAAMN COc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000006493796 181345877 /nfs/dbraw/zinc/34/58/77/181345877.db2.gz DRDGYCFFJKXYEA-UHFFFAOYSA-N 0 1 312.394 3.855 50 0 DHAAMN C[C@@H]1CN(Cc2cc(C3CCCCC3)no2)CC[C@@]1(O)C1CC1 ZINC000091486145 193062191 /nfs/dbraw/zinc/06/21/91/193062191.db2.gz MXUMUCSHBLBKFQ-KUHUBIRLSA-N 0 1 318.461 3.705 50 0 DHAAMN COc1ccccc1[C@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000012909032 181810044 /nfs/dbraw/zinc/81/00/44/181810044.db2.gz KHNWIUNHTKQBTG-HNNXBMFYSA-N 0 1 307.397 3.732 50 0 DHAAMN COc1ccc(-c2nnc([C@@H](C)N3CCC(C)CC3)o2)cc1 ZINC000015471043 182004303 /nfs/dbraw/zinc/00/43/03/182004303.db2.gz LDCZOMBMNRJIKE-CYBMUJFWSA-N 0 1 301.390 3.538 50 0 DHAAMN Cc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019781800 182147832 /nfs/dbraw/zinc/14/78/32/182147832.db2.gz MMVPYXCNKXAPRA-UHFFFAOYSA-N 0 1 314.860 3.966 50 0 DHAAMN Fc1ccccc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019781912 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CCn1c2ccccc2c(C)c1-c1cc(NC(=O)C2CC2)[nH]n1 ZINC000075558711 191490373 /nfs/dbraw/zinc/49/03/73/191490373.db2.gz QTKGTMXKJFIYFS-UHFFFAOYSA-N 0 1 308.385 3.708 50 0 DHAAMN CC(C)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000005046273 181196320 /nfs/dbraw/zinc/19/63/20/181196320.db2.gz ISUZMVIZAFVDGK-UHFFFAOYSA-N 0 1 308.425 3.520 50 0 DHAAMN Cn1c(=O)c2c3c(sc2[nH]c1=S)C[C@@H](C(C)(C)C)CC3 ZINC000005687073 181272089 /nfs/dbraw/zinc/27/20/89/181272089.db2.gz ANKXEPGUWATASL-QMMMGPOBSA-N 0 1 308.472 3.809 50 0 DHAAMN COc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1 ZINC000005911019 181295738 /nfs/dbraw/zinc/29/57/38/181295738.db2.gz CKVDIMZPHXNJCK-UHFFFAOYSA-N 0 1 311.410 3.724 50 0 DHAAMN Cc1nc(NC(=O)c2ccccc2)sc1CN1CCCCC1 ZINC000006187126 181318592 /nfs/dbraw/zinc/31/85/92/181318592.db2.gz PSRDLOLVJOQYHG-UHFFFAOYSA-N 0 1 315.442 3.690 50 0 DHAAMN CSc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000006623191 181362379 /nfs/dbraw/zinc/36/23/79/181362379.db2.gz YZGHQOWRHAZTSD-UHFFFAOYSA-N 0 1 313.831 3.863 50 0 DHAAMN 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/nfs/dbraw/zinc/27/28/25/193272825.db2.gz MMZYVFXHPZPQNB-UHFFFAOYSA-N 0 1 318.392 3.642 50 0 DHAAMN O=c1cc(-c2ccccc2)[nH]n1-c1cccc(C(F)(F)F)c1 ZINC000016478019 182046885 /nfs/dbraw/zinc/04/68/85/182046885.db2.gz FKJVRXKEYBBHHR-UHFFFAOYSA-N 0 1 304.271 3.851 50 0 DHAAMN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000017315968 182082925 /nfs/dbraw/zinc/08/29/25/182082925.db2.gz GSHGSVMVQTVQCW-NSHDSACASA-N 0 1 304.340 3.774 50 0 DHAAMN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000018066223 182091045 /nfs/dbraw/zinc/09/10/45/182091045.db2.gz CHDHODOILUJRNS-UHFFFAOYSA-N 0 1 324.409 3.511 50 0 DHAAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1Cl)NCC2 ZINC000020028884 182181378 /nfs/dbraw/zinc/18/13/78/182181378.db2.gz YMMCFCFPDSAPLT-QGZVFWFLSA-N 0 1 303.789 3.592 50 0 biogenic DHAAMN C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)C1 ZINC000020729168 182244214 /nfs/dbraw/zinc/24/42/14/182244214.db2.gz ZKVWTHGVYYKKBU-USBNGQNGSA-N 0 1 320.820 3.925 50 0 DHAAMN COc1ccc(OC)c(CN2CCC[C@@H]2c2c(C)noc2C)c1 ZINC000021720560 182286616 /nfs/dbraw/zinc/28/66/16/182286616.db2.gz VXGPVJOGZGGTRP-MRXNPFEDSA-N 0 1 316.401 3.646 50 0 DHAAMN C[C@@H](Cc1ccccc1F)N1CCN(Cc2ccccc2)CC1 ZINC000022455215 182322135 /nfs/dbraw/zinc/32/21/35/182322135.db2.gz WNBCBVCGVJPSDH-KRWDZBQOSA-N 0 1 312.432 3.575 50 0 DHAAMN CCCCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027583821 182481140 /nfs/dbraw/zinc/48/11/40/182481140.db2.gz GQKZJZYHULUBEW-MRXNPFEDSA-N 0 1 308.853 3.783 50 0 DHAAMN Cc1nc2ccc(NC(=O)c3cc4ccccc4n3C)cc2[nH]1 ZINC000040286698 183051326 /nfs/dbraw/zinc/05/13/26/183051326.db2.gz FVBYWBDQLABATG-UHFFFAOYSA-N 0 1 304.353 3.615 50 0 DHAAMN Cc1ccc(N(C)C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000040478378 183076197 /nfs/dbraw/zinc/07/61/97/183076197.db2.gz MVQJGIQAXOWKKS-UHFFFAOYSA-N 0 1 309.344 3.801 50 0 DHAAMN C[C@H]1Cc2ccccc2N1C(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000105673945 194118673 /nfs/dbraw/zinc/11/86/73/194118673.db2.gz MZHKJKBRTVVPNC-YWZLYKJASA-N 0 1 320.436 3.584 50 0 DHAAMN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000057412746 184037330 /nfs/dbraw/zinc/03/73/30/184037330.db2.gz IQIVXQYEKNWVMX-UHFFFAOYSA-N 0 1 323.327 3.671 50 0 DHAAMN CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)c1 ZINC000058160071 184081986 /nfs/dbraw/zinc/08/19/86/184081986.db2.gz DTMCRDYHTUVPJB-KGLIPLIRSA-N 0 1 310.397 3.567 50 0 DHAAMN c1c2ccccc2[nH]c1CNCc1cccc2c1OCCCO2 ZINC000058473646 184120077 /nfs/dbraw/zinc/12/00/77/184120077.db2.gz ANMJZNHCVVSVBO-UHFFFAOYSA-N 0 1 308.381 3.619 50 0 DHAAMN Cc1c(F)cccc1NC(=O)CN[C@H](C)c1cc(F)cc(F)c1 ZINC000065456220 184347578 /nfs/dbraw/zinc/34/75/78/184347578.db2.gz JRWOZAFHHOSTOC-LLVKDONJSA-N 0 1 322.330 3.702 50 0 DHAAMN Cc1ccc(-c2n[nH]c(SCc3nnsc3Cl)n2)cc1 ZINC000065553620 184365258 /nfs/dbraw/zinc/36/52/58/184365258.db2.gz JAXSVTOOMJLJLI-UHFFFAOYSA-N 0 1 323.834 3.577 50 0 DHAAMN COc1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)c(Cl)c1 ZINC000065921463 184382729 /nfs/dbraw/zinc/38/27/29/184382729.db2.gz PALCMZKUHGSIDL-UHFFFAOYSA-N 0 1 317.732 3.584 50 0 DHAAMN O[C@@]12CCCC[C@@H]1[C@H](c1c(Cl)cccc1Cl)NCC2 ZINC000043737534 257213535 /nfs/dbraw/zinc/21/35/35/257213535.db2.gz ADCRKOWUVHTZCP-VCTAVGKDSA-N 0 1 300.229 3.949 50 0 biogenic DHAAMN CCCCCc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 ZINC000004297057 431296362 /nfs/dbraw/zinc/29/63/62/431296362.db2.gz OVJWGQJFPZZYSG-UHFFFAOYSA-N 0 1 318.442 3.924 50 0 DHAAMN Cc1ccc(O)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000000407950 563252158 /nfs/dbraw/zinc/25/21/58/563252158.db2.gz FKQNWHYGFNYEFR-UHFFFAOYSA-N 0 1 313.378 3.655 50 0 DHAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000008558682 563347986 /nfs/dbraw/zinc/34/79/86/563347986.db2.gz PBIVVYLCPSRKBV-UHFFFAOYSA-N 0 1 315.373 3.741 50 0 DHAAMN O=C(c1cccc(Cl)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000012320313 563366523 /nfs/dbraw/zinc/36/65/23/563366523.db2.gz CBPIDFGANMEGKQ-MRXNPFEDSA-N 0 1 314.816 3.830 50 0 DHAAMN CCn1ncc(CN[C@@H](C)c2cnn(-c3ccccc3)c2C)c1C ZINC000012385760 563368463 /nfs/dbraw/zinc/36/84/63/563368463.db2.gz HPIMFHTYNVIJHB-AWEZNQCLSA-N 0 1 323.444 3.556 50 0 DHAAMN COc1ccc([C@H]2CCCN2Cc2c(C)noc2C)c(OC)c1 ZINC000032751530 563390264 /nfs/dbraw/zinc/39/02/64/563390264.db2.gz LYCTYTMDSVDXRJ-QGZVFWFLSA-N 0 1 316.401 3.646 50 0 DHAAMN CC(C)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1 ZINC000010928439 563419628 /nfs/dbraw/zinc/41/96/28/563419628.db2.gz QSOVXDWCNGLMLQ-UHFFFAOYSA-N 0 1 318.367 3.814 50 0 DHAAMN c1sc(-c2ncccn2)nc1CN1CC[C@@H](c2ccccc2)C1 ZINC000069894795 563420337 /nfs/dbraw/zinc/42/03/37/563420337.db2.gz DXSXYUOEBGQCOP-OAHLLOKOSA-N 0 1 322.437 3.590 50 0 DHAAMN CCN(Cc1ccc(Cl)s1)Cc1ccc(C(N)=O)cc1 ZINC000027359696 563428094 /nfs/dbraw/zinc/42/80/94/563428094.db2.gz YIROKJJPQRLTTI-UHFFFAOYSA-N 0 1 308.834 3.523 50 0 DHAAMN Cc1csc([C@@H]2CCCCN2C(=O)c2cnc(C(C)C)[nH]2)n1 ZINC000072300345 563440597 /nfs/dbraw/zinc/44/05/97/563440597.db2.gz LVDGKXCYWYWLIU-ZDUSSCGKSA-N 0 1 318.446 3.665 50 0 DHAAMN CO[C@@]1(C)C[C@@H](N(C)Cc2nc3ccccc3s2)C1(C)C ZINC000072305312 563444260 /nfs/dbraw/zinc/44/42/60/563444260.db2.gz HSTRWGMSSPVTFH-PBHICJAKSA-N 0 1 304.459 3.932 50 0 DHAAMN C[C@@H]1CN(CCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000020167235 563449095 /nfs/dbraw/zinc/44/90/95/563449095.db2.gz NHWONOABSYXUBC-IAGOWNOFSA-N 0 1 311.425 3.842 50 0 DHAAMN O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(F)cc1 ZINC000036359286 563454824 /nfs/dbraw/zinc/45/48/24/563454824.db2.gz DYDQGDKKECDJAS-UHFFFAOYSA-N 0 1 323.249 3.973 50 0 DHAAMN CC[C@H](CO)N(C/C=C/c1ccccc1OC)Cc1ccco1 ZINC000055211985 563472626 /nfs/dbraw/zinc/47/26/26/563472626.db2.gz AWGPQZNHGOXHSY-RCMYXZNBSA-N 0 1 315.413 3.575 50 0 DHAAMN CCOc1ccccc1C[N@@H+](CC)Cc1ccc(OC)c(O)c1 ZINC000055269540 563472631 /nfs/dbraw/zinc/47/26/31/563472631.db2.gz YGWJFYMJYXJVGD-UHFFFAOYSA-N 0 1 315.413 3.822 50 0 DHAAMN CCOc1ccccc1CN(CC)Cc1ccc(OC)c(O)c1 ZINC000055269540 563472632 /nfs/dbraw/zinc/47/26/32/563472632.db2.gz YGWJFYMJYXJVGD-UHFFFAOYSA-N 0 1 315.413 3.822 50 0 DHAAMN CC[N@@H+](C/C=C/c1ccccc1)Cc1ccc(O)c(C(=O)[O-])c1 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312.457 3.658 50 0 DHAAMN COc1ccc(-c2nnc([C@H](C)N3CCC[C@H](C)C3)o2)cc1 ZINC000036386125 563897535 /nfs/dbraw/zinc/89/75/35/563897535.db2.gz KNYRMWUXLFGZMI-STQMWFEESA-N 0 1 301.390 3.538 50 0 DHAAMN CC(C)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000006887636 563898806 /nfs/dbraw/zinc/89/88/06/563898806.db2.gz SNBKTQYGNJYWNM-UHFFFAOYSA-N 0 1 312.236 3.982 50 0 DHAAMN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCC(C)CC1 ZINC000007389328 563905771 /nfs/dbraw/zinc/90/57/71/563905771.db2.gz CURFKFXQVWNFHH-LBPRGKRZSA-N 0 1 314.351 3.764 50 0 DHAAMN Cc1cccc(N2CCN(CCOc3cc(C)ccc3C)CC2)c1 ZINC000089672767 563910883 /nfs/dbraw/zinc/91/08/83/563910883.db2.gz OYWPRXIFXGEQAF-UHFFFAOYSA-N 0 1 324.468 3.813 50 0 DHAAMN Cc1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cc2n[nH]cc21 ZINC000347546637 563913899 /nfs/dbraw/zinc/91/38/99/563913899.db2.gz RVPGFQPUCYDYDI-UHFFFAOYSA-N 0 1 317.352 3.514 50 0 DHAAMN Fc1cccc(Cl)c1CSc1nc(-c2ccccn2)n[nH]1 ZINC000078768235 563929839 /nfs/dbraw/zinc/92/98/39/563929839.db2.gz WDUGVMUPBZQQFV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/94/00/29/563940029.db2.gz DXTZDLYTDBVPHR-IVCRCZCHSA-N 0 1 303.402 3.621 50 0 DHAAMN CCN(c1ccc(NC(=O)CN2CCCCCC2)cc1)C(C)C ZINC000002641369 563940136 /nfs/dbraw/zinc/94/01/36/563940136.db2.gz BBAIWQWTKDPXEB-UHFFFAOYSA-N 0 1 317.477 3.736 50 0 DHAAMN Fc1cc(CN2CCC[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230090087 563941670 /nfs/dbraw/zinc/94/16/70/563941670.db2.gz FWDWJYVLLCCLDI-CXAGYDPISA-N 0 1 305.393 3.847 50 0 DHAAMN CC(C)=CCC[C@H](C)CCN1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000230289388 563942228 /nfs/dbraw/zinc/94/22/28/563942228.db2.gz QBNWOOBCEQVTKT-HKUYNNGSSA-N 0 1 319.493 3.740 50 0 DHAAMN CCc1cc2c(C[NH2+][C@H](C)c3ccccc3)cc(=O)oc2cc1[O-] ZINC000057886704 563943145 /nfs/dbraw/zinc/94/31/45/563943145.db2.gz WGCRXLOGKOQKTC-CYBMUJFWSA-N 0 1 323.392 3.912 50 0 DHAAMN CC1(C)C[C@@H](c2n[nH]c(Cc3cccc(Cl)c3)n2)CCO1 ZINC000670453435 563944608 /nfs/dbraw/zinc/94/46/08/563944608.db2.gz ZEFPOUKWCURGDX-LBPRGKRZSA-N 0 1 305.809 3.722 50 0 DHAAMN CC1(C)C[C@@H](c2nc(Cc3cccc(Cl)c3)n[nH]2)CCO1 ZINC000670453435 563944609 /nfs/dbraw/zinc/94/46/09/563944609.db2.gz ZEFPOUKWCURGDX-LBPRGKRZSA-N 0 1 305.809 3.722 50 0 DHAAMN CCOc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008267415 563947401 /nfs/dbraw/zinc/94/74/01/563947401.db2.gz WLKDIYJMYUEKKD-JKSUJKDBSA-N 0 1 316.445 3.536 50 0 DHAAMN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000263580253 563948182 /nfs/dbraw/zinc/94/81/82/563948182.db2.gz VSTKDVVBVNFOOP-AWEZNQCLSA-N 0 1 302.399 3.569 50 0 DHAAMN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000263580253 563948183 /nfs/dbraw/zinc/94/81/83/563948183.db2.gz VSTKDVVBVNFOOP-AWEZNQCLSA-N 0 1 302.399 3.569 50 0 DHAAMN COCc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCCC1 ZINC000068320271 563951132 /nfs/dbraw/zinc/95/11/32/563951132.db2.gz MVLLYSFAGDMQCQ-IBGZPJMESA-N 0 1 324.424 3.609 50 0 DHAAMN C[C@@H](NCc1csc(-c2cccs2)n1)[C@H](C)n1cccn1 ZINC000069442844 563952891 /nfs/dbraw/zinc/95/28/91/563952891.db2.gz ZLGVPEIKEWLYQU-NEPJUHHUSA-N 0 1 318.471 3.807 50 0 DHAAMN C[C@@H](NC(=O)c1cn[nH]c1-c1cccs1)c1ccc(F)cc1 ZINC000071115996 563957738 /nfs/dbraw/zinc/95/77/38/563957738.db2.gz JXKMHWJEZFDPBJ-SNVBAGLBSA-N 0 1 315.373 3.768 50 0 DHAAMN