smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN(C)c1nc(N(C)C)nc2c1CCN(Cc1ccccc1)C2 ZINC000012325500 539555259 /nfs/dbraw/zinc/55/52/59/539555259.db2.gz FMOPPKAPJSVOJP-UHFFFAOYSA-N 0 3 368.529 2.099 40 0 FEABHN Cc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019209490 539652726 /nfs/dbraw/zinc/65/27/26/539652726.db2.gz GUNWCTGUTRIGEX-QGZVFWFLSA-N 0 3 350.466 2.379 40 0 FEABHN COc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)ccc1OC(F)F ZINC000019286430 539653228 /nfs/dbraw/zinc/65/32/28/539653228.db2.gz NANRUDGMPVSYJV-UHFFFAOYSA-N 0 3 365.380 2.289 40 0 FEABHN COc1ccc(N2C[C@H](C(=O)NC(C)(C)CN3CCCCC3)CC2=O)cc1 ZINC000019084914 539651234 /nfs/dbraw/zinc/65/12/34/539651234.db2.gz AEZGKIBBESIGBX-MRXNPFEDSA-N 0 3 373.497 2.429 40 0 FEABHN C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019078840 539651435 /nfs/dbraw/zinc/65/14/35/539651435.db2.gz OHJRNECISALXGE-DYVFJYSZSA-N 0 3 370.428 2.392 40 0 FEABHN C[C@@H](CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 ZINC000019455329 539657663 /nfs/dbraw/zinc/65/76/63/539657663.db2.gz STXWLTPUALOHSZ-YJBOKZPZSA-N 0 3 368.485 2.366 40 0 FEABHN C[C@@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019496492 539658705 /nfs/dbraw/zinc/65/87/05/539658705.db2.gz UESQDFYMSNYBDQ-IAGOWNOFSA-N 0 3 372.513 2.018 40 0 FEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n1 ZINC000019572972 539662137 /nfs/dbraw/zinc/66/21/37/539662137.db2.gz YUAQQNHDHZQIGH-CRAIPNDOSA-N 0 3 368.485 2.250 40 0 FEABHN Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2nnc3n2CCNCC3)cc1 ZINC000019706388 539666097 /nfs/dbraw/zinc/66/60/97/539666097.db2.gz MMADFELJYYZXTL-QGZVFWFLSA-N 0 3 367.497 2.374 40 0 FEABHN O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944327 539894348 /nfs/dbraw/zinc/89/43/48/539894348.db2.gz KRLGCSCAYUSCFJ-QGZVFWFLSA-N 0 3 365.905 2.000 40 0 FEABHN Cc1cc(Nc2cc([C@H]3CCCN3C(=O)[C@H]3CCCCN3)nc(C)n2)n[nH]1 ZINC000072361488 541802067 /nfs/dbraw/zinc/80/20/67/541802067.db2.gz WEVCWGVPYOMIAT-GDBMZVCRSA-N 0 3 369.473 2.366 40 0 FEABHN Cc1ccc2c(c1)CN(C(=O)[C@@H](N)c1ccccc1)[C@H](CN(C)C)CO2 ZINC000072395244 541803890 /nfs/dbraw/zinc/80/38/90/541803890.db2.gz QCKSAKOZTZDKTA-QUCCMNQESA-N 0 3 353.466 2.346 40 0 FEABHN Cc1ccccc1CNc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329056728 203848923 /nfs/dbraw/zinc/84/89/23/203848923.db2.gz VUDAVRZERFHJLA-UHFFFAOYSA-N 0 3 353.392 2.233 40 0 FEABHN COCCn1nnnc1[C@H](CC(C)C)N1CCN(C2CCCCC2)CC1 ZINC000019446862 206325734 /nfs/dbraw/zinc/32/57/34/206325734.db2.gz HXFZQIJIHSVIQW-SFHVURJKSA-N 0 3 364.538 2.357 40 0 FEABHN Cc1ccoc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 ZINC000096039553 542988481 /nfs/dbraw/zinc/98/84/81/542988481.db2.gz UNVCUNIJZAQXAC-QFBILLFUSA-N 0 3 350.459 2.178 40 0 FEABHN COCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccccc3F)C2)O1 ZINC000096216459 542995893 /nfs/dbraw/zinc/99/58/93/542995893.db2.gz ZJWXVTYPDWPUBW-QFBILLFUSA-N 0 3 350.434 2.102 40 0 FEABHN O=C(C[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)NCc1cccnc1 ZINC000096208436 542996018 /nfs/dbraw/zinc/99/60/18/542996018.db2.gz QNIPDGDCYSLQLV-LZLYRXPVSA-N 0 3 357.479 2.439 40 0 FEABHN O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050780 542989447 /nfs/dbraw/zinc/98/94/47/542989447.db2.gz CYLYVVAGTRHAQB-HXUWFJFHSA-N 0 3 351.406 2.439 40 0 FEABHN COc1ccc(CN2CCC3(CC2)[C@@H](c2cnn(C)c2)CC(=O)N3C)cc1 ZINC000096061525 542990406 /nfs/dbraw/zinc/99/04/06/542990406.db2.gz IZHVRKRWQAODFG-LJQANCHMSA-N 0 3 368.481 2.409 40 0 FEABHN NC[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242547844 548886886 /nfs/dbraw/zinc/88/68/86/548886886.db2.gz KVNGUSYHLWIQQR-XHSDSOJGSA-N 0 3 354.834 2.075 40 0 FEABHN Cn1cc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000248101824 549407398 /nfs/dbraw/zinc/40/73/98/549407398.db2.gz DYNHYPXGSFAQGI-PMACEKPBSA-N 0 3 356.470 2.403 40 0 FEABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000252516196 549672249 /nfs/dbraw/zinc/67/22/49/549672249.db2.gz QMKUWWLTFYZCKQ-ZACQAIPSSA-N 0 3 369.845 2.356 40 0 FEABHN O=C(CCc1ccccc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257226364 549719585 /nfs/dbraw/zinc/71/95/85/549719585.db2.gz FKIVBIFWYXSEFG-GOSISDBHSA-N 0 3 352.425 2.314 40 0 FEABHN CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3cccnc3)[C@@H]2C1 ZINC000257267736 549723387 /nfs/dbraw/zinc/72/33/87/549723387.db2.gz MIOPKNXCFQTCCM-CBPXPLCBSA-N 0 3 365.477 2.279 40 0 FEABHN C[C@]1(O)CN(Cc2ccc(OCCO)cc2)CC[C@@H]1Oc1ccccc1 ZINC000257290025 549725442 /nfs/dbraw/zinc/72/54/42/549725442.db2.gz QBENGPAWTVUWMI-SFTDATJTSA-N 0 3 357.450 2.462 40 0 FEABHN Cc1cc(N)cc([C@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 ZINC000257289977 549725481 /nfs/dbraw/zinc/72/54/81/549725481.db2.gz QAZHTHBDDSQZEF-OAHLLOKOSA-N 0 3 359.430 2.011 40 0 FEABHN CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 ZINC000257328623 549728976 /nfs/dbraw/zinc/72/89/76/549728976.db2.gz XGLMNYBYZQSHEL-ZDUSSCGKSA-N 0 3 360.487 2.219 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306124367 553748354 /nfs/dbraw/zinc/74/83/54/553748354.db2.gz BNPLARKLEQLRQW-UONOGXRCSA-N 0 3 371.872 2.128 40 0 FEABHN Cc1ccccc1CNc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329069942 553874897 /nfs/dbraw/zinc/87/48/97/553874897.db2.gz ZBNRYRMFLGZUFN-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cn1 ZINC000585099823 571221963 /nfs/dbraw/zinc/22/19/63/571221963.db2.gz CZURMTBYVSKEDG-AZUAARDMSA-N 0 3 360.502 2.429 40 0 FEABHN Cc1cccc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585105139 571224284 /nfs/dbraw/zinc/22/42/84/571224284.db2.gz ZEHCNKDCUHXQEF-VQTJNVASSA-N 0 3 372.509 2.463 40 0 FEABHN CCOC(=O)c1c2ccc(CNCCOC=O)cc2sc1NC(C)=O ZINC000009943043 539509530 /nfs/dbraw/zinc/50/95/30/539509530.db2.gz VWLQKGIIZPPQSA-UHFFFAOYSA-N 0 3 364.423 2.299 40 0 FEABHN CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC[C@@H](O)C2)C1 ZINC000019016953 539650446 /nfs/dbraw/zinc/65/04/46/539650446.db2.gz VGDHYFVFBYCOHX-HZPDHXFCSA-N 0 3 356.470 2.246 40 0 FEABHN Cc1ccsc1C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019238633 539653865 /nfs/dbraw/zinc/65/38/65/539653865.db2.gz OJPMARISDAMWOM-OAHLLOKOSA-N 0 3 374.510 2.356 40 0 FEABHN Cc1ccsc1C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019238633 539653867 /nfs/dbraw/zinc/65/38/67/539653867.db2.gz OJPMARISDAMWOM-OAHLLOKOSA-N 0 3 374.510 2.356 40 0 FEABHN CCc1[nH]nc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1C ZINC000019520923 539658900 /nfs/dbraw/zinc/65/89/00/539658900.db2.gz STVGVVGKZXGHPQ-UHFFFAOYSA-N 0 3 368.485 2.078 40 0 FEABHN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019532941 539659365 /nfs/dbraw/zinc/65/93/65/539659365.db2.gz OPNBOPCKFRPHOM-LJQANCHMSA-N 0 3 366.465 2.427 40 0 FEABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)no1 ZINC000019593537 539663042 /nfs/dbraw/zinc/66/30/42/539663042.db2.gz YUYMTFKHNWCCOX-INIZCTEOSA-N 0 3 373.453 2.439 40 0 FEABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(CCc2ccccc2)CC3)C1 ZINC000019709530 539666321 /nfs/dbraw/zinc/66/63/21/539666321.db2.gz PNMIBIIPFXHQAQ-IBGZPJMESA-N 0 3 367.497 2.105 40 0 FEABHN CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)c1nonc1N ZINC000019589158 539663508 /nfs/dbraw/zinc/66/35/08/539663508.db2.gz WOAOABSXQAGZCF-BFYDXBDKSA-N 0 3 355.442 2.134 40 0 FEABHN COc1cccc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1 ZINC000019588333 539663628 /nfs/dbraw/zinc/66/36/28/539663628.db2.gz FMFLGFWZLDPNQR-UHFFFAOYSA-N 0 3 366.465 2.493 40 0 FEABHN Cn1cc(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cn1 ZINC000019715502 539667078 /nfs/dbraw/zinc/66/70/78/539667078.db2.gz KAIYJOWMNMWRQR-CYBMUJFWSA-N 0 3 370.432 2.329 40 0 FEABHN CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 ZINC000072347648 541801398 /nfs/dbraw/zinc/80/13/98/541801398.db2.gz QCVTZLFJYUZZDY-KRWDZBQOSA-N 0 3 369.513 2.390 40 0 FEABHN Cc1ncsc1CN1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000108533773 206034253 /nfs/dbraw/zinc/03/42/53/206034253.db2.gz AGJCKXRJOVCAJU-AWEZNQCLSA-N 0 3 352.504 2.236 40 0 FEABHN Cn1cncc1CN1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)CC1 ZINC000108532503 206034374 /nfs/dbraw/zinc/03/43/74/206034374.db2.gz DQGBIINGZJBVBO-FQEVSTJZSA-N 0 3 353.470 2.220 40 0 FEABHN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 ZINC000015935469 206317181 /nfs/dbraw/zinc/31/71/81/206317181.db2.gz ZPOTYOQHBZRNLI-UHFFFAOYSA-N 0 3 365.499 2.284 40 0 FEABHN NCC1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218549558 206371934 /nfs/dbraw/zinc/37/19/34/206371934.db2.gz RSMHNGGAKPYTCE-JKSUJKDBSA-N 0 3 368.861 2.323 40 0 FEABHN COc1cc2c(cc1OC)CN(c1cc(NCCN(C)C)ncn1)CC2 ZINC000243824738 132249939 /nfs/dbraw/zinc/24/99/39/132249939.db2.gz QWNVOEZNDOXAIR-UHFFFAOYSA-N 0 3 357.458 2.030 40 0 FEABHN COc1cccc(CN2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108128 542992228 /nfs/dbraw/zinc/99/22/28/542992228.db2.gz ZBXGEPHGWDSXHY-PZJWPPBQSA-N 0 3 353.466 2.423 40 0 FEABHN CN1C[C@@H](COCc2ccccn2)[C@]2(CCN(C(=O)c3ccco3)C2)C1 ZINC000096218790 542996458 /nfs/dbraw/zinc/99/64/58/542996458.db2.gz GVYQGCKPJIRXMG-OXJNMPFZSA-N 0 3 355.438 2.285 40 0 FEABHN Cc1nnc(NC[C@H]2CO[C@]3(C2)COCCN(Cc2ccccc2)C3)o1 ZINC000096240591 542996780 /nfs/dbraw/zinc/99/67/80/542996780.db2.gz LFMSMGHBGWJXEK-HKUYNNGSSA-N 0 3 358.442 2.098 40 0 FEABHN COCCN1CCc2cc(C(=O)NC(C)C)c(NCC(C)C)nc2CC1 ZINC000096260532 542997901 /nfs/dbraw/zinc/99/79/01/542997901.db2.gz SQSCLXPQHITTRZ-UHFFFAOYSA-N 0 3 362.518 2.335 40 0 FEABHN O=C(N[C@@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1ccc[nH]1 ZINC000096079884 542990112 /nfs/dbraw/zinc/99/01/12/542990112.db2.gz KDXJLHJGYOSELZ-QGZVFWFLSA-N 0 3 355.438 2.095 40 0 FEABHN C[C@H](N)C(=O)N(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 ZINC000079393216 524816967 /nfs/dbraw/zinc/81/69/67/524816967.db2.gz ZHXNMFNDZAAJOX-HNNXBMFYSA-N 0 3 359.470 2.373 40 0 FEABHN CCN(CC)Cc1nc(C2(O)CCN(C3CCN(C)CC3)CC2)cs1 ZINC000225463116 548735633 /nfs/dbraw/zinc/73/56/33/548735633.db2.gz YAKMDGUGEIRSJK-UHFFFAOYSA-N 0 3 366.575 2.363 40 0 biogenic,in-vitro FEABHN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 ZINC000257199791 549716980 /nfs/dbraw/zinc/71/69/80/549716980.db2.gz AAVIZHPSLKFIEF-KRWDZBQOSA-N 0 3 355.486 2.416 40 0 FEABHN CNc1ncccc1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257217771 549718446 /nfs/dbraw/zinc/71/84/46/549718446.db2.gz DANWLNCXERKNIU-UHFFFAOYSA-N 0 3 354.502 2.430 40 0 FEABHN C[C@@]1(O)CCN(Cc2cccc(OCCO)c2)C[C@H]1Oc1ccccc1 ZINC000257213543 549719161 /nfs/dbraw/zinc/71/91/61/549719161.db2.gz CIAKIZBIGFEFRV-NHCUHLMSSA-N 0 3 357.450 2.462 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 ZINC000257247005 549720944 /nfs/dbraw/zinc/72/09/44/549720944.db2.gz IWXVZIFVBBHOBT-JFIYKMOQSA-N 0 3 372.513 2.376 40 0 FEABHN Cc1cn(C)c([C@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 ZINC000257251446 549721850 /nfs/dbraw/zinc/72/18/50/549721850.db2.gz JQUJAUHUJAMBTK-SFHVURJKSA-N 0 3 355.486 2.352 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000257283820 549724303 /nfs/dbraw/zinc/72/43/03/549724303.db2.gz OZYUYSUGRBMMSU-WBVHZDCISA-N 0 3 351.878 2.317 40 0 FEABHN CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCCN2C)cn1 ZINC000257294523 549725715 /nfs/dbraw/zinc/72/57/15/549725715.db2.gz QUNWIXAHHSFMBD-KRWDZBQOSA-N 0 3 355.486 2.148 40 0 FEABHN c1ncc(CN2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)[nH]1 ZINC000257312531 549726311 /nfs/dbraw/zinc/72/63/11/549726311.db2.gz UOKAJHDCEGUEGC-AWEZNQCLSA-N 0 3 350.430 2.188 40 0 FEABHN CN(C)Cc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCCN2C)c1 ZINC000257317388 549727808 /nfs/dbraw/zinc/72/78/08/549727808.db2.gz VJOSUKSORMIBCF-KRWDZBQOSA-N 0 3 355.486 2.148 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1OC ZINC000257342720 549728905 /nfs/dbraw/zinc/72/89/05/549728905.db2.gz ZPWFSFOEBHGKNX-XLIONFOSSA-N 0 3 373.497 2.207 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@H]1C2 ZINC000306124411 553748098 /nfs/dbraw/zinc/74/80/98/553748098.db2.gz BPEYMVBNGMGNCZ-HUUCEWRRSA-N 0 3 369.444 2.004 40 0 FEABHN O=C(NC[C@@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)C1CC(F)(F)C1 ZINC000306123488 553748224 /nfs/dbraw/zinc/74/82/24/553748224.db2.gz AOTMVPQOQYUENS-BPLDGKMQSA-N 0 3 356.438 2.356 40 0 FEABHN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333302543 554600680 /nfs/dbraw/zinc/60/06/80/554600680.db2.gz QGEFGPVOVNMMCH-XJTZBENFSA-N 0 3 356.397 2.307 40 0 FEABHN OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCCCCC1 ZINC000585286005 570494687 /nfs/dbraw/zinc/49/46/87/570494687.db2.gz GNCXHJBDVAIHQF-FQEVSTJZSA-N 0 3 367.461 2.353 40 0 FEABHN COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CN3CCC(C)C)C2)c1 ZINC000585107987 571225112 /nfs/dbraw/zinc/22/51/12/571225112.db2.gz QHMAYYIEARWFPT-QAPCUYQASA-N 0 3 352.500 2.436 40 0 FEABHN CN(C)c1nc([C@H]2CCN(C(=O)C3CCN(C)CC3)C2)cn2cccc12 ZINC000585182569 571238358 /nfs/dbraw/zinc/23/83/58/571238358.db2.gz SNJZNGLTZYESAQ-INIZCTEOSA-N 0 3 355.486 2.058 40 0 FEABHN CCCn1nc(CC(=O)N(C)CCN2CCCCC2)c2ccccc2c1=O ZINC000012238146 539551475 /nfs/dbraw/zinc/55/14/75/539551475.db2.gz YFWZZQGCTZJCHG-UHFFFAOYSA-N 0 3 370.497 2.293 40 0 FEABHN Cc1cccc(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c1 ZINC000019234804 539653024 /nfs/dbraw/zinc/65/30/24/539653024.db2.gz PDAJDLSDIUSNKP-KRWDZBQOSA-N 0 3 350.466 2.332 40 0 FEABHN O=c1c(CN2C[C@@H]3CCCN3C[C@@H]2CCO)coc2ccc(Cl)cc12 ZINC000019345964 539655870 /nfs/dbraw/zinc/65/58/70/539655870.db2.gz BYJHPQROYMJSIS-HOTGVXAUSA-N 0 3 362.857 2.477 40 0 FEABHN COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019564430 539660760 /nfs/dbraw/zinc/66/07/60/539660760.db2.gz PRBYFCKMKWGGHK-SFHVURJKSA-N 0 3 352.438 2.037 40 0 FEABHN COc1cccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019564247 539661104 /nfs/dbraw/zinc/66/11/04/539661104.db2.gz BKRCRIFNGFRGGR-MRXNPFEDSA-N 0 3 366.465 2.080 40 0 FEABHN C=Cn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C ZINC000019554391 539661195 /nfs/dbraw/zinc/66/11/95/539661195.db2.gz UDJHKXNPDSNIHX-PCCBWWKXSA-N 0 3 352.482 2.154 40 0 FEABHN COc1cccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019564251 539661268 /nfs/dbraw/zinc/66/12/68/539661268.db2.gz BKRCRIFNGFRGGR-INIZCTEOSA-N 0 3 366.465 2.080 40 0 FEABHN Cc1nccn1-c1cccc(C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000072379222 541803526 /nfs/dbraw/zinc/80/35/26/541803526.db2.gz OHRICTUJXOCLGD-UHFFFAOYSA-N 0 3 353.470 2.378 40 0 FEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)CC3CCCC3)C2)c2nccnc21 ZINC000072391694 541804245 /nfs/dbraw/zinc/80/42/45/541804245.db2.gz RKMDLPYJBIUFGC-MRXNPFEDSA-N 0 3 370.501 2.284 40 0 FEABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1OC ZINC000007728844 204304630 /nfs/dbraw/zinc/30/46/30/204304630.db2.gz XFSQGWSMOSOEGL-UHFFFAOYSA-N 0 3 356.488 2.104 40 0 FEABHN Cc1ncsc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)CC1 ZINC000108525981 206032768 /nfs/dbraw/zinc/03/27/68/206032768.db2.gz YCAAEQOXZJRRAF-UHFFFAOYSA-N 0 3 355.529 2.278 40 0 FEABHN NCC1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218549359 206371651 /nfs/dbraw/zinc/37/16/51/206371651.db2.gz RSMHNGGAKPYTCE-CVEARBPZSA-N 0 3 368.861 2.323 40 0 FEABHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096158697 542994369 /nfs/dbraw/zinc/99/43/69/542994369.db2.gz RPKZARFCBKLXJH-IBGZPJMESA-N 0 3 355.486 2.071 40 0 FEABHN CN(Cc1ccccn1)[C@@H]1CO[C@]2(C1)CCCN(Cc1cncn1C)C2 ZINC000096223488 542996384 /nfs/dbraw/zinc/99/63/84/542996384.db2.gz ZRMVIBAWNBUBOS-ICSRJNTNSA-N 0 3 355.486 2.071 40 0 FEABHN COc1ccc(CN2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243985 542996825 /nfs/dbraw/zinc/99/68/25/542996825.db2.gz CKYJNYVVKFXLEU-FQEVSTJZSA-N 0 3 354.454 2.225 40 0 FEABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245440 542997109 /nfs/dbraw/zinc/99/71/09/542997109.db2.gz YTPNYQLNUVYSTH-GJZGRUSLSA-N 0 3 350.846 2.183 40 0 FEABHN CCN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)c1ccccc1O2 ZINC000096079758 542990443 /nfs/dbraw/zinc/99/04/43/542990443.db2.gz QUMJCAQMKQLAAQ-INIZCTEOSA-N 0 3 350.484 2.447 40 0 FEABHN CC(=O)N1CCC[C@@H]1c1cncc(CN2CCN(C3CCCC3)CC2)n1 ZINC000257212369 549718592 /nfs/dbraw/zinc/71/85/92/549718592.db2.gz CDBOLQWIAANKCV-HXUWFJFHSA-N 0 3 357.502 2.220 40 0 FEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2cc[nH]n2)CC1 ZINC000257217801 549719236 /nfs/dbraw/zinc/71/92/36/549719236.db2.gz DAQZARPXNACNKN-LJQANCHMSA-N 0 3 360.433 2.038 40 0 FEABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)c1 ZINC000257311645 549726433 /nfs/dbraw/zinc/72/64/33/549726433.db2.gz UKLJEPZTVLLXFB-GOSISDBHSA-N 0 3 355.394 2.374 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1cccc(Cl)c1 ZINC000257334379 549728633 /nfs/dbraw/zinc/72/86/33/549728633.db2.gz YFQQWLUAKZLMRY-AEFFLSMTSA-N 0 3 363.889 2.462 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306139545 553750640 /nfs/dbraw/zinc/75/06/40/553750640.db2.gz SZXPFBZTWYDZKO-GJZGRUSLSA-N 0 3 363.421 2.428 40 0 FEABHN Cc1nc(C(=O)NC[C@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)cs1 ZINC000306142101 553750991 /nfs/dbraw/zinc/75/09/91/553750991.db2.gz WPMOWNKTWZIFRD-JGGQBBKZSA-N 0 3 363.508 2.390 40 0 FEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382288 568286924 /nfs/dbraw/zinc/28/69/24/568286924.db2.gz NHEHVGGNMCBRAG-UAFMIMERSA-N 0 3 371.456 2.183 40 0 biogenic,in-vitro FEABHN O[C@]1(CNCc2ccc(OCCF)cc2)CCN(c2ccc(F)cn2)C1 ZINC000585270165 570484984 /nfs/dbraw/zinc/48/49/84/570484984.db2.gz HLZKPUGKTULXSD-IBGZPJMESA-N 0 3 363.408 2.300 40 0 FEABHN Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585292935 570496882 /nfs/dbraw/zinc/49/68/82/570496882.db2.gz UJRNZMXBOXFBRS-NNTXTVRGSA-N 0 3 372.498 2.419 40 0 FEABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NCc2cccnc2)C1 ZINC000503844436 570638075 /nfs/dbraw/zinc/63/80/75/570638075.db2.gz WGLWXJAFGZPALI-AZUAARDMSA-N 0 3 353.470 2.124 40 0 FEABHN CN(C)CCN(C)c1nc(N(C)C)nc2c1CN(Cc1ccccc1)CC2 ZINC000012183348 539548446 /nfs/dbraw/zinc/54/84/46/539548446.db2.gz XQXYTVXIJSCFAR-UHFFFAOYSA-N 0 3 368.529 2.099 40 0 FEABHN COc1cccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012292526 539552307 /nfs/dbraw/zinc/55/23/07/539552307.db2.gz QSFGKCLXUWABLL-GOSISDBHSA-N 0 3 371.433 2.441 40 0 FEABHN O=C(COc1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019335753 539655165 /nfs/dbraw/zinc/65/51/65/539655165.db2.gz UMWRSXQEYJCJPJ-QGZVFWFLSA-N 0 3 356.401 2.004 40 0 FEABHN Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019583814 539661879 /nfs/dbraw/zinc/66/18/79/539661879.db2.gz ZYRUFEVCSQHGRR-INIZCTEOSA-N 0 3 370.501 2.182 40 0 FEABHN Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019583814 539661884 /nfs/dbraw/zinc/66/18/84/539661884.db2.gz ZYRUFEVCSQHGRR-INIZCTEOSA-N 0 3 370.501 2.182 40 0 FEABHN CN(C)c1cccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019585039 539662159 /nfs/dbraw/zinc/66/21/59/539662159.db2.gz AWOBJCHRUNJUQG-SFHVURJKSA-N 0 3 351.454 2.166 40 0 FEABHN NC(=O)c1c(NC(=O)CNCCc2ccccc2)sc2c1CCCC2 ZINC000035314854 539980801 /nfs/dbraw/zinc/98/08/01/539980801.db2.gz CLCWQRKZDMVIAM-UHFFFAOYSA-N 0 3 357.479 2.497 40 0 FEABHN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@]21c2cccc(C)c2NC1=O ZINC000035877118 539984604 /nfs/dbraw/zinc/98/46/04/539984604.db2.gz YHJBFALZYUQLJS-FUZBQXNDSA-N 0 3 369.465 2.170 40 0 FEABHN CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 ZINC000008298418 291048750 /nfs/dbraw/zinc/04/87/50/291048750.db2.gz UYRCHTYFXSTMNQ-MJBXVCDLSA-N 0 3 374.514 2.381 40 0 biogenic,in-vitro FEABHN COc1ccc(OC)c([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000038541246 205042139 /nfs/dbraw/zinc/04/21/39/205042139.db2.gz OQIIVSXXNYALGJ-BBRMVZONSA-N 0 3 365.474 2.303 40 0 FEABHN CN(C)CCn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O ZINC000040398059 205069135 /nfs/dbraw/zinc/06/91/35/205069135.db2.gz YQVXTRQSVVWQGH-UHFFFAOYSA-N 0 3 368.828 2.321 40 0 FEABHN Cc1ccc(F)cc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000108528765 206031930 /nfs/dbraw/zinc/03/19/30/206031930.db2.gz ACQHBQYWZJXPOU-KRWDZBQOSA-N 0 3 370.490 2.197 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218588474 206371840 /nfs/dbraw/zinc/37/18/40/206371840.db2.gz LFLHUJWIIGKJIL-XEZPLFJOSA-N 0 3 374.890 2.073 40 0 FEABHN NC[C@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218608334 206372248 /nfs/dbraw/zinc/37/22/48/206372248.db2.gz QMKUWWLTFYZCKQ-ULQDDVLXSA-N 0 3 369.845 2.356 40 0 FEABHN O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(Cc3ccccn3)C[C@@H]21 ZINC000096043484 542989236 /nfs/dbraw/zinc/98/92/36/542989236.db2.gz GEQVMUFCRNOSIV-GUDVDZBRSA-N 0 3 355.438 2.218 40 0 FEABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1cccs1)C2 ZINC000096039755 542988474 /nfs/dbraw/zinc/98/84/74/542988474.db2.gz RUSLCUHAPSHNIG-FUHWJXTLSA-N 0 3 352.500 2.224 40 0 FEABHN COCCNC(=O)[C@@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096111126 542992192 /nfs/dbraw/zinc/99/21/92/542992192.db2.gz OMGBKPBETHAEOE-KRWDZBQOSA-N 0 3 350.434 2.102 40 0 FEABHN COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1 ZINC000096206594 542995120 /nfs/dbraw/zinc/99/51/20/542995120.db2.gz QFDAJERANCJLQC-IEBWSBKVSA-N 0 3 350.434 2.102 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)o1 ZINC000096243640 542996745 /nfs/dbraw/zinc/99/67/45/542996745.db2.gz GOURRRNXWZKGCM-KRWDZBQOSA-N 0 3 372.469 2.199 40 0 FEABHN COCCN1CCC2(CC1)C[C@@H](NC(=O)c1cnc[nH]1)c1ccccc1O2 ZINC000096079795 542990466 /nfs/dbraw/zinc/99/04/66/542990466.db2.gz XBQAYHLURSIAMX-MRXNPFEDSA-N 0 3 370.453 2.144 40 0 FEABHN COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1ccnn1C)CC2 ZINC000248072059 549404538 /nfs/dbraw/zinc/40/45/38/549404538.db2.gz XXYJRMJFCFIORR-INIZCTEOSA-N 0 3 372.469 2.014 40 0 FEABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 ZINC000248118120 549407215 /nfs/dbraw/zinc/40/72/15/549407215.db2.gz MFGREFXBVQGPRC-FXAWDEMLSA-N 0 3 357.454 2.120 40 0 FEABHN CN(C)c1nc([C@H]2CCCCN2CC2(O)CCOCC2)cn2cccc12 ZINC000257259919 549722138 /nfs/dbraw/zinc/72/21/38/549722138.db2.gz LAQYKWZSOVZLDZ-QGZVFWFLSA-N 0 3 358.486 2.469 40 0 FEABHN COc1ccc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257302601 549725236 /nfs/dbraw/zinc/72/52/36/549725236.db2.gz SDNJVBADWYXDOA-KRWDZBQOSA-N 0 3 354.397 2.003 40 0 FEABHN Cc1nc(C[C@H]2CCCN(Cc3ccccn3)C2)cc(C(=O)N(C)C)n1 ZINC000257288808 549725290 /nfs/dbraw/zinc/72/52/90/549725290.db2.gz PVUNPWVUODYBQJ-MRXNPFEDSA-N 0 3 353.470 2.337 40 0 FEABHN Cc1n[nH]cc1CN1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 ZINC000257324348 549727698 /nfs/dbraw/zinc/72/76/98/549727698.db2.gz WOGKLJAXOWRQRX-UHFFFAOYSA-N 0 3 364.457 2.496 40 0 FEABHN CN(C)CCNc1nc(NCc2ccccc2F)cc(-c2cccnc2)n1 ZINC000328963783 553854115 /nfs/dbraw/zinc/85/41/15/553854115.db2.gz BRDMHTMNZBFGJU-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN CN(C)CCNc1nc(NCc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000329072431 553874970 /nfs/dbraw/zinc/87/49/70/553874970.db2.gz ZXZBCVFSWGXSOK-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN Cc1cc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)ccc1F ZINC000585284244 570494205 /nfs/dbraw/zinc/49/42/05/570494205.db2.gz WAFYVXYSYKEKNC-ICSRJNTNSA-N 0 3 367.461 2.006 40 0 FEABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1ccc(OCCF)cc1 ZINC000585293246 570497331 /nfs/dbraw/zinc/49/73/31/570497331.db2.gz SQUAQDYJAOZMNX-VAMGGRTRSA-N 0 3 363.404 2.495 40 0 FEABHN O=S(=O)(NCC[C@@H]1Cn2cccc2CN(C2CCCC2)C1)C1CC1 ZINC000585095512 571220325 /nfs/dbraw/zinc/22/03/25/571220325.db2.gz UUNICPIICQGUEV-OAHLLOKOSA-N 0 3 351.516 2.334 40 0 FEABHN Cn1c2ccc(CN3CCC(O)(c4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000012363594 539556287 /nfs/dbraw/zinc/55/62/87/539556287.db2.gz OZCMLTKEBIOZTA-UHFFFAOYSA-N 0 3 369.440 2.500 40 0 FEABHN C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019078825 539651800 /nfs/dbraw/zinc/65/18/00/539651800.db2.gz LCSSFCCCGUEILS-SCLBCKFNSA-N 0 3 370.428 2.392 40 0 FEABHN O=C(c1n[nH]c2c1CCCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019292321 539655474 /nfs/dbraw/zinc/65/54/74/539655474.db2.gz XDWWVJPQIQGTCI-QGZVFWFLSA-N 0 3 366.469 2.092 40 0 FEABHN O=C(CCc1ccccc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019370730 539656116 /nfs/dbraw/zinc/65/61/16/539656116.db2.gz HJDXECDWXAGICQ-QGZVFWFLSA-N 0 3 350.466 2.461 40 0 FEABHN Cc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019234626 539653825 /nfs/dbraw/zinc/65/38/25/539653825.db2.gz PZPPUCRQOJDJDK-KRWDZBQOSA-N 0 3 350.466 2.332 40 0 FEABHN Cc1ccnn1CCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019238463 539654113 /nfs/dbraw/zinc/65/41/13/539654113.db2.gz XJOKCOHXJNLMPC-SFHVURJKSA-N 0 3 368.485 2.113 40 0 FEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590229 539663217 /nfs/dbraw/zinc/66/32/17/539663217.db2.gz HYONWHANIUOWOD-OAHLLOKOSA-N 0 3 358.486 2.456 40 0 FEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590229 539663221 /nfs/dbraw/zinc/66/32/21/539663221.db2.gz HYONWHANIUOWOD-OAHLLOKOSA-N 0 3 358.486 2.456 40 0 FEABHN COc1ncc(C2(O)CCN(CCCc3ccccc3)CC2)c(OC)n1 ZINC000019594844 539663294 /nfs/dbraw/zinc/66/32/94/539663294.db2.gz XRLWIRJQJYSBLU-UHFFFAOYSA-N 0 3 357.454 2.410 40 0 FEABHN COc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019590699 539662838 /nfs/dbraw/zinc/66/28/38/539662838.db2.gz NALZFRTWGPSAQP-UHFFFAOYSA-N 0 3 366.465 2.493 40 0 FEABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCN(C(=O)C(C)C)C3)c2)CC1 ZINC000019705389 539666158 /nfs/dbraw/zinc/66/61/58/539666158.db2.gz BIWGEZDBAFTRMN-KRWDZBQOSA-N 0 3 358.486 2.030 40 0 FEABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(CC2CCCCC2)CC3)C1 ZINC000019709469 539666296 /nfs/dbraw/zinc/66/62/96/539666296.db2.gz VJKQRKITDAXFPJ-SFHVURJKSA-N 0 3 359.518 2.442 40 0 FEABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)no1 ZINC000019593536 539663351 /nfs/dbraw/zinc/66/33/51/539663351.db2.gz YUYMTFKHNWCCOX-MRXNPFEDSA-N 0 3 373.453 2.439 40 0 FEABHN Cc1ccc(-c2nnn(CC(=O)NC(C)(C)CN3CCCCC3)n2)cc1 ZINC000019661733 539664283 /nfs/dbraw/zinc/66/42/83/539664283.db2.gz GVWONGDMIKBJLH-UHFFFAOYSA-N 0 3 356.474 2.029 40 0 FEABHN Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@@H]2CCCN(C)C2)n1 ZINC000019655569 539664438 /nfs/dbraw/zinc/66/44/38/539664438.db2.gz XBFMVKLFDHRNGU-MRXNPFEDSA-N 0 3 364.453 2.049 40 0 FEABHN CN1CCC(NC(=O)CC2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC000019748203 539669127 /nfs/dbraw/zinc/66/91/27/539669127.db2.gz MKYRCOZFWXRQKW-UHFFFAOYSA-N 0 3 357.498 2.068 40 0 FEABHN CCN1CCN(C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373242 540009615 /nfs/dbraw/zinc/00/96/15/540009615.db2.gz XCDVXOUJHSIACL-IBGZPJMESA-N 0 3 350.503 2.204 40 0 FEABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(OC)n1 ZINC000072392573 541804219 /nfs/dbraw/zinc/80/42/19/541804219.db2.gz PXFSRWXASNIKFB-XAUMDUMWSA-N 0 3 355.438 2.223 40 0 FEABHN O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019710789 204701218 /nfs/dbraw/zinc/70/12/18/204701218.db2.gz NRKGNABZKLQQHU-QGZVFWFLSA-N 0 3 371.460 2.249 40 0 FEABHN O=C([C@H]1CCOC1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000107224544 206016805 /nfs/dbraw/zinc/01/68/05/206016805.db2.gz XYGRHSGZEDFHEY-GHTZIAJQSA-N 0 3 358.482 2.416 40 0 FEABHN NCC1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058020 206366942 /nfs/dbraw/zinc/36/69/42/206366942.db2.gz LKQRYSGABRKABZ-JKSUJKDBSA-N 0 3 350.871 2.184 40 0 FEABHN NC[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218432449 206370595 /nfs/dbraw/zinc/37/05/95/206370595.db2.gz SIKQPQOTOFKFHB-IKGGRYGDSA-N 0 3 351.855 2.217 40 0 FEABHN CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000096050123 542989359 /nfs/dbraw/zinc/98/93/59/542989359.db2.gz DNTMJEOWISMCKH-UHFFFAOYSA-N 0 3 370.522 2.452 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CC=CCC1)C2 ZINC000096039583 542988516 /nfs/dbraw/zinc/98/85/16/542988516.db2.gz CFHWUVVSACMQLE-NLWGTHIKSA-N 0 3 350.503 2.319 40 0 FEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)s1 ZINC000096108509 542992267 /nfs/dbraw/zinc/99/22/67/542992267.db2.gz WOPLKSBFELRRTI-APWZRJJASA-N 0 3 357.479 2.330 40 0 FEABHN Cc1nc(CN2CCC3(CCN(Cc4cnn(C)c4)CC3)C2=O)cs1 ZINC000096157852 542994178 /nfs/dbraw/zinc/99/41/78/542994178.db2.gz WZMYSZOWFUMTJW-UHFFFAOYSA-N 0 3 359.499 2.200 40 0 FEABHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000096245403 542997124 /nfs/dbraw/zinc/99/71/24/542997124.db2.gz QQRUZPDQQIKIFA-IAGOWNOFSA-N 0 3 358.463 2.145 40 0 FEABHN COc1ncccc1CN1CC[C@@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096063215 542990501 /nfs/dbraw/zinc/99/05/01/542990501.db2.gz WXGBOHMTLWIAMZ-HXUWFJFHSA-N 0 3 352.438 2.110 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000242548249 548886770 /nfs/dbraw/zinc/88/67/70/548886770.db2.gz LFLHUJWIIGKJIL-WOSRLPQWSA-N 0 3 374.890 2.073 40 0 FEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 ZINC000242548428 548887070 /nfs/dbraw/zinc/88/70/70/548887070.db2.gz LKTKXNZPVNDZGW-SQNIBIBYSA-N 0 3 364.898 2.498 40 0 FEABHN Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)cs1 ZINC000248064879 549405028 /nfs/dbraw/zinc/40/50/28/549405028.db2.gz WPMOWNKTWZIFRD-XNRPHZJLSA-N 0 3 363.508 2.390 40 0 FEABHN Cc1cc(CN2CC3(C2)C[C@@H](COCc2cccnc2)CCN3C)no1 ZINC000248152510 549412016 /nfs/dbraw/zinc/41/20/16/549412016.db2.gz UQMUOASQZAIKDV-KRWDZBQOSA-N 0 3 356.470 2.491 40 0 FEABHN COc1ccc(F)cc1C(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257327693 549728936 /nfs/dbraw/zinc/72/89/36/549728936.db2.gz XCHGVHTYUHILHY-UHFFFAOYSA-N 0 3 358.417 2.364 40 0 FEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)c1 ZINC000257339922 549728941 /nfs/dbraw/zinc/72/89/41/549728941.db2.gz ZDTCZZJHYYJJOI-CQSZACIVSA-N 0 3 350.426 2.193 40 0 FEABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306134532 553749771 /nfs/dbraw/zinc/74/97/71/553749771.db2.gz NQIBSZYHYABATN-UHFFFAOYSA-N 0 3 357.433 2.005 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306137396 553750193 /nfs/dbraw/zinc/75/01/93/553750193.db2.gz QVGNWNQHLQSTCT-HOTGVXAUSA-N 0 3 363.421 2.428 40 0 FEABHN Cc1cc(CN2CC3(C2)C[C@H](COCc2cccnc2)CCN3C)n(C)n1 ZINC000306142027 553751457 /nfs/dbraw/zinc/75/14/57/553751457.db2.gz WNGLYZCBISJRNY-GOSISDBHSA-N 0 3 369.513 2.237 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2)cc(-c2cccnc2)n1 ZINC000328959933 553853853 /nfs/dbraw/zinc/85/38/53/553853853.db2.gz AVPCBLVREHQSBF-UHFFFAOYSA-N 0 3 350.426 2.961 40 0 FEABHN CN(C)CCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)n1 ZINC000328975158 553856692 /nfs/dbraw/zinc/85/66/92/553856692.db2.gz FJRLARFFDAORTL-UHFFFAOYSA-N 0 3 362.481 2.011 40 0 FEABHN COc1cccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c1 ZINC000329060731 553873437 /nfs/dbraw/zinc/87/34/37/553873437.db2.gz WNGAYWYZWCSLCD-UHFFFAOYSA-N 0 3 355.364 2.065 40 0 FEABHN COc1cc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cc(OC)c1O ZINC000585294776 570506514 /nfs/dbraw/zinc/50/65/14/570506514.db2.gz KCRFUOZOMVWHJZ-MBOZVWFJSA-N 0 3 373.449 2.039 40 0 FEABHN Cc1cnc([N-]c2nccnc2[C@@H]2CCCN2C(=O)/C=C/C[NH+](C)C)s1 ZINC000585292710 571134118 /nfs/dbraw/zinc/13/41/18/571134118.db2.gz RMOZECRPVRSYNE-DYLGSBMWSA-N 0 3 372.498 2.766 40 0 FEABHN Cc1cccc(C(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)c1 ZINC000585105073 571224103 /nfs/dbraw/zinc/22/41/03/571224103.db2.gz XNVZQCCNBSSHGR-HXUWFJFHSA-N 0 3 372.509 2.463 40 0 FEABHN CN(C)c1nc([C@@H]2CCN(C(=O)C3CCN(C)CC3)C2)cn2cccc12 ZINC000585182570 571238355 /nfs/dbraw/zinc/23/83/55/571238355.db2.gz SNJZNGLTZYESAQ-MRXNPFEDSA-N 0 3 355.486 2.058 40 0 FEABHN CC1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000012291414 539552062 /nfs/dbraw/zinc/55/20/62/539552062.db2.gz DSKBJTGIUKSWGY-GOSISDBHSA-N 0 3 352.500 2.164 40 0 FEABHN Cc1cccc(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c1 ZINC000019234651 539653191 /nfs/dbraw/zinc/65/31/91/539653191.db2.gz JJCWHDRONGCTHL-UHFFFAOYSA-N 0 3 350.466 2.379 40 0 FEABHN Cc1nccc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)n1 ZINC000019287539 539653413 /nfs/dbraw/zinc/65/34/13/539653413.db2.gz WQXMKMOIDFIKAG-INIZCTEOSA-N 0 3 362.437 2.310 40 0 FEABHN C[C@@H](CN(C)C)NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 ZINC000019455921 539656779 /nfs/dbraw/zinc/65/67/79/539656779.db2.gz KKSGWDGWDRIQPD-AWEZNQCLSA-N 0 3 374.510 2.327 40 0 FEABHN CC(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)[nH]n1 ZINC000019451823 539657040 /nfs/dbraw/zinc/65/70/40/539657040.db2.gz KFDXGUBGENMYCX-QGZVFWFLSA-N 0 3 354.458 2.288 40 0 FEABHN CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)n[nH]1 ZINC000019451883 539657497 /nfs/dbraw/zinc/65/74/97/539657497.db2.gz RDTSOZJZWSAPLZ-OAHLLOKOSA-N 0 3 354.458 2.336 40 0 FEABHN COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1OC ZINC000019567379 539660813 /nfs/dbraw/zinc/66/08/13/539660813.db2.gz JRHHWWJRVUBDPQ-INIZCTEOSA-N 0 3 368.437 2.117 40 0 FEABHN COc1cccc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)c1 ZINC000019565290 539660953 /nfs/dbraw/zinc/66/09/53/539660953.db2.gz WZXXZPUHTCUDMM-KRWDZBQOSA-N 0 3 350.426 2.408 40 0 FEABHN Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019578328 539661857 /nfs/dbraw/zinc/66/18/57/539661857.db2.gz HCGIOKQEAKPDEJ-CWFSZBLJSA-N 0 3 354.498 2.188 40 0 FEABHN COCCOc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019593806 539663434 /nfs/dbraw/zinc/66/34/34/539663434.db2.gz HUCXPBSFYDONOQ-HXUWFJFHSA-N 0 3 368.481 2.485 40 0 FEABHN COc1ccc(CN(C(=O)c2cnc(N)nc2C)C2CCN(C)CC2)cc1 ZINC000019656030 539664087 /nfs/dbraw/zinc/66/40/87/539664087.db2.gz OOBRXYTUWJESDV-UHFFFAOYSA-N 0 3 369.469 2.112 40 0 FEABHN Cc1nc(Cn2ncc3ccccc3c2=O)cc(N[C@H]2CCCN(C)C2)n1 ZINC000019655570 539664310 /nfs/dbraw/zinc/66/43/10/539664310.db2.gz XBFMVKLFDHRNGU-INIZCTEOSA-N 0 3 364.453 2.049 40 0 FEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CC2CCCCC2)CC3)C1 ZINC000019709547 539666005 /nfs/dbraw/zinc/66/60/05/539666005.db2.gz GTLLAZKYEQCRJO-QGZVFWFLSA-N 0 3 359.518 2.442 40 0 FEABHN Cn1ccc(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)n1 ZINC000019715565 539667286 /nfs/dbraw/zinc/66/72/86/539667286.db2.gz KCLSILUWRMHGCY-CYBMUJFWSA-N 0 3 370.432 2.329 40 0 FEABHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2C)CC1 ZINC000072347647 541801232 /nfs/dbraw/zinc/80/12/32/541801232.db2.gz QCVTZLFJYUZZDY-QGZVFWFLSA-N 0 3 369.513 2.390 40 0 FEABHN C[C@@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373070 541801749 /nfs/dbraw/zinc/80/17/49/541801749.db2.gz UESQDFYMSNYBDQ-SJORKVTESA-N 0 3 372.513 2.018 40 0 FEABHN O=C(CNC[C@@H]1CCCO1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000035311537 204238357 /nfs/dbraw/zinc/23/83/57/204238357.db2.gz SVAQAHMMZWLQEG-SFHVURJKSA-N 0 3 359.470 2.410 40 0 FEABHN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 ZINC000096245404 205864826 /nfs/dbraw/zinc/86/48/26/205864826.db2.gz QQRUZPDQQIKIFA-IRXDYDNUSA-N 0 3 358.463 2.145 40 0 FEABHN Cc1cccc(CN2CCC3(CC(NC(=O)c4cnn(C)c4)C3)CC2)n1 ZINC000108527637 206032655 /nfs/dbraw/zinc/03/26/55/206032655.db2.gz LZLYDQFJYGAXOI-UHFFFAOYSA-N 0 3 353.470 2.298 40 0 FEABHN COc1ccc(OCC(=O)N2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169296139 206249262 /nfs/dbraw/zinc/24/92/62/206249262.db2.gz KHWMYTSEJQOBMD-RCCFBDPRSA-N 0 3 356.466 2.430 40 0 FEABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218586581 206372072 /nfs/dbraw/zinc/37/20/72/206372072.db2.gz CPCIUZYFGZHWEX-IIDMSEBBSA-N 0 3 368.499 2.118 40 0 FEABHN NC[C@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218608158 206372413 /nfs/dbraw/zinc/37/24/13/206372413.db2.gz QMKUWWLTFYZCKQ-IKGGRYGDSA-N 0 3 369.845 2.356 40 0 FEABHN Cc1cccc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)n1 ZINC000096159073 132221136 /nfs/dbraw/zinc/22/11/36/132221136.db2.gz XVCCIJIADFVZPB-UHFFFAOYSA-N 0 3 357.433 2.191 40 0 FEABHN COCC[N@@H+]1C[C@@H]2CN(Cc3ccc(C)s3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185175 542995205 /nfs/dbraw/zinc/99/52/05/542995205.db2.gz ZSLVGSUNZDOVST-YJBOKZPZSA-N 0 3 352.500 2.302 40 0 FEABHN COCC[N@H+]1C[C@@H]2CN(Cc3ccc(C)s3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185175 542995209 /nfs/dbraw/zinc/99/52/09/542995209.db2.gz ZSLVGSUNZDOVST-YJBOKZPZSA-N 0 3 352.500 2.302 40 0 FEABHN COCCN1C[C@@H]2C[N@H+](Cc3ccc(C)s3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185175 542995212 /nfs/dbraw/zinc/99/52/12/542995212.db2.gz ZSLVGSUNZDOVST-YJBOKZPZSA-N 0 3 352.500 2.302 40 0 FEABHN COCCN1C[C@@H]2C[N@@H+](Cc3ccc(C)s3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185175 542995213 /nfs/dbraw/zinc/99/52/13/542995213.db2.gz ZSLVGSUNZDOVST-YJBOKZPZSA-N 0 3 352.500 2.302 40 0 FEABHN Cn1cc(CN2CCC3(CO[C@H](COCc4ccccn4)C3)CC2)cn1 ZINC000096209783 542995939 /nfs/dbraw/zinc/99/59/39/542995939.db2.gz PTMNSILBHOVPOA-IBGZPJMESA-N 0 3 356.470 2.403 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccncc1)C2)NCc1cccs1 ZINC000096207030 542996359 /nfs/dbraw/zinc/99/63/59/542996359.db2.gz VUSLESXDWVSTRH-APWZRJJASA-N 0 3 357.479 2.298 40 0 FEABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccc1F)CC2 ZINC000096260317 542997633 /nfs/dbraw/zinc/99/76/33/542997633.db2.gz QJLHNOMIUZFWEY-UHFFFAOYSA-N 0 3 356.445 2.247 40 0 FEABHN COCCN1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 ZINC000096260482 542997797 /nfs/dbraw/zinc/99/77/97/542997797.db2.gz AVOSCVIMLQVDFE-UHFFFAOYSA-N 0 3 360.502 2.185 40 0 FEABHN COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)N=C1C ZINC000096261514 542998017 /nfs/dbraw/zinc/99/80/17/542998017.db2.gz AYXNCSBZCDCKND-OXFYSEKESA-N 0 3 359.445 2.313 40 0 FEABHN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096076319 542990352 /nfs/dbraw/zinc/99/03/52/542990352.db2.gz FGMZZPNUGDABGZ-FQEVSTJZSA-N 0 3 358.486 2.252 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242543279 548886556 /nfs/dbraw/zinc/88/65/56/548886556.db2.gz JVEFSRVRWZLJPV-NLWGTHIKSA-N 0 3 373.474 2.443 40 0 FEABHN CC(=O)N1CCCCC[C@@H]2N(C(=O)CN)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257236547 549720055 /nfs/dbraw/zinc/72/00/55/549720055.db2.gz HCQFDBIGVXMYKI-DYXWJJEUSA-N 0 3 357.498 2.339 40 0 FEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccccc2C)C1 ZINC000257257044 549721903 /nfs/dbraw/zinc/72/19/03/549721903.db2.gz KNWJRVWXRLYNPA-NRFANRHFSA-N 0 3 353.466 2.489 40 0 FEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 ZINC000257262427 549722204 /nfs/dbraw/zinc/72/22/04/549722204.db2.gz LLJNKHIOKXXHHB-HNNXBMFYSA-N 0 3 359.430 2.011 40 0 FEABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ncnc2ccccc21 ZINC000257331907 549728795 /nfs/dbraw/zinc/72/87/95/549728795.db2.gz XUTZGUFOAUZSSO-PXNSSMCTSA-N 0 3 354.454 2.484 40 0 FEABHN COc1ccc(NC(=O)CN2CCNC[C@@H]2c2ccccc2OC)cc1 ZINC000262311526 549809340 /nfs/dbraw/zinc/80/93/40/549809340.db2.gz YZLCMKVDEGNXFZ-GOSISDBHSA-N 0 3 355.438 2.289 40 0 FEABHN O=C(NC[C@@H]1Cn2nccc2CN(C2CCCC2)C1)C1CC(F)(F)C1 ZINC000306130065 553749129 /nfs/dbraw/zinc/74/91/29/553749129.db2.gz IVMUXXWBTLMHGZ-ZDUSSCGKSA-N 0 3 352.429 2.419 40 0 FEABHN Cn1nc(C(=O)N2Cc3ccnn3[C@@H](CN3CCCC3)C2)c2ccccc21 ZINC000306128713 553749236 /nfs/dbraw/zinc/74/92/36/553749236.db2.gz HIYMYWICPMMEGO-INIZCTEOSA-N 0 3 364.453 2.063 40 0 FEABHN O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 ZINC000306125028 553749257 /nfs/dbraw/zinc/74/92/57/553749257.db2.gz CFARSWXRIPCXLJ-FXAWDEMLSA-N 0 3 369.444 2.281 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306135547 553750284 /nfs/dbraw/zinc/75/02/84/553750284.db2.gz OUOUWZYCCPZNEV-GJZGRUSLSA-N 0 3 369.444 2.004 40 0 FEABHN Cc1nnsc1C(=O)N[C@H]1CCCC[C@@]12CN(CC(C)C)CCO2 ZINC000306138013 553750422 /nfs/dbraw/zinc/75/04/22/553750422.db2.gz RMPBTZSXHQRNAO-WMLDXEAASA-N 0 3 352.504 2.246 40 0 FEABHN Cc1nnsc1C(=O)N[C@@H]1CCCC[C@]12CN(CC(C)C)CCO2 ZINC000306138011 553750471 /nfs/dbraw/zinc/75/04/71/553750471.db2.gz RMPBTZSXHQRNAO-PBHICJAKSA-N 0 3 352.504 2.246 40 0 FEABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3C[C@@H]3CCCO3)CC2)cn1 ZINC000585099824 571221936 /nfs/dbraw/zinc/22/19/36/571221936.db2.gz CZURMTBYVSKEDG-ICSRJNTNSA-N 0 3 360.502 2.429 40 0 FEABHN Cc1cccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CCN3CCCC3)C2)c1 ZINC000585112661 571226389 /nfs/dbraw/zinc/22/63/89/571226389.db2.gz UUNCLXZXCXFTLW-SFHVURJKSA-N 0 3 374.510 2.423 40 0 FEABHN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@H]3C2)cc1 ZINC000001336139 539340749 /nfs/dbraw/zinc/34/07/49/539340749.db2.gz FBUWYWUKHYXXSO-WMZOPIPTSA-N 0 3 370.501 2.306 40 0 FEABHN C[C@@H](C(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 ZINC000012145146 539545813 /nfs/dbraw/zinc/54/58/13/539545813.db2.gz WHTWHAARRPNJRW-LSDHHAIUSA-N 0 3 354.454 2.113 40 0 FEABHN CC(C)(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)[nH]n1 ZINC000019083681 539651218 /nfs/dbraw/zinc/65/12/18/539651218.db2.gz IZQKPEPBMQQSBZ-CQSZACIVSA-N 0 3 354.458 2.120 40 0 FEABHN c1cc2c(cc1CN1CCc3nc([C@H]4CCCN4)ncc3C1)OCCO2 ZINC000019345795 539656464 /nfs/dbraw/zinc/65/64/64/539656464.db2.gz JVEBQPLPEUYRLB-QGZVFWFLSA-N 0 3 352.438 2.231 40 0 FEABHN COc1cccc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1OC ZINC000019567382 539660792 /nfs/dbraw/zinc/66/07/92/539660792.db2.gz JRHHWWJRVUBDPQ-MRXNPFEDSA-N 0 3 368.437 2.117 40 0 FEABHN COc1ccccc1C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019570055 539661374 /nfs/dbraw/zinc/66/13/74/539661374.db2.gz MRUAQGRRJRBSFD-OAHLLOKOSA-N 0 3 354.454 2.368 40 0 FEABHN COc1ccccc1C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019570055 539661377 /nfs/dbraw/zinc/66/13/77/539661377.db2.gz MRUAQGRRJRBSFD-OAHLLOKOSA-N 0 3 354.454 2.368 40 0 FEABHN Cc1c2ccccc2[nH]c1-c1cncn1CCN[C@@H]1CCS(=O)(=O)C1 ZINC000019719638 539668070 /nfs/dbraw/zinc/66/80/70/539668070.db2.gz UUQBJSSAAFERBD-CQSZACIVSA-N 0 3 358.467 2.117 40 0 FEABHN CNc1cc(CN(C)C(=O)COc2ccc(F)cc2)nc([C@H]2CCCN2)n1 ZINC000019760754 539669354 /nfs/dbraw/zinc/66/93/54/539669354.db2.gz UFKOQWXCJAEBDY-MRXNPFEDSA-N 0 3 373.432 2.119 40 0 FEABHN CN1CCN(CC(C)(C)CN2CCC(O)(c3ccccc3F)CC2)CC1 ZINC000023247913 539710481 /nfs/dbraw/zinc/71/04/81/539710481.db2.gz WIKZBODVKNGEQZ-UHFFFAOYSA-N 0 3 363.521 2.383 40 0 FEABHN CCN(c1ccc(C(=O)NCCN2CCCCCC2)cc1)S(C)(=O)=O ZINC000026111522 539777425 /nfs/dbraw/zinc/77/74/25/539777425.db2.gz CHWFTWOSCDKOEY-UHFFFAOYSA-N 0 3 367.515 2.078 40 0 FEABHN Cc1onc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)c1Cn1cccn1 ZINC000012203322 204440405 /nfs/dbraw/zinc/44/04/05/204440405.db2.gz MLUFPUGXRQLXHB-CQSZACIVSA-N 0 3 359.474 2.468 40 0 FEABHN COc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)cc1 ZINC000096061488 205814464 /nfs/dbraw/zinc/81/44/64/205814464.db2.gz YMJJHWZDPLUSKG-SFHVURJKSA-N 0 3 354.454 2.067 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)s1 ZINC000108530695 206035293 /nfs/dbraw/zinc/03/52/93/206035293.db2.gz RNEFIXIVPYGFAI-AWEZNQCLSA-N 0 3 358.529 2.119 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001000 206368006 /nfs/dbraw/zinc/36/80/06/206368006.db2.gz FMUNLIWMPFARMS-DOMZBBRYSA-N 0 3 360.863 2.108 40 0 FEABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096106600 542990950 /nfs/dbraw/zinc/99/09/50/542990950.db2.gz TUOIPEKPMIPPSN-QGZVFWFLSA-N 0 3 350.434 2.054 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccccn1)C2)NCc1cccs1 ZINC000096206402 542995462 /nfs/dbraw/zinc/99/54/62/542995462.db2.gz MJSDIJBAEXKPIY-BEFAXECRSA-N 0 3 357.479 2.298 40 0 FEABHN C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)NCCCN1CCCCC1 ZINC000100217235 543024699 /nfs/dbraw/zinc/02/46/99/543024699.db2.gz XLMGCVDTDBSLHG-XGHQBKJUSA-N 0 3 369.465 2.066 40 0 FEABHN C[C@H](CNC(=O)[C@@H](C)N1c2ccccc2O[C@H](C)C1=O)N1CCC(C)CC1 ZINC000019496771 263374182 /nfs/dbraw/zinc/37/41/82/263374182.db2.gz BFTNPJQMTMGDSF-BRWVUGGUSA-N 0 3 373.497 2.426 40 0 FEABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000242554602 548886877 /nfs/dbraw/zinc/88/68/77/548886877.db2.gz MOCLUVQWQPIJMY-ZACQAIPSSA-N 0 3 351.855 2.217 40 0 FEABHN COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccc(C)s1)CC2 ZINC000248059352 549403782 /nfs/dbraw/zinc/40/37/82/549403782.db2.gz CQIJDJUGHUGIAQ-OAHLLOKOSA-N 0 3 372.556 2.177 40 0 FEABHN C[C@H](CNC(=O)[C@@H](C)N1c2ccccc2O[C@@H](C)C1=O)N1CCC(C)CC1 ZINC000253371428 549684710 /nfs/dbraw/zinc/68/47/10/549684710.db2.gz BFTNPJQMTMGDSF-ZACQAIPSSA-N 0 3 373.497 2.426 40 0 FEABHN CN(C)Cc1ccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)cc1 ZINC000257238519 549721002 /nfs/dbraw/zinc/72/10/02/549721002.db2.gz HLJQKEWQBNLJQQ-LJQANCHMSA-N 0 3 354.454 2.012 40 0 FEABHN COc1ccccc1CN[C@@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H](O)[C@@H]1O ZINC000257240920 549721011 /nfs/dbraw/zinc/72/10/11/549721011.db2.gz HVTKWTRMSQFSBI-VBSBHUPXSA-N 0 3 361.413 2.256 40 0 FEABHN CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(N)=O)C1)C1CCCC1 ZINC000257297587 549725396 /nfs/dbraw/zinc/72/53/96/549725396.db2.gz RHYNRJAZUWFOPA-LPHOPBHVSA-N 0 3 373.497 2.032 40 0 FEABHN CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3ccccn3)[C@@H]2C1 ZINC000257306728 549726060 /nfs/dbraw/zinc/72/60/60/549726060.db2.gz SVOHORPZGOFKBV-CBPXPLCBSA-N 0 3 365.477 2.279 40 0 FEABHN Cc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)[n-]c(=O)n1 ZINC000257311062 549726856 /nfs/dbraw/zinc/72/68/56/549726856.db2.gz UHUCHEKDNOZGID-JFIYKMOQSA-N 0 3 352.438 2.051 40 0 FEABHN Cc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3C)[n-]c(=O)n1 ZINC000257311062 549726857 /nfs/dbraw/zinc/72/68/57/549726857.db2.gz UHUCHEKDNOZGID-JFIYKMOQSA-N 0 3 352.438 2.051 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)CC1 ZINC000257321808 549727194 /nfs/dbraw/zinc/72/71/94/549727194.db2.gz WDIGICYPRVYRQC-SAABIXHNSA-N 0 3 372.513 2.376 40 0 FEABHN CC(C)C(=O)N[C@H]1CCN(CCCOc2ccccc2F)CC[C@@H]1O ZINC000257329392 549728965 /nfs/dbraw/zinc/72/89/65/549728965.db2.gz XJUVBXINLAPVIA-IRXDYDNUSA-N 0 3 352.450 2.192 40 0 FEABHN CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nc(C)cs3)n2)C1 ZINC000257328622 549729033 /nfs/dbraw/zinc/72/90/33/549729033.db2.gz XGLMNYBYZQSHEL-CYBMUJFWSA-N 0 3 360.487 2.219 40 0 FEABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306124732 553748811 /nfs/dbraw/zinc/74/88/11/553748811.db2.gz BXXVBVAGVVYDOH-UHFFFAOYSA-N 0 3 371.510 2.460 40 0 FEABHN Cc1ccc(CN2C[C@H](c3ccnn3C(C)C)[C@]3(C2)OCCNC3=O)cc1 ZINC000306127384 553749167 /nfs/dbraw/zinc/74/91/67/553749167.db2.gz FXHIXNCQFKPSSU-NQIIRXRSSA-N 0 3 368.481 2.257 40 0 FEABHN c1ccc(COCCN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1 ZINC000306137745 553750148 /nfs/dbraw/zinc/75/01/48/553750148.db2.gz REWBMHKSGZKSHW-IPMKNSEASA-N 0 3 354.454 2.052 40 0 FEABHN CN(Cc1ccccn1)[C@H]1CO[C@]2(C1)CCCN(Cc1cncn1C)C2 ZINC000306144888 553751518 /nfs/dbraw/zinc/75/15/18/553751518.db2.gz ZRMVIBAWNBUBOS-QUCCMNQESA-N 0 3 355.486 2.071 40 0 FEABHN COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)nc(C)n1)CC2 ZINC000328962926 553854235 /nfs/dbraw/zinc/85/42/35/553854235.db2.gz BKSVLUZVNUKRQT-GFCCVEGCSA-N 0 3 358.442 2.158 40 0 FEABHN CN(C)CCNc1nc(NCc2ccccc2F)cc(-c2ccccn2)n1 ZINC000329026285 553867389 /nfs/dbraw/zinc/86/73/89/553867389.db2.gz PLRNCOURQLILAA-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN Cc1cccc(CNc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c1 ZINC000329062430 553873758 /nfs/dbraw/zinc/87/37/58/553873758.db2.gz WYBJHWLDNUQLDS-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(C)CC1 ZINC000585097589 571220608 /nfs/dbraw/zinc/22/06/08/571220608.db2.gz NAYOETDTTSEXBN-MRXNPFEDSA-N 0 3 357.458 2.326 40 0 FEABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104697 571223864 /nfs/dbraw/zinc/22/38/64/571223864.db2.gz RIKBTHFFNLBLTA-HXUWFJFHSA-N 0 3 352.438 2.041 40 0 FEABHN CCc1ccccc1C(=O)N1CCC2(CO[C@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585104799 571224209 /nfs/dbraw/zinc/22/42/09/571224209.db2.gz SXCSDAYVAQCTNP-OALUTQOASA-N 0 3 372.509 2.327 40 0 FEABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(N[C@H](C)CN(C)C)n2)c1 ZINC000012163653 539547894 /nfs/dbraw/zinc/54/78/94/539547894.db2.gz JPSHSXKUUXDZIA-XOKHGSTOSA-N 0 3 371.485 2.023 40 0 FEABHN O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292351 539654620 /nfs/dbraw/zinc/65/46/20/539654620.db2.gz PEQAGKXRAIFZAN-QGZVFWFLSA-N 0 3 366.469 2.092 40 0 FEABHN C[C@@H](Cn1cncn1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000019457892 539657507 /nfs/dbraw/zinc/65/75/07/539657507.db2.gz VKJRNOFFDNXVFU-INIZCTEOSA-N 0 3 357.458 2.418 40 0 FEABHN CC(C)c1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 ZINC000019454126 539657526 /nfs/dbraw/zinc/65/75/26/539657526.db2.gz FCUXHFZYDBMUDS-QHAWAJNXSA-N 0 3 366.509 2.462 40 0 FEABHN COc1ccccc1C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019570058 539661332 /nfs/dbraw/zinc/66/13/32/539661332.db2.gz MRUAQGRRJRBSFD-HNNXBMFYSA-N 0 3 354.454 2.368 40 0 FEABHN COc1ccccc1C[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1 ZINC000019570058 539661335 /nfs/dbraw/zinc/66/13/35/539661335.db2.gz MRUAQGRRJRBSFD-HNNXBMFYSA-N 0 3 354.454 2.368 40 0 FEABHN COCc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)o1 ZINC000019594501 539663645 /nfs/dbraw/zinc/66/36/45/539663645.db2.gz UFSARKGOGOJUGP-UHFFFAOYSA-N 0 3 366.421 2.172 40 0 FEABHN COCc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)o1 ZINC000019594501 539663649 /nfs/dbraw/zinc/66/36/49/539663649.db2.gz UFSARKGOGOJUGP-UHFFFAOYSA-N 0 3 366.421 2.172 40 0 FEABHN O=C(N[C@@H](CCN1CCCCC1)c1ccccc1)c1cccn2nnnc12 ZINC000019661948 539664545 /nfs/dbraw/zinc/66/45/45/539664545.db2.gz OUHHSGLJNFMKDQ-SFHVURJKSA-N 0 3 364.453 2.471 40 0 FEABHN COc1cc2c(cc1CN1CCC(c3nnc4n3CCNC4)CC1)CCC2 ZINC000019711171 539667020 /nfs/dbraw/zinc/66/70/20/539667020.db2.gz YKBCIVHOFAARPN-UHFFFAOYSA-N 0 3 367.497 2.258 40 0 FEABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000030848334 539891933 /nfs/dbraw/zinc/89/19/33/539891933.db2.gz AOEGSQFMLRLGKH-UHFFFAOYSA-N 0 3 373.906 2.317 40 0 FEABHN Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)[C@H]3CCCCN3)nc(C)n2)n[nH]1 ZINC000072361487 541802115 /nfs/dbraw/zinc/80/21/15/541802115.db2.gz WEVCWGVPYOMIAT-ZBFHGGJFSA-N 0 3 369.473 2.366 40 0 FEABHN Cc1cc(Nc2cc([C@H]3CCCN3C(=O)[C@@H]3CCCCN3)nc(C)n2)n[nH]1 ZINC000072361486 541802282 /nfs/dbraw/zinc/80/22/82/541802282.db2.gz WEVCWGVPYOMIAT-GOEBONIOSA-N 0 3 369.473 2.366 40 0 FEABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 ZINC000306134996 203788941 /nfs/dbraw/zinc/78/89/41/203788941.db2.gz OEAYQDPWOIWVGO-PXNSSMCTSA-N 0 3 357.454 2.120 40 0 FEABHN COc1cc(NC(=S)NC[C@H]2CCCN(C)C2)cc(OC)c1OC ZINC000009876270 204384893 /nfs/dbraw/zinc/38/48/93/204384893.db2.gz HJBRULBGMMGZFB-GFCCVEGCSA-N 0 3 353.488 2.341 40 0 FEABHN CCN1CCC[C@H]1CN(Cc1cnc(N(C)C)nc1)Cc1ccccn1 ZINC000019527174 204687494 /nfs/dbraw/zinc/68/74/94/204687494.db2.gz DNUKALOVANUHOD-IBGZPJMESA-N 0 3 354.502 2.424 40 0 FEABHN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710649 204701614 /nfs/dbraw/zinc/70/16/14/204701614.db2.gz MSPKHUDBHIYACY-INIZCTEOSA-N 0 3 368.416 2.022 40 0 FEABHN COc1ccc(OC)c([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000038541243 205041458 /nfs/dbraw/zinc/04/14/58/205041458.db2.gz OQIIVSXXNYALGJ-CJNGLKHVSA-N 0 3 365.474 2.303 40 0 FEABHN Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CN1CCC[C@H](C)C1 ZINC000072337462 205513685 /nfs/dbraw/zinc/51/36/85/205513685.db2.gz DGTDSTOXWANLNV-LXZKKBNFSA-N 0 3 353.470 2.358 40 0 FEABHN NCC1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218550767 206372123 /nfs/dbraw/zinc/37/21/23/206372123.db2.gz CAUHBBBAZUMRKN-HOTGVXAUSA-N 0 3 368.861 2.323 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1CC=CCC1)C2 ZINC000096039585 542988110 /nfs/dbraw/zinc/98/81/10/542988110.db2.gz CFHWUVVSACMQLE-CMKODMSKSA-N 0 3 350.503 2.319 40 0 FEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)o1 ZINC000096043359 542988210 /nfs/dbraw/zinc/98/82/10/542988210.db2.gz ULSWYMQZQGJAGL-IXDOHACOSA-N 0 3 356.426 2.244 40 0 FEABHN Cc1noc(C)c1CN1CCC2(CC[C@@H]2NC(=O)c2cnccn2)CC1 ZINC000096051492 542988920 /nfs/dbraw/zinc/98/89/20/542988920.db2.gz HMPYWRPAPBBOLQ-KRWDZBQOSA-N 0 3 355.442 2.256 40 0 FEABHN Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cscn2)CC3)cn1 ZINC000096047286 542989064 /nfs/dbraw/zinc/98/90/64/542989064.db2.gz LURNWUPKYRQNMT-UHFFFAOYSA-N 0 3 359.499 2.395 40 0 FEABHN COCCN1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@]2(c2ccccc2)C1 ZINC000096083263 542991466 /nfs/dbraw/zinc/99/14/66/542991466.db2.gz HSYMUKXLXUKNHH-WIYYLYMNSA-N 0 3 353.466 2.377 40 0 FEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCC1CCOCC1 ZINC000096218913 542995856 /nfs/dbraw/zinc/99/58/56/542995856.db2.gz JFUYQYSTVVHPIN-XUVXKRRUSA-N 0 3 358.482 2.209 40 0 FEABHN CC(C)CCN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)Nc1ccccc1 ZINC000096251077 542996812 /nfs/dbraw/zinc/99/68/12/542996812.db2.gz IZIGHXNVTVREAE-KZNAEPCWSA-N 0 3 364.511 2.406 40 0 FEABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccc(F)cc1)CC2 ZINC000096260309 542997917 /nfs/dbraw/zinc/99/79/17/542997917.db2.gz YGPLETYTLYYVTG-UHFFFAOYSA-N 0 3 356.445 2.247 40 0 FEABHN CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096056953 542989901 /nfs/dbraw/zinc/98/99/01/542989901.db2.gz ANLKBCPSDAQKCA-AEFFLSMTSA-N 0 3 352.500 2.224 40 0 FEABHN CC(=O)N1CCC2(C[C@@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096079502 542990359 /nfs/dbraw/zinc/99/03/59/542990359.db2.gz CJZIINFURYSPKD-QGZVFWFLSA-N 0 3 357.498 2.122 40 0 FEABHN CC(C)CCN1CCC(O)(c2csc(CN3CCN(C)CC3)n2)CC1 ZINC000225471858 548735298 /nfs/dbraw/zinc/73/52/98/548735298.db2.gz YEJZKXIFIYEUHF-UHFFFAOYSA-N 0 3 366.575 2.220 40 0 biogenic,in-vitro FEABHN CN(C)CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cn1 ZINC000225927881 548746072 /nfs/dbraw/zinc/74/60/72/548746072.db2.gz BMZGCKWYZHZDTG-UHFFFAOYSA-N 0 3 364.446 2.018 40 0 FEABHN COC[C@@H]1CN(C(C)=O)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000247941863 549393049 /nfs/dbraw/zinc/39/30/49/549393049.db2.gz NMBQWSJAMFAHII-KRWDZBQOSA-N 0 3 360.454 2.122 40 0 FEABHN Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000248024269 549400119 /nfs/dbraw/zinc/40/01/19/549400119.db2.gz NJOKWTXGBYEKET-GOSISDBHSA-N 0 3 354.454 2.250 40 0 FEABHN Cc1csc(Nc2cccc(CC3CCN(C(CO)CO)CC3)n2)n1 ZINC000257285470 549724476 /nfs/dbraw/zinc/72/44/76/549724476.db2.gz PHEUQFGJTIRKHH-UHFFFAOYSA-N 0 3 362.499 2.198 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306129748 553748691 /nfs/dbraw/zinc/74/86/91/553748691.db2.gz ILQSNCWFNJGINY-DLBZAZTESA-N 0 3 374.448 2.230 40 0 FEABHN NC(=O)N1Cc2sc(-c3cccnc3)nc2[C@@]2(CCN(CC3CC3)C2)C1 ZINC000306129934 553749028 /nfs/dbraw/zinc/74/90/28/553749028.db2.gz IRDFIOXSWGZNFM-LJQANCHMSA-N 0 3 369.494 2.453 40 0 FEABHN CCc1ccc(CN2C[C@@H]3OC[C@H](CCOCC(=O)N(C)C)[C@@H]3C2)cc1 ZINC000306143322 553751483 /nfs/dbraw/zinc/75/14/83/553751483.db2.gz XYXKSFBXSQDHTD-UFYCRDLUSA-N 0 3 360.498 2.191 40 0 FEABHN Cn1cc(-c2ccc3c(c2)O[C@H]2CN(CC4CC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289383 560032805 /nfs/dbraw/zinc/03/28/05/560032805.db2.gz JJGKOOKVXMXHMQ-MJGOQNOKSA-N 0 3 352.438 2.014 40 0 biogenic,in-vitro FEABHN Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCCCC3)C2)ccc1F ZINC000585282022 570492545 /nfs/dbraw/zinc/49/25/45/570492545.db2.gz FXTUJLAXOWTBGT-FQEVSTJZSA-N 0 3 367.461 2.271 40 0 FEABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585285320 570494119 /nfs/dbraw/zinc/49/41/19/570494119.db2.gz QMELSAXOWHMZJJ-AZUAARDMSA-N 0 3 374.868 2.068 40 0 FEABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000514290182 571212029 /nfs/dbraw/zinc/21/20/29/571212029.db2.gz VACIUWSSFGMXDD-DLBZAZTESA-N 0 3 357.489 2.026 40 0 biogenic,in-vitro FEABHN Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@@H]2CN2CCC(C)CC2)no1 ZINC000585094926 571219672 /nfs/dbraw/zinc/21/96/72/571219672.db2.gz URNWQXPLYPKMNI-OAHLLOKOSA-N 0 3 357.458 2.016 40 0 FEABHN COc1ccc(-c2n[nH]c3c2CCN(C(=O)CN(C)C(C)C)CC3)cc1 ZINC000585110369 571225383 /nfs/dbraw/zinc/22/53/83/571225383.db2.gz LFNGBCUVBQTGDS-UHFFFAOYSA-N 0 3 356.470 2.353 40 0 FEABHN Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@@H]2[C@H]1CC=CCC1 ZINC000009289468 539500564 /nfs/dbraw/zinc/50/05/64/539500564.db2.gz DFZROZILPGRGAB-WMZOPIPTSA-N 0 3 370.501 2.264 40 0 FEABHN CC1=CC2=NC(=O)C[C@](C)(C(=O)NC(C)(C)CN3CCC[C@H](C)C3)N2C=C1 ZINC000012203308 539549243 /nfs/dbraw/zinc/54/92/43/539549243.db2.gz METCUPCESNKADG-HRAATJIYSA-N 0 3 372.513 2.476 40 0 FEABHN Cc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019287718 539655061 /nfs/dbraw/zinc/65/50/61/539655061.db2.gz KGEIYZVEPHYQIF-KDOFPFPSSA-N 0 3 368.485 2.017 40 0 FEABHN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019375458 539656008 /nfs/dbraw/zinc/65/60/08/539656008.db2.gz HMSAMJJEWBXTRA-RTBURBONSA-N 0 3 364.449 2.100 40 0 FEABHN CN(C[C@H]1CCCN(Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461282 539658284 /nfs/dbraw/zinc/65/82/84/539658284.db2.gz VJPLICXXVQSGRV-MOPGFXCFSA-N 0 3 350.528 2.408 40 0 FEABHN COc1cc(CN2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)ccc1O ZINC000019550073 539659289 /nfs/dbraw/zinc/65/92/89/539659289.db2.gz WMKGVOXAEFZVEK-OAHLLOKOSA-N 0 3 366.425 2.114 40 0 FEABHN COc1ccccc1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569570 539661054 /nfs/dbraw/zinc/66/10/54/539661054.db2.gz BCNJHBWRIQMTOU-MRXNPFEDSA-N 0 3 366.465 2.080 40 0 FEABHN COc1cccc(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)c1 ZINC000019587977 539661643 /nfs/dbraw/zinc/66/16/43/539661643.db2.gz QHXSWCWSPIRWRQ-INIZCTEOSA-N 0 3 366.465 2.032 40 0 FEABHN CN(C)C[C@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)C1CC1 ZINC000019582122 539662365 /nfs/dbraw/zinc/66/23/65/539662365.db2.gz UTNKAJWVAABOBW-OALUTQOASA-N 0 3 357.498 2.212 40 0 FEABHN COc1ccccc1CC(=O)N1CCc2nc([C@@H]3CCN(C)C3)ncc2C1 ZINC000019587983 539663397 /nfs/dbraw/zinc/66/33/97/539663397.db2.gz MOAMJBIIPQMXJI-MRXNPFEDSA-N 0 3 366.465 2.032 40 0 FEABHN CCN(C(=O)[C@H](C)c1nn(CC)c(=O)c2ccccc21)C1CCN(C)CC1 ZINC000019660560 539664501 /nfs/dbraw/zinc/66/45/01/539664501.db2.gz STESKUVYISYUFI-OAHLLOKOSA-N 0 3 370.497 2.463 40 0 FEABHN CCN(C(=O)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCN(C)CC1 ZINC000019665942 539664994 /nfs/dbraw/zinc/66/49/94/539664994.db2.gz KNTZNARJLYEHHD-INIZCTEOSA-N 0 3 361.461 2.117 40 0 FEABHN COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@@H]3C2)cc1 ZINC000022585574 539696176 /nfs/dbraw/zinc/69/61/76/539696176.db2.gz FBUWYWUKHYXXSO-AEFFLSMTSA-N 0 3 370.501 2.306 40 0 FEABHN Cn1nccc1CN1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108532275 209288865 /nfs/dbraw/zinc/28/88/65/209288865.db2.gz GXWLKRXJVLPTTJ-FQEVSTJZSA-N 0 3 353.470 2.220 40 0 FEABHN CC(=O)N1CC2(CCN(Cc3cccs3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000097952874 209200873 /nfs/dbraw/zinc/20/08/73/209200873.db2.gz PVCYIBYIBWBZCA-IBGZPJMESA-N 0 3 361.511 2.041 40 0 FEABHN CC(=O)N1CCn2c(nnc2C2CCN(Cc3cccc(C)c3)CC2)C1 ZINC000072372091 541802104 /nfs/dbraw/zinc/80/21/04/541802104.db2.gz ZWGGEPHZKSYOJM-UHFFFAOYSA-N 0 3 353.470 2.328 40 0 FEABHN COCCN1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228768 209140931 /nfs/dbraw/zinc/14/09/31/209140931.db2.gz HQFIBFVYWDQXRZ-OAQYLSRUSA-N 0 3 371.481 2.369 40 0 FEABHN Cc1nc(CN2CC[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1 ZINC000096224381 209139622 /nfs/dbraw/zinc/13/96/22/209139622.db2.gz DAJZANNMHSCLEG-GOSISDBHSA-N 0 3 359.499 2.200 40 0 FEABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)N4CCOCC4)C3)C2)c1 ZINC000096215699 209136242 /nfs/dbraw/zinc/13/62/42/209136242.db2.gz XEHCPFCRRNHVOP-OAQYLSRUSA-N 0 3 373.497 2.435 40 0 FEABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108768 209112788 /nfs/dbraw/zinc/11/27/88/209112788.db2.gz LBJXHRHQZDUFSE-IEBWSBKVSA-N 0 3 350.459 2.183 40 0 FEABHN O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050779 209102310 /nfs/dbraw/zinc/10/23/10/209102310.db2.gz CYLYVVAGTRHAQB-FQEVSTJZSA-N 0 3 351.406 2.439 40 0 FEABHN COc1ccc(CN2CCC3(CC2)C(=O)N(CC(C)C)CCN3C)cc1 ZINC000096050054 209102181 /nfs/dbraw/zinc/10/21/81/209102181.db2.gz QKBNKCPCLZSSSP-UHFFFAOYSA-N 0 3 359.514 2.460 40 0 FEABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096048076 209100369 /nfs/dbraw/zinc/10/03/69/209100369.db2.gz VLVHWXIIKGWBNV-IBGZPJMESA-N 0 3 355.486 2.071 40 0 FEABHN CN(C)C(=O)COC[C@@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096039752 209098967 /nfs/dbraw/zinc/09/89/67/209098967.db2.gz RUSLCUHAPSHNIG-AEFFLSMTSA-N 0 3 352.500 2.224 40 0 FEABHN Cc1ccc(CN2CCC3(C[C@@H](OCC(=O)N(C)C)CO3)CC2)s1 ZINC000096047827 209099881 /nfs/dbraw/zinc/09/98/81/209099881.db2.gz ATNKNIJBLPSKPB-OAHLLOKOSA-N 0 3 352.500 2.285 40 0 FEABHN CN(C)CCNc1nccc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329030765 132372909 /nfs/dbraw/zinc/37/29/09/132372909.db2.gz QGFVNZGUFWGDEX-UHFFFAOYSA-N 0 3 355.486 2.240 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000072348168 136144885 /nfs/dbraw/zinc/14/48/85/136144885.db2.gz KJIXZEHJTYWXJD-PTGCCPEKSA-N 0 3 360.502 2.216 40 0 FEABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1Cl ZINC000176960927 546514772 /nfs/dbraw/zinc/51/47/72/546514772.db2.gz NXZQHCCBLYMKNW-UHFFFAOYSA-N 0 3 374.890 2.281 40 0 FEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218410513 548686814 /nfs/dbraw/zinc/68/68/14/548686814.db2.gz WFMPCWCTXNIOTK-RTBURBONSA-N 0 3 358.507 2.401 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 ZINC000218575349 548687831 /nfs/dbraw/zinc/68/78/31/548687831.db2.gz IKTCSXCRBBOLAE-ZACQAIPSSA-N 0 3 350.871 2.244 40 0 FEABHN CC(C)CCN1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 ZINC000225465173 548734945 /nfs/dbraw/zinc/73/49/45/548734945.db2.gz VKGBHVQFDFKKKH-OAHLLOKOSA-N 0 3 353.532 2.039 40 0 biogenic,in-vitro FEABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000242718297 548886481 /nfs/dbraw/zinc/88/64/81/548886481.db2.gz XIHCLCRTZLATCX-ZACQAIPSSA-N 0 3 351.855 2.217 40 0 FEABHN NCC(=O)N1[C@H](c2cccc(C(F)(F)F)c2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257228667 549719858 /nfs/dbraw/zinc/71/98/58/549719858.db2.gz FUUJUJNSIYRTSR-ILXRZTDVSA-N 0 3 369.387 2.365 40 0 FEABHN Cc1cc(Nc2cc(C[C@H]3CCCN(C(=O)C(C)(C)N)C3)nc(C)n2)n[nH]1 ZINC000257307709 549726686 /nfs/dbraw/zinc/72/66/86/549726686.db2.gz SZXKVNACSBWPCZ-CQSZACIVSA-N 0 3 371.489 2.079 40 0 FEABHN CCOC[C@@H]1CCN(CC2CC2)C2(CN(c3cc(C)nc4ncnn43)C2)C1 ZINC000306124914 553748804 /nfs/dbraw/zinc/74/88/04/553748804.db2.gz CCAJFMOGPVMKEG-QGZVFWFLSA-N 0 3 370.501 2.150 40 0 FEABHN c1ccc(NC[C@H]2CO[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]23)nc1 ZINC000306131310 553749061 /nfs/dbraw/zinc/74/90/61/553749061.db2.gz KBFQUGBFDLFMMY-FRQCXROJSA-N 0 3 353.422 2.369 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306129751 553749075 /nfs/dbraw/zinc/74/90/75/553749075.db2.gz ILQSNCWFNJGINY-SJORKVTESA-N 0 3 374.448 2.230 40 0 FEABHN Cn1cc(-c2ccc3c(c2)O[C@H]2CN(C4CCC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289869 560031115 /nfs/dbraw/zinc/03/11/15/560031115.db2.gz PMPRIZXOARBQTH-MJGOQNOKSA-N 0 3 352.438 2.157 40 0 biogenic,in-vitro FEABHN CCOCCOc1ccc(CNC[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270527 570485102 /nfs/dbraw/zinc/48/51/02/570485102.db2.gz LTYXXXHNSTVGRX-NRFANRHFSA-N 0 3 371.481 2.228 40 0 FEABHN CC(=O)N1CCCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585288865 570495057 /nfs/dbraw/zinc/49/50/57/570495057.db2.gz KHUSJZIHTUQRFT-IPMKNSEASA-N 0 3 350.434 2.041 40 0 FEABHN CC(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc(Oc2ccccc2)cc1 ZINC000585294796 570506502 /nfs/dbraw/zinc/50/65/02/570506502.db2.gz KIDMANQTYVCZMO-MHTWAQMVSA-N 0 3 357.450 2.402 40 0 FEABHN Cc1ccc2nc(C(=O)N3CCO[C@H](c4cc(N)cc(C)n4)C3)cn2c1 ZINC000257335560 210003402 /nfs/dbraw/zinc/00/34/02/210003402.db2.gz YKRWLJHJIWKHMD-KRWDZBQOSA-N 0 3 351.410 2.142 40 0 FEABHN C[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019078835 539651613 /nfs/dbraw/zinc/65/16/13/539651613.db2.gz OHJRNECISALXGE-CXAGYDPISA-N 0 3 370.428 2.392 40 0 FEABHN Cc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019287719 539654626 /nfs/dbraw/zinc/65/46/26/539654626.db2.gz KGEIYZVEPHYQIF-KBXCAEBGSA-N 0 3 368.485 2.017 40 0 FEABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019500944 539658451 /nfs/dbraw/zinc/65/84/51/539658451.db2.gz KWAUXDRUIIMFQG-AEFFLSMTSA-N 0 3 371.529 2.093 40 0 FEABHN COc1cccc(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c1 ZINC000019587975 539661987 /nfs/dbraw/zinc/66/19/87/539661987.db2.gz QHXSWCWSPIRWRQ-MRXNPFEDSA-N 0 3 366.465 2.032 40 0 FEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n1 ZINC000019572853 539661997 /nfs/dbraw/zinc/66/19/97/539661997.db2.gz DFYMBFBQIDVHDA-CRAIPNDOSA-N 0 3 368.485 2.250 40 0 FEABHN Cc1ccc(CC(=O)N2CCc3nnc([C@@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709498 539666425 /nfs/dbraw/zinc/66/64/25/539666425.db2.gz NHEFOGRGUVSBMY-GOSISDBHSA-N 0 3 367.497 2.023 40 0 FEABHN COc1ccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590617 539663447 /nfs/dbraw/zinc/66/34/47/539663447.db2.gz GAYNDASTRHOXAW-INIZCTEOSA-N 0 3 366.465 2.032 40 0 FEABHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)[C@@H](O)c2ccc(O)cc2)c1 ZINC000040162338 540008538 /nfs/dbraw/zinc/00/85/38/540008538.db2.gz LHMBBLYSXFOQBR-ORPRQENYSA-N 0 3 359.422 2.046 40 0 FEABHN COC(=O)[C@@]12CC[C@]34CCCN5C[C@H](C(=O)C3)[C@@]1(c1ccccc1N2)[C@@H]54 ZINC000098214401 209207051 /nfs/dbraw/zinc/20/70/51/209207051.db2.gz DQJVZFCMYXOSQZ-HOUJDRPRSA-N 0 3 352.434 2.109 40 0 FEABHN CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339057 541800391 /nfs/dbraw/zinc/80/03/91/541800391.db2.gz LQNLFZZVNGUMCJ-XQJRBRMLSA-N 0 3 371.481 2.009 40 0 FEABHN CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 ZINC000072360911 541801823 /nfs/dbraw/zinc/80/18/23/541801823.db2.gz GLCFODNCUNIUDX-HNNXBMFYSA-N 0 3 354.458 2.157 40 0 FEABHN C[C@@H]1CCCCN1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373068 541801939 /nfs/dbraw/zinc/80/19/39/541801939.db2.gz PGKPIPGUSCGULC-SJORKVTESA-N 0 3 372.513 2.160 40 0 FEABHN COc1ccc(CN2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243984 209143465 /nfs/dbraw/zinc/14/34/65/209143465.db2.gz CKYJNYVVKFXLEU-HXUWFJFHSA-N 0 3 354.454 2.225 40 0 FEABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1ccccn1)CC2 ZINC000096240392 209142154 /nfs/dbraw/zinc/14/21/54/209142154.db2.gz ZVXVILNYTARZQK-GOSISDBHSA-N 0 3 353.470 2.379 40 0 FEABHN O=C(NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1)N1CCCC1 ZINC000096208323 209135251 /nfs/dbraw/zinc/13/52/51/209135251.db2.gz OMBLCTGTOZCXIN-UYAOXDASSA-N 0 3 358.486 2.401 40 0 FEABHN Cc1ccc2c(c1)C1(CN2C(=O)CN(C)C)CCN([C@@H]2CCOC2)CC1 ZINC000096160994 209127930 /nfs/dbraw/zinc/12/79/30/209127930.db2.gz JMYCTKOCGCXLSA-QGZVFWFLSA-N 0 3 357.498 2.026 40 0 FEABHN CC1CCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496855 220260302 /nfs/dbraw/zinc/26/03/02/220260302.db2.gz DKYNVAKOQJMIFI-KRWDZBQOSA-N 0 3 372.513 2.018 40 0 FEABHN CN1CCN(Cc2ccncc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000096050124 209102262 /nfs/dbraw/zinc/10/22/62/209102262.db2.gz WSPMBIGKSIWRPL-UHFFFAOYSA-N 0 3 370.522 2.452 40 0 FEABHN Cc1occc1C(=O)N1CC[C@@H]2OCCC[C@]2(COCCN(C)C)C1 ZINC000096039533 209098140 /nfs/dbraw/zinc/09/81/40/209098140.db2.gz GBBGCHHUUPUUDK-PKOBYXMFSA-N 0 3 350.459 2.178 40 0 FEABHN NCc1cn(-c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)cn1 ZINC000257205719 132294530 /nfs/dbraw/zinc/29/45/30/132294530.db2.gz BAIQGYNLWAVHLB-UHFFFAOYSA-N 0 3 361.449 2.293 40 0 FEABHN COc1ccc(OCC(=O)N2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000169296137 546159803 /nfs/dbraw/zinc/15/98/03/546159803.db2.gz KHWMYTSEJQOBMD-KSZLIROESA-N 0 3 356.466 2.430 40 0 FEABHN NCC1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218057825 548683156 /nfs/dbraw/zinc/68/31/56/548683156.db2.gz LKQRYSGABRKABZ-CVEARBPZSA-N 0 3 350.871 2.184 40 0 FEABHN NC[C@@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218428657 548686866 /nfs/dbraw/zinc/68/68/66/548686866.db2.gz XIHCLCRTZLATCX-YESZJQIVSA-N 0 3 351.855 2.217 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479315 548687535 /nfs/dbraw/zinc/68/75/35/548687535.db2.gz HQWCVMQDADPXSM-WSTZPKSXSA-N 0 3 373.474 2.443 40 0 FEABHN NCC1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218550912 548687650 /nfs/dbraw/zinc/68/76/50/548687650.db2.gz CAUHBBBAZUMRKN-JKSUJKDBSA-N 0 3 368.861 2.323 40 0 FEABHN COC[C@H]1CN(C(C)=O)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000247941866 549393529 /nfs/dbraw/zinc/39/35/29/549393529.db2.gz NMBQWSJAMFAHII-QGZVFWFLSA-N 0 3 360.454 2.122 40 0 FEABHN Cn1cc(CN2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)cn1 ZINC000257203793 549717743 /nfs/dbraw/zinc/71/77/43/549717743.db2.gz ARQHMUIIHQZHTI-OAHLLOKOSA-N 0 3 364.457 2.198 40 0 FEABHN Cc1cn(C)c([C@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 ZINC000257212516 549719130 /nfs/dbraw/zinc/71/91/30/549719130.db2.gz CDUITSRZIKCFRH-KRWDZBQOSA-N 0 3 355.486 2.352 40 0 FEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)c1 ZINC000257241860 549721116 /nfs/dbraw/zinc/72/11/16/549721116.db2.gz HZXXRCSQPKHFQW-KRWDZBQOSA-N 0 3 353.426 2.313 40 0 FEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 ZINC000257264821 549723152 /nfs/dbraw/zinc/72/31/52/549723152.db2.gz LWCULIZCYNCHRH-SFHVURJKSA-N 0 3 357.458 2.033 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)s1 ZINC000306123065 553748467 /nfs/dbraw/zinc/74/84/67/553748467.db2.gz ADUNTFWRRBNTIT-CGTJXYLNSA-N 0 3 357.479 2.328 40 0 FEABHN CN1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)N2CCCC2)C1 ZINC000306128163 553748680 /nfs/dbraw/zinc/74/86/80/553748680.db2.gz GSOWVZZFIBRYOF-KRWDZBQOSA-N 0 3 350.466 2.413 40 0 FEABHN Cc1cccc(CNc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c1 ZINC000329012602 553864537 /nfs/dbraw/zinc/86/45/37/553864537.db2.gz MKYIXYYAYFMRMY-UHFFFAOYSA-N 0 3 353.392 2.233 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccncc2)n1 ZINC000329035447 553868576 /nfs/dbraw/zinc/86/85/76/553868576.db2.gz REYPTBOTDQZWKJ-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CC(C)CCN1CCC[C@@]2(CC(C(=O)NCc3cscn3)=NO2)C1 ZINC000585101115 571221907 /nfs/dbraw/zinc/22/19/07/571221907.db2.gz FEVKRBFCRMZZDS-QGZVFWFLSA-N 0 3 350.488 2.416 40 0 FEABHN Cc1nc(C)c(CN2CCC[C@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)s1 ZINC000585099458 571221914 /nfs/dbraw/zinc/22/19/14/571221914.db2.gz LIEVTIYOJKCZPL-LJQANCHMSA-N 0 3 372.494 2.088 40 0 FEABHN C[C@@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104067 571222581 /nfs/dbraw/zinc/22/25/81/571222581.db2.gz IJJQGTCMGCUXOO-OXJNMPFZSA-N 0 3 352.438 2.293 40 0 FEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 ZINC000257215650 209966169 /nfs/dbraw/zinc/96/61/69/209966169.db2.gz CRAKDSQACVPUNS-SFHVURJKSA-N 0 3 357.458 2.447 40 0 FEABHN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019078828 539651195 /nfs/dbraw/zinc/65/11/95/539651195.db2.gz LCSSFCCCGUEILS-ACJLOTCBSA-N 0 3 370.428 2.392 40 0 FEABHN O=C(COc1ccc(F)cc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019293078 539655494 /nfs/dbraw/zinc/65/54/94/539655494.db2.gz QSOSSONCTAOYJD-MRXNPFEDSA-N 0 3 374.391 2.143 40 0 FEABHN Cc1cn(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)nn1 ZINC000019238758 539653879 /nfs/dbraw/zinc/65/38/79/539653879.db2.gz SLUJPTNZFMETQM-SFHLNBCPSA-N 0 3 367.497 2.456 40 0 FEABHN COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019554182 539659139 /nfs/dbraw/zinc/65/91/39/539659139.db2.gz QFNDMHSAFGSDIA-INIZCTEOSA-N 0 3 366.465 2.080 40 0 FEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 ZINC000019583117 539662125 /nfs/dbraw/zinc/66/21/25/539662125.db2.gz ACCULMZEOJPXSG-INIZCTEOSA-N 0 3 355.486 2.499 40 0 FEABHN CN1CCc2nc([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ncc2C1 ZINC000019590615 539663665 /nfs/dbraw/zinc/66/36/65/539663665.db2.gz OBQWIPYVJMKTNV-HNNXBMFYSA-N 0 3 354.429 2.162 40 0 FEABHN CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1nonc1N ZINC000019712920 539667397 /nfs/dbraw/zinc/66/73/97/539667397.db2.gz QREFAYKUMFHUGA-ZACQAIPSSA-N 0 3 369.469 2.352 40 0 FEABHN CCCC[C@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 ZINC000020140194 539672729 /nfs/dbraw/zinc/67/27/29/539672729.db2.gz FYMINBFSDHWSQQ-QGZVFWFLSA-N 0 3 350.511 2.111 40 0 FEABHN CN1CCN(CC(C)(C)CN2CCC(O)(c3ccc(F)cc3)CC2)CC1 ZINC000022588777 539696354 /nfs/dbraw/zinc/69/63/54/539696354.db2.gz UJMSAZZOXCCXCQ-UHFFFAOYSA-N 0 3 363.521 2.383 40 0 FEABHN Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108531074 209288924 /nfs/dbraw/zinc/28/89/24/209288924.db2.gz LSFQFOHLKCPYJP-NVXWUHKLSA-N 0 3 352.429 2.326 40 0 FEABHN Cn1nccc1CN1CCC[C@]2(CCN(Cc3cccnc3)C2=O)CC1 ZINC000108526507 209288951 /nfs/dbraw/zinc/28/89/51/209288951.db2.gz IKQNUJGJYSGJMS-HXUWFJFHSA-N 0 3 353.470 2.220 40 0 FEABHN Cn1nccc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108532883 209288619 /nfs/dbraw/zinc/28/86/19/209288619.db2.gz PAAPQWNEJHDVMJ-NVXWUHKLSA-N 0 3 352.429 2.326 40 0 FEABHN Cc1ccc(F)cc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 ZINC000108528769 209288476 /nfs/dbraw/zinc/28/84/76/209288476.db2.gz ACQHBQYWZJXPOU-QGZVFWFLSA-N 0 3 370.490 2.197 40 0 FEABHN Cc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)c1 ZINC000108532436 209288067 /nfs/dbraw/zinc/28/80/67/209288067.db2.gz SMPSXXWJMNCINU-MRXNPFEDSA-N 0 3 370.490 2.197 40 0 FEABHN Cn1cncc1CN1CCC[C@@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108535364 209289808 /nfs/dbraw/zinc/28/98/08/209289808.db2.gz STKMNJNNGVINAS-FQEVSTJZSA-N 0 3 360.502 2.051 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)CC1 ZINC000100747533 209218010 /nfs/dbraw/zinc/21/80/10/209218010.db2.gz SZBLOSCEKWJJPF-INMHGKMJSA-N 0 3 358.486 2.034 40 0 FEABHN Cc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072379220 541803516 /nfs/dbraw/zinc/80/35/16/541803516.db2.gz ROKVBQFROGYTBZ-QGZVFWFLSA-N 0 3 353.470 2.378 40 0 FEABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245438 209145196 /nfs/dbraw/zinc/14/51/96/209145196.db2.gz YTPNYQLNUVYSTH-GASCZTMLSA-N 0 3 350.846 2.183 40 0 FEABHN COc1ccc(CN2C[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]3C2=O)cc1 ZINC000096245351 209144977 /nfs/dbraw/zinc/14/49/77/209144977.db2.gz MJMVLEGAIJSOHM-LPHOPBHVSA-N 0 3 355.438 2.390 40 0 FEABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245452 209144393 /nfs/dbraw/zinc/14/43/93/209144393.db2.gz TYKNIRJSZZHQSM-GJZGRUSLSA-N 0 3 350.846 2.183 40 0 FEABHN Cc1nnc(NC[C@@H]2CO[C@]3(C2)COCCN(Cc2ccccc2)C3)o1 ZINC000096240592 209142884 /nfs/dbraw/zinc/14/28/84/209142884.db2.gz LFMSMGHBGWJXEK-MJGOQNOKSA-N 0 3 358.442 2.098 40 0 FEABHN Cn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3cccnc3)CC2)cn1 ZINC000096218024 209137287 /nfs/dbraw/zinc/13/72/87/209137287.db2.gz VZTSCJAGKMPQRA-FQEVSTJZSA-N 0 3 353.470 2.362 40 0 FEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)Nc1cccnc1 ZINC000096208933 209136626 /nfs/dbraw/zinc/13/66/26/209136626.db2.gz KTOQNUDLHFSAQW-BHIYHBOVSA-N 0 3 352.438 2.342 40 0 FEABHN Cc1ccc(C2(CN3CCC(NC(=O)CN4CCCC4=O)CC3)CC2)cc1 ZINC000012337263 207363834 /nfs/dbraw/zinc/36/38/34/207363834.db2.gz KMEUJMDDOPZXNC-UHFFFAOYSA-N 0 3 369.509 2.230 40 0 FEABHN Cc1ccc(CN2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)s1 ZINC000096056401 209104917 /nfs/dbraw/zinc/10/49/17/209104917.db2.gz CGPWPXQKKIQOSJ-DJIMGWMZSA-N 0 3 352.500 2.283 40 0 FEABHN COc1ccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)CC[C@@H]3C2)cc1 ZINC000096054157 209102489 /nfs/dbraw/zinc/10/24/89/209102489.db2.gz JLTMKHICYVSCSX-IAGOWNOFSA-N 0 3 352.438 2.079 40 0 FEABHN COc1ccc(CN2CCC3(C[C@H](N4CCN(C)CC4)CO3)CC2)cc1 ZINC000096048849 209103138 /nfs/dbraw/zinc/10/31/38/209103138.db2.gz DAKDBSZSXOOEKK-IBGZPJMESA-N 0 3 359.514 2.066 40 0 FEABHN CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096039753 209097361 /nfs/dbraw/zinc/09/73/61/209097361.db2.gz RUSLCUHAPSHNIG-SJLPKXTDSA-N 0 3 352.500 2.224 40 0 FEABHN COc1ccc(NCc2n[nH]c([C@H](N)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533828 542983009 /nfs/dbraw/zinc/98/30/09/542983009.db2.gz DGJAOJAGIJOPKI-GOSISDBHSA-N 0 3 369.425 2.491 40 0 FEABHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000331796221 330201643 /nfs/dbraw/zinc/20/16/43/330201643.db2.gz IQYXPNFCOJZSGN-IPELMVKDSA-N 0 3 372.513 2.426 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218000906 548684165 /nfs/dbraw/zinc/68/41/65/548684165.db2.gz FMUNLIWMPFARMS-IUODEOHRSA-N 0 3 360.863 2.108 40 0 FEABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C(C)C)CC2)cs1 ZINC000225466184 548735428 /nfs/dbraw/zinc/73/54/28/548735428.db2.gz XJRMTDQLHFYXCY-OAHLLOKOSA-N 0 3 353.532 2.446 40 0 biogenic,in-vitro FEABHN COCCN1C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@]2(c2ccccc2)C1 ZINC000247831767 549385690 /nfs/dbraw/zinc/38/56/90/549385690.db2.gz HSYMUKXLXUKNHH-NQIIRXRSSA-N 0 3 353.466 2.377 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@H]43)n2)C[C@@H](C)O1 ZINC000253603375 549698355 /nfs/dbraw/zinc/69/83/55/549698355.db2.gz KJIXZEHJTYWXJD-YRGVVPAESA-N 0 3 360.502 2.216 40 0 FEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccc4c(c3)OCO4)CCO2)c1 ZINC000257311646 549726453 /nfs/dbraw/zinc/72/64/53/549726453.db2.gz UKLJEPZTVLLXFB-SFHVURJKSA-N 0 3 355.394 2.374 40 0 FEABHN CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000257313973 549727461 /nfs/dbraw/zinc/72/74/61/549727461.db2.gz UUWOBJAACZDNEY-HXUWFJFHSA-N 0 3 374.460 2.288 40 0 FEABHN CN(C)CCNc1nc(Nc2cc(F)ccc2F)cc(-c2ccncc2)n1 ZINC000328968916 553855823 /nfs/dbraw/zinc/85/58/23/553855823.db2.gz DBHFEBWYPKIUHO-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CN(CC(=O)N1CC[C@](O)(COc2cccc(F)c2)C1)C1CCCC1 ZINC000585277415 570489476 /nfs/dbraw/zinc/48/94/76/570489476.db2.gz UJMLLFMQNIITKV-LJQANCHMSA-N 0 3 350.434 2.042 40 0 FEABHN Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NCc2cccnc2)C1 ZINC000503844438 570638194 /nfs/dbraw/zinc/63/81/94/570638194.db2.gz WGLWXJAFGZPALI-QUCCMNQESA-N 0 3 353.470 2.124 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103585 571222471 /nfs/dbraw/zinc/22/24/71/571222471.db2.gz HNEUMEMGYIVLCC-RBUKOAKNSA-N 0 3 358.482 2.073 40 0 FEABHN O=C(c1ccccc1)N1CCC2(CO[C@@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585103478 571223403 /nfs/dbraw/zinc/22/34/03/571223403.db2.gz GQQNMEYXRSGOGW-RTBURBONSA-N 0 3 358.482 2.155 40 0 FEABHN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585104802 571224096 /nfs/dbraw/zinc/22/40/96/571224096.db2.gz SXCSDAYVAQCTNP-RTBURBONSA-N 0 3 372.509 2.327 40 0 FEABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21)C1CC(O)C1 ZINC000585109605 571224958 /nfs/dbraw/zinc/22/49/58/571224958.db2.gz CYOHBEUELUOSJL-ORMRTKFESA-N 0 3 363.461 2.239 40 0 FEABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004133558 539377683 /nfs/dbraw/zinc/37/76/83/539377683.db2.gz FEUZNOOIGPUVLZ-UHFFFAOYSA-N 0 3 360.527 2.403 40 0 FEABHN Cn1cc(CN2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)cn1 ZINC000257250660 209977467 /nfs/dbraw/zinc/97/74/67/209977467.db2.gz JNLLRQUSQSMIBH-UHFFFAOYSA-N 0 3 364.457 2.198 40 0 FEABHN CC(C)n1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cn1 ZINC000019454869 539657384 /nfs/dbraw/zinc/65/73/84/539657384.db2.gz ORLJPAPNGIULJT-UHFFFAOYSA-N 0 3 368.485 2.262 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CCN(C4CCCC4)CC3)n2)C[C@H](C)O1 ZINC000019497700 539658204 /nfs/dbraw/zinc/65/82/04/539658204.db2.gz ZVFPYESHZVWJOM-CALCHBBNSA-N 0 3 359.518 2.150 40 0 FEABHN COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019554179 539659506 /nfs/dbraw/zinc/65/95/06/539659506.db2.gz QFNDMHSAFGSDIA-MRXNPFEDSA-N 0 3 366.465 2.080 40 0 FEABHN COc1ccc(C2(CN3CCC(NC(=O)[C@H]4CCCO4)CC3)CC2)cc1 ZINC000019553640 539659938 /nfs/dbraw/zinc/65/99/38/539659938.db2.gz IITARMMNHWNTGG-LJQANCHMSA-N 0 3 358.482 2.486 40 0 FEABHN COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)n1 ZINC000019594308 539663109 /nfs/dbraw/zinc/66/31/09/539663109.db2.gz NETSNZVVXFHVDJ-HNNXBMFYSA-N 0 3 373.453 2.313 40 0 FEABHN CN1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4)C3)ncc2C1 ZINC000019590409 539663388 /nfs/dbraw/zinc/66/33/88/539663388.db2.gz CPGXHUGAHZSAOY-INIZCTEOSA-N 0 3 366.465 2.250 40 0 FEABHN CC1CCN([C@@H](CNC(=O)c2cccn3nnnc23)c2ccccc2)CC1 ZINC000019654941 539664609 /nfs/dbraw/zinc/66/46/09/539664609.db2.gz OUQCTZGZNZDLJL-SFHVURJKSA-N 0 3 364.453 2.327 40 0 FEABHN O=C1CO[C@](c2nccs2)(C2CCN(Cc3ccccc3)CC2)CN1 ZINC000019696651 539665246 /nfs/dbraw/zinc/66/52/46/539665246.db2.gz QBXZJANUYSOJBK-IBGZPJMESA-N 0 3 357.479 2.397 40 0 FEABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)COC(C)C)n1 ZINC000019698249 539665272 /nfs/dbraw/zinc/66/52/72/539665272.db2.gz NAGKVICTNQWQBA-LJQANCHMSA-N 0 3 360.502 2.230 40 0 FEABHN O=CN1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000022913724 539702756 /nfs/dbraw/zinc/70/27/56/539702756.db2.gz KEHROJDCBHMIJP-UHFFFAOYSA-N 0 3 363.461 2.159 40 0 FEABHN COC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057721639 540811874 /nfs/dbraw/zinc/81/18/74/540811874.db2.gz ICHCTNHHJDBSAQ-GOSISDBHSA-N 0 3 373.453 2.399 40 0 FEABHN COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000057721639 540811876 /nfs/dbraw/zinc/81/18/76/540811876.db2.gz ICHCTNHHJDBSAQ-GOSISDBHSA-N 0 3 373.453 2.399 40 0 FEABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3cnccn3)C2)CC1 ZINC000108525203 209289224 /nfs/dbraw/zinc/28/92/24/209289224.db2.gz FSUXWZGOPXNCGA-UHFFFAOYSA-N 0 3 357.483 2.416 40 0 FEABHN CNC(=O)[C@@]12CCC3(CCN(Cc4ccc(C)o4)CC3)[C@@H]1CN(C(C)=O)C2 ZINC000097952828 209200251 /nfs/dbraw/zinc/20/02/51/209200251.db2.gz CIUGHHZWFNFWCF-GHTZIAJQSA-N 0 3 373.497 2.175 40 0 FEABHN COC[C@H]1CC2(CN1S(C)(=O)=O)CCN(Cc1cccs1)CC2 ZINC000096208606 209136354 /nfs/dbraw/zinc/13/63/54/209136354.db2.gz QPOFGKTYISLBCX-CQSZACIVSA-N 0 3 358.529 2.011 40 0 FEABHN CCOC[C@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1C ZINC000096207574 209134492 /nfs/dbraw/zinc/13/44/92/209134492.db2.gz DTBOIVCZKWYSJK-MRXNPFEDSA-N 0 3 352.500 2.341 40 0 FEABHN Cn1cc(CN2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)cn1 ZINC000096207587 209134594 /nfs/dbraw/zinc/13/45/94/209134594.db2.gz HXOIYMIYMPYSFN-LJQANCHMSA-N 0 3 356.470 2.403 40 0 FEABHN CC(C)N(C)Cc1n[nH]c2c1CCN(S(=O)(=O)c1cccs1)C2 ZINC000096084104 209109324 /nfs/dbraw/zinc/10/93/24/209109324.db2.gz ZBQYUMYNOWGJFM-UHFFFAOYSA-N 0 3 354.501 2.058 40 0 FEABHN COc1ccccc1CCC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019569889 207684580 /nfs/dbraw/zinc/68/45/80/207684580.db2.gz FQEABXPCGZXADK-GOSISDBHSA-N 0 3 366.465 2.427 40 0 FEABHN COc1ccc(CN2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)cc1 ZINC000096057675 209105515 /nfs/dbraw/zinc/10/55/15/209105515.db2.gz PGMOZKQNDBSGOA-QXAKKESOSA-N 0 3 360.454 2.229 40 0 FEABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096056122 209104779 /nfs/dbraw/zinc/10/47/79/209104779.db2.gz KVEIMEWFWRLPCC-RXVVDRJESA-N 0 3 368.481 2.481 40 0 FEABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@@H]21 ZINC000096043509 209099314 /nfs/dbraw/zinc/09/93/14/209099314.db2.gz DQVYHAHQWIXZRT-GUDVDZBRSA-N 0 3 352.438 2.342 40 0 FEABHN Cc1nc(NCCCO)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329043812 132372837 /nfs/dbraw/zinc/37/28/37/132372837.db2.gz SVBQWMQFXOBGFP-UHFFFAOYSA-N 0 3 356.470 2.369 40 0 FEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000119900972 543673288 /nfs/dbraw/zinc/67/32/88/543673288.db2.gz IYKFQEVNVMPIOZ-NSHDSACASA-N 0 3 372.238 2.127 40 0 FEABHN Cc1cc(OCC(=O)NCCCN2CCN(C)CC2)cc(C)c1Cl ZINC000157172997 545708635 /nfs/dbraw/zinc/70/86/35/545708635.db2.gz FCIMUXDJKDMVJP-UHFFFAOYSA-N 0 3 353.894 2.089 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035135 548683526 /nfs/dbraw/zinc/68/35/26/548683526.db2.gz MKBAIRRQJRJAHB-JENIJYKNSA-N 0 3 359.447 2.135 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218034900 548683778 /nfs/dbraw/zinc/68/37/78/548683778.db2.gz MKBAIRRQJRJAHB-AOIWGVFYSA-N 0 3 359.447 2.135 40 0 FEABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218586814 548688587 /nfs/dbraw/zinc/68/85/87/548688587.db2.gz CPCIUZYFGZHWEX-RLFYNMQTSA-N 0 3 368.499 2.118 40 0 FEABHN COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223261498 548718522 /nfs/dbraw/zinc/71/85/22/548718522.db2.gz MWEJTEVXLWZUMI-MSOLQXFVSA-N 0 3 373.526 2.064 40 0 FEABHN Cc1nn(C)c(C)c1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257274762 549723355 /nfs/dbraw/zinc/72/33/55/549723355.db2.gz NMMVYHANXAUBII-MRXNPFEDSA-N 0 3 351.458 2.392 40 0 FEABHN CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3ccncc3)[C@@H]2C1 ZINC000257310875 549726786 /nfs/dbraw/zinc/72/67/86/549726786.db2.gz UGZNCYDSZIWMCF-CBPXPLCBSA-N 0 3 365.477 2.279 40 0 FEABHN Cc1ccsc1CN1C[C@@H](c2ccnn2C(C)C)[C@@]2(C1)OCCNC2=O ZINC000306132856 553749446 /nfs/dbraw/zinc/74/94/46/553749446.db2.gz LUMPORMAZUTBBB-HNAYVOBHSA-N 0 3 374.510 2.319 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306140037 553750211 /nfs/dbraw/zinc/75/02/11/553750211.db2.gz UHZNTWWLIZXWRK-CABCVRRESA-N 0 3 373.888 2.374 40 0 FEABHN CN(C)C(=O)[C@]1(C)CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCO1 ZINC000585283217 570493076 /nfs/dbraw/zinc/49/30/76/570493076.db2.gz LYWDLUSBLZDLNX-SESVDKBCSA-N 0 3 360.498 2.254 40 0 FEABHN CCc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCCN(C)C)n1 ZINC000329004411 571134597 /nfs/dbraw/zinc/13/45/97/571134597.db2.gz KSEZGSFBRQJENN-OAHLLOKOSA-N 0 3 369.513 2.629 40 0 FEABHN C[C@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104069 571222770 /nfs/dbraw/zinc/22/27/70/571222770.db2.gz IJJQGTCMGCUXOO-OXQOHEQNSA-N 0 3 352.438 2.293 40 0 FEABHN CN(C)C(=O)COCC[C@H]1CCOC12CCN(Cc1ccco1)CC2 ZINC000585104334 571223046 /nfs/dbraw/zinc/22/30/46/571223046.db2.gz HFBJXPIHUSAOJG-INIZCTEOSA-N 0 3 350.459 2.146 40 0 FEABHN CN1CCC(C(=O)NC[C@@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585111919 571225805 /nfs/dbraw/zinc/22/58/05/571225805.db2.gz JGBJXUBMYODUNJ-IBGZPJMESA-N 0 3 368.481 2.003 40 0 FEABHN CCOC(=O)c1c2c(sc1N1C(=O)C3C4C=CC(O4)C3C1=O)CCCC2 ZINC000000635223 539331538 /nfs/dbraw/zinc/33/15/38/539331538.db2.gz ZOFLTUFFHFAUGT-AGCIHXOGSA-N 0 3 373.430 2.246 40 0 FEABHN Cc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019209493 539652222 /nfs/dbraw/zinc/65/22/22/539652222.db2.gz GUNWCTGUTRIGEX-KRWDZBQOSA-N 0 3 350.466 2.379 40 0 FEABHN CC(C)(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)[nH]n1 ZINC000019083678 539651408 /nfs/dbraw/zinc/65/14/08/539651408.db2.gz IZQKPEPBMQQSBZ-AWEZNQCLSA-N 0 3 354.458 2.120 40 0 FEABHN CCOC(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019529450 539660032 /nfs/dbraw/zinc/66/00/32/539660032.db2.gz VEIGSMDGGYKDCV-OAHLLOKOSA-N 0 3 360.454 2.246 40 0 FEABHN CN(C)c1ccc(C(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)cc1 ZINC000019588007 539663132 /nfs/dbraw/zinc/66/31/32/539663132.db2.gz GDGZIJVETDVEPV-MRXNPFEDSA-N 0 3 365.481 2.160 40 0 FEABHN c1nc2nc(COc3ccc4ccccc4c3)cc(N3CCNCC3)n2n1 ZINC000019927115 539670903 /nfs/dbraw/zinc/67/09/03/539670903.db2.gz CGAZKHKPPCEJOG-UHFFFAOYSA-N 0 3 360.421 2.266 40 0 FEABHN Cn1cncc1CN1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108535360 209289530 /nfs/dbraw/zinc/28/95/30/209289530.db2.gz STKMNJNNGVINAS-HXUWFJFHSA-N 0 3 360.502 2.051 40 0 FEABHN Cc1ccc(CN2CCC[C@]3(C[C@H](OCC(=O)N(C)C)CO3)C2)s1 ZINC000096206179 209134469 /nfs/dbraw/zinc/13/44/69/209134469.db2.gz TUYSUBUUTAOGDS-YJBOKZPZSA-N 0 3 352.500 2.285 40 0 FEABHN Cc1ccc(CN2CC[C@@]3(C2)CCC[C@@H](CNS(C)(=O)=O)O3)s1 ZINC000096207129 209133912 /nfs/dbraw/zinc/13/39/12/209133912.db2.gz DNPLATDKGWQLKJ-GOEBONIOSA-N 0 3 358.529 2.119 40 0 FEABHN Cc1cccc(CN2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)c1 ZINC000096108097 209113134 /nfs/dbraw/zinc/11/31/34/209113134.db2.gz ZZJFTFUXLCVJKY-SJLPKXTDSA-N 0 3 357.479 2.425 40 0 FEABHN C[C@H]1CCc2c(sc3ncn(C4CCN(CCC(N)=O)CC4)c(=O)c32)C1 ZINC000012145486 207341830 /nfs/dbraw/zinc/34/18/30/207341830.db2.gz MPNXSMHGKYHSLH-LBPRGKRZSA-N 0 3 374.510 2.095 40 0 FEABHN Cc1ccc(=O)n(CC2(O)C[C@H]3CC[C@@H](C2)N3Cc2ccccc2F)n1 ZINC000012366047 207366475 /nfs/dbraw/zinc/36/64/75/207366475.db2.gz XDCMGZWZOQIKEO-XEWABKELSA-N 0 3 357.429 2.249 40 0 FEABHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1F ZINC000030752986 208004682 /nfs/dbraw/zinc/00/46/82/208004682.db2.gz QHRKRWOWFIYQKZ-OKILXGFUSA-N 0 3 358.479 2.481 40 0 FEABHN Cn1cc(CN2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cn1 ZINC000096052250 209102059 /nfs/dbraw/zinc/10/20/59/209102059.db2.gz CIAXWVMGMAIZCW-SFHVURJKSA-N 0 3 354.454 2.287 40 0 FEABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000096006250 209094508 /nfs/dbraw/zinc/09/45/08/209094508.db2.gz YAEGOCRGHSESFI-UHFFFAOYSA-N 0 3 353.488 2.054 40 0 FEABHN Cc1nc(N[C@H](C)CO)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329057180 132373012 /nfs/dbraw/zinc/37/30/12/132373012.db2.gz VVJDOZBPZYNGME-CYBMUJFWSA-N 0 3 356.470 2.368 40 0 FEABHN NCC1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000218550835 548687823 /nfs/dbraw/zinc/68/78/23/548687823.db2.gz CAUHBBBAZUMRKN-HZPDHXFCSA-N 0 3 368.861 2.323 40 0 FEABHN NC[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218608064 548688654 /nfs/dbraw/zinc/68/86/54/548688654.db2.gz QMKUWWLTFYZCKQ-IXDOHACOSA-N 0 3 369.845 2.356 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000242548250 548887158 /nfs/dbraw/zinc/88/71/58/548887158.db2.gz LFLHUJWIIGKJIL-XJKCOSOUSA-N 0 3 374.890 2.073 40 0 FEABHN Cc1cn(C)c([C@@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)n1 ZINC000257212517 549718520 /nfs/dbraw/zinc/71/85/20/549718520.db2.gz CDUITSRZIKCFRH-QGZVFWFLSA-N 0 3 355.486 2.352 40 0 FEABHN CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)c1 ZINC000257327164 549727739 /nfs/dbraw/zinc/72/77/39/549727739.db2.gz XAGRMJDYPOFELX-KRWDZBQOSA-N 0 3 353.488 2.468 40 0 FEABHN O=C(NC[C@H]1CO[C@@H]2CN(Cc3cccs3)C[C@H]12)C1CC(F)(F)C1 ZINC000306123489 553748167 /nfs/dbraw/zinc/74/81/67/553748167.db2.gz AOTMVPQOQYUENS-NWANDNLSSA-N 0 3 356.438 2.356 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306124366 553748207 /nfs/dbraw/zinc/74/82/07/553748207.db2.gz BNPLARKLEQLRQW-KGLIPLIRSA-N 0 3 371.872 2.128 40 0 FEABHN COc1ccc(-c2n[nH]c3c2C[C@H](C(=O)NCCN2CCCC2)CC3)cc1 ZINC000306128821 553749142 /nfs/dbraw/zinc/74/91/42/553749142.db2.gz HLLPYRYLJKUMCM-MRXNPFEDSA-N 0 3 368.481 2.402 40 0 FEABHN Cc1nnsc1C(=O)N[C@@H]1CCCC[C@@]12CN(CC(C)C)CCO2 ZINC000306138012 553750588 /nfs/dbraw/zinc/75/05/88/553750588.db2.gz RMPBTZSXHQRNAO-RHSMWYFYSA-N 0 3 352.504 2.246 40 0 FEABHN COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cnc(C)nc23)cc1 ZINC000306141644 553751059 /nfs/dbraw/zinc/75/10/59/553751059.db2.gz WCULLMWADKPNTP-UHFFFAOYSA-N 0 3 366.465 2.413 40 0 FEABHN CCCCN1CC[C@]2(C1)COCc1cnc(NCc3cncn3C)nc12 ZINC000306142465 553751263 /nfs/dbraw/zinc/75/12/63/553751263.db2.gz WZUIZMFTKIKYIL-IBGZPJMESA-N 0 3 356.474 2.096 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306145155 553751486 /nfs/dbraw/zinc/75/14/86/553751486.db2.gz ZZTFJWBULFUDFI-GJZGRUSLSA-N 0 3 369.444 2.004 40 0 FEABHN COc1cccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c1 ZINC000329007722 553863431 /nfs/dbraw/zinc/86/34/31/553863431.db2.gz LNJRUCFZTGFEGE-UHFFFAOYSA-N 0 3 364.453 2.108 40 0 FEABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514288516 560034950 /nfs/dbraw/zinc/03/49/50/560034950.db2.gz BVQZNRDKSDQTCP-FCHUYYIVSA-N 0 3 363.505 2.192 40 0 biogenic,in-vitro FEABHN Cc1ccccc1OC[C@]1(O)CCN(Cc2cccc(OCCO)c2)C1 ZINC000585276173 570489046 /nfs/dbraw/zinc/48/90/46/570489046.db2.gz MPYALWKXGXBNMX-NRFANRHFSA-N 0 3 357.450 2.382 40 0 FEABHN CC(C)CCN1CCC[C@]2(CC(C(=O)NCc3cscn3)=NO2)C1 ZINC000585101114 571221878 /nfs/dbraw/zinc/22/18/78/571221878.db2.gz FEVKRBFCRMZZDS-KRWDZBQOSA-N 0 3 350.488 2.416 40 0 FEABHN OCCOc1cccc(CN2CCC(c3ccnc4ccnn43)CC2)c1 ZINC000257249322 209977627 /nfs/dbraw/zinc/97/76/27/209977627.db2.gz JHRLWUJIOIEECY-UHFFFAOYSA-N 0 3 352.438 2.480 40 0 FEABHN CC(=O)NCCn1nc([C@H]2CCN(CC3=CCCCC3)C2)c2nccnc21 ZINC000019021538 539650650 /nfs/dbraw/zinc/65/06/50/539650650.db2.gz AOHDXAWPCLRKCS-KRWDZBQOSA-N 0 3 368.485 2.252 40 0 FEABHN COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019566897 539660939 /nfs/dbraw/zinc/66/09/39/539660939.db2.gz OEGUTSNHRUHVEU-HNNXBMFYSA-N 0 3 368.437 2.117 40 0 FEABHN COc1cccc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)c1 ZINC000019565275 539661473 /nfs/dbraw/zinc/66/14/73/539661473.db2.gz WZXXZPUHTCUDMM-QGZVFWFLSA-N 0 3 350.426 2.408 40 0 FEABHN CC1CCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496854 539658594 /nfs/dbraw/zinc/65/85/94/539658594.db2.gz DKYNVAKOQJMIFI-QGZVFWFLSA-N 0 3 372.513 2.018 40 0 FEABHN Cc1ccc(-c2nnn(CC(=O)NCC(C)(C)N3CCCCC3)n2)cc1 ZINC000019661723 539664195 /nfs/dbraw/zinc/66/41/95/539664195.db2.gz VACVCLMXXXMMIH-UHFFFAOYSA-N 0 3 356.474 2.029 40 0 FEABHN CNCc1cc(NC)nc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019760388 539669367 /nfs/dbraw/zinc/66/93/67/539669367.db2.gz IIMFVTHFCVVRKK-MRXNPFEDSA-N 0 3 372.448 2.152 40 0 FEABHN NC[C@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218600173 209668235 /nfs/dbraw/zinc/66/82/35/209668235.db2.gz FZAWCYLHPHPMGY-IKGGRYGDSA-N 0 3 369.845 2.356 40 0 FEABHN CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000054360962 540585018 /nfs/dbraw/zinc/58/50/18/540585018.db2.gz JQLUUHCLQMEQQY-LCYFTJDESA-N 0 3 367.858 2.054 40 0 FEABHN O=C([C@H]1CCOC1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000107224541 209275042 /nfs/dbraw/zinc/27/50/42/209275042.db2.gz XYGRHSGZEDFHEY-RXVVDRJESA-N 0 3 358.482 2.416 40 0 FEABHN Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CCN(C[C@H]1CCOC1)C3 ZINC000100182225 209210356 /nfs/dbraw/zinc/21/03/56/209210356.db2.gz RFYDAUGPZYQNIN-CYBMUJFWSA-N 0 3 354.410 2.398 40 0 FEABHN CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ncccc3C)n2)C1 ZINC000072360910 541801903 /nfs/dbraw/zinc/80/19/03/541801903.db2.gz GLCFODNCUNIUDX-OAHLLOKOSA-N 0 3 354.458 2.157 40 0 FEABHN Cc1ccc2c(c1)CN(C(=O)[C@H](N)c1ccccc1)[C@@H](CN(C)C)CO2 ZINC000072395243 541803804 /nfs/dbraw/zinc/80/38/04/541803804.db2.gz QCKSAKOZTZDKTA-AZUAARDMSA-N 0 3 353.466 2.346 40 0 FEABHN CN(C(=O)CN1CCC[C@@H]1c1ccc2c(N)[nH]nc2n1)C1CCCCC1 ZINC000072374503 541802717 /nfs/dbraw/zinc/80/27/17/541802717.db2.gz AKDSNPKQZRSXKD-MRXNPFEDSA-N 0 3 356.474 2.468 40 0 FEABHN O=C(c1cc([C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380491 541803034 /nfs/dbraw/zinc/80/30/34/541803034.db2.gz LZKMSOGJXXWZDY-QGZVFWFLSA-N 0 3 354.454 2.262 40 0 FEABHN CN(Cc1ccccn1)[C@@H]1CO[C@@]2(C1)CCCN(Cc1cncn1C)C2 ZINC000096223492 209139675 /nfs/dbraw/zinc/13/96/75/209139675.db2.gz ZRMVIBAWNBUBOS-AZUAARDMSA-N 0 3 355.486 2.071 40 0 FEABHN O=C(NCC[C@@]12CCO[C@@H]1CCN(Cc1cccnc1)C2)N1CCCC1 ZINC000096215331 209135697 /nfs/dbraw/zinc/13/56/97/209135697.db2.gz GFOYTGXQAGPLIO-QUCCMNQESA-N 0 3 358.486 2.258 40 0 FEABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096218029 209137610 /nfs/dbraw/zinc/13/76/10/209137610.db2.gz DBGLTRJBEJQSDK-FQEVSTJZSA-N 0 3 353.470 2.362 40 0 FEABHN Cn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)cn1 ZINC000096218089 209137148 /nfs/dbraw/zinc/13/71/48/209137148.db2.gz WZQDYRMUUKGCST-HXUWFJFHSA-N 0 3 353.470 2.362 40 0 FEABHN O=S(=O)(N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1)c1ccccc1 ZINC000096207582 209134858 /nfs/dbraw/zinc/13/48/58/209134858.db2.gz CLMLFOXJGCDMOG-CRAIPNDOSA-N 0 3 350.484 2.141 40 0 FEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCc1cccnc1 ZINC000096208085 209134334 /nfs/dbraw/zinc/13/43/34/209134334.db2.gz ASAORKIWBLLBBR-RCCFBDPRSA-N 0 3 357.479 2.439 40 0 FEABHN CN(C[C@@H]1CCCN(Cc2ccccc2)C1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000019461280 220260880 /nfs/dbraw/zinc/26/08/80/220260880.db2.gz VJPLICXXVQSGRV-OALUTQOASA-N 0 3 350.528 2.408 40 0 FEABHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCC(C)CC2)cc1 ZINC000038772975 208206616 /nfs/dbraw/zinc/20/66/16/208206616.db2.gz CSSRNBXVQUQQQJ-UHFFFAOYSA-N 0 3 368.499 2.015 40 0 FEABHN O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 ZINC000096043499 209100213 /nfs/dbraw/zinc/10/02/13/209100213.db2.gz IUTLNPMGPVKHFB-BZUAXINKSA-N 0 3 358.467 2.404 40 0 FEABHN Cn1cc(CN2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cn1 ZINC000096037099 209098867 /nfs/dbraw/zinc/09/88/67/209098867.db2.gz DBRKIMDTXISINR-UHFFFAOYSA-N 0 3 362.481 2.378 40 0 FEABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)C1=CCCCC1)C2 ZINC000096039588 209097978 /nfs/dbraw/zinc/09/79/78/209097978.db2.gz LENVXRIJQVSSEP-ICSRJNTNSA-N 0 3 350.503 2.463 40 0 FEABHN COc1cc2c(cc1OC)CN(c1cc(NCCCO)nc(C)n1)CC2 ZINC000329059500 132373136 /nfs/dbraw/zinc/37/31/36/132373136.db2.gz WGXTZCXIROPCKA-UHFFFAOYSA-N 0 3 358.442 2.159 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000072348166 136144849 /nfs/dbraw/zinc/14/48/49/136144849.db2.gz KJIXZEHJTYWXJD-PTIUUAQKSA-N 0 3 360.502 2.216 40 0 FEABHN C[C@H](CNC(=O)[C@H](C)N1c2ccccc2O[C@H](C)C1=O)N1CCC(C)CC1 ZINC000019496773 263374524 /nfs/dbraw/zinc/37/45/24/263374524.db2.gz BFTNPJQMTMGDSF-IXDOHACOSA-N 0 3 373.497 2.426 40 0 FEABHN C[C@H](N)C(=O)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079413090 524817344 /nfs/dbraw/zinc/81/73/44/524817344.db2.gz JDFHDASWPBWTFQ-HNNXBMFYSA-N 0 3 359.470 2.373 40 0 FEABHN NCC1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000218391829 548686629 /nfs/dbraw/zinc/68/66/29/548686629.db2.gz GURRKONCLLDPSU-HZPDHXFCSA-N 0 3 350.871 2.184 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000247952046 549394484 /nfs/dbraw/zinc/39/44/84/549394484.db2.gz CFHWUVVSACMQLE-QWFCFKBJSA-N 0 3 350.503 2.319 40 0 FEABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cccn3C)C2)OC1 ZINC000248140396 549410722 /nfs/dbraw/zinc/41/07/22/549410722.db2.gz TZGUJIBDBYEYHV-SFHVURJKSA-N 0 3 368.481 2.173 40 0 FEABHN COc1ccc(CN2C[C@@H]3CN(C4CCOCC4)CCN3C(C)(C)C2)cc1 ZINC000253404002 549686361 /nfs/dbraw/zinc/68/63/61/549686361.db2.gz QTZYLCCDQKUGIJ-HXUWFJFHSA-N 0 3 373.541 2.455 40 0 biogenic,in-vitro FEABHN Cc1ccc(C[C@@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257220045 549719105 /nfs/dbraw/zinc/71/91/05/549719105.db2.gz DJHCQEKPPJACTC-KRWDZBQOSA-N 0 3 351.516 2.069 40 0 FEABHN CC(=O)NCc1cnc([C@H]2CN(Cc3cccc4[nH]ccc43)CCO2)[nH]1 ZINC000257309878 549726717 /nfs/dbraw/zinc/72/67/17/549726717.db2.gz UCTKYPMNJKCJSM-GOSISDBHSA-N 0 3 353.426 2.101 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@H]1C2 ZINC000306124905 553749118 /nfs/dbraw/zinc/74/91/18/553749118.db2.gz CBYLNNKMCSGWQL-CVEARBPZSA-N 0 3 374.448 2.230 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306144923 553751145 /nfs/dbraw/zinc/75/11/45/553751145.db2.gz ZSFOYVSJPUMEGN-UONOGXRCSA-N 0 3 371.872 2.128 40 0 FEABHN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)C1 ZINC000329018607 553865634 /nfs/dbraw/zinc/86/56/34/553865634.db2.gz LBWACHHFNGJSAC-RBUKOAKNSA-N 0 3 363.461 2.423 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccn2)n1 ZINC000329045966 553870554 /nfs/dbraw/zinc/87/05/54/553870554.db2.gz TYQGOTALWCUWHH-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cccc(F)c1 ZINC000585261603 570480507 /nfs/dbraw/zinc/48/05/07/570480507.db2.gz JBAQFQIKPIVOCQ-YRXWBPOGSA-N 0 3 358.413 2.067 40 0 FEABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2ccccc2)C1 ZINC000585285025 570494211 /nfs/dbraw/zinc/49/42/11/570494211.db2.gz NFNGYGIRSZKUIO-AZUAARDMSA-N 0 3 374.868 2.068 40 0 FEABHN Cc1cnc([N-]c2nccnc2[C@H]2CCCN2C(=O)/C=C/C[NH+](C)C)s1 ZINC000585292711 571134168 /nfs/dbraw/zinc/13/41/68/571134168.db2.gz RMOZECRPVRSYNE-HZRUHFOJSA-N 0 3 372.498 2.766 40 0 FEABHN Cc1ncoc1C(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(C)CC1 ZINC000585097588 571220599 /nfs/dbraw/zinc/22/05/99/571220599.db2.gz NAYOETDTTSEXBN-INIZCTEOSA-N 0 3 357.458 2.326 40 0 FEABHN CC(C)CCN1CCC[C@@]2(CC(C(=O)NCCCn3ccnc3)=NO2)C1 ZINC000585101337 571222221 /nfs/dbraw/zinc/22/22/21/571222221.db2.gz YVKDNIQOOQVDBP-LJQANCHMSA-N 0 3 361.490 2.046 40 0 FEABHN O=C(c1ccccc1)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104099 571222938 /nfs/dbraw/zinc/22/29/38/571222938.db2.gz LONILBWYEXVKEL-LJQANCHMSA-N 0 3 358.482 2.155 40 0 FEABHN Cc1cccc(C(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)c1 ZINC000585104930 571224232 /nfs/dbraw/zinc/22/42/32/571224232.db2.gz XNVZQCCNBSSHGR-FQEVSTJZSA-N 0 3 372.509 2.463 40 0 FEABHN CCc1ccccc1C(=O)N1CCC2(CO[C@H](CN3CC[C@@H](O)C3)C2)CC1 ZINC000585104795 571224250 /nfs/dbraw/zinc/22/42/50/571224250.db2.gz SXCSDAYVAQCTNP-MOPGFXCFSA-N 0 3 372.509 2.327 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585105157 571224401 /nfs/dbraw/zinc/22/44/01/571224401.db2.gz ZTMWIZONVWKJIH-PMACEKPBSA-N 0 3 372.509 2.463 40 0 FEABHN Cc1cccc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585105140 571224474 /nfs/dbraw/zinc/22/44/74/571224474.db2.gz ZEHCNKDCUHXQEF-WOJBJXKFSA-N 0 3 372.509 2.463 40 0 FEABHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NC(C)C)CC1(CCN(C)CC1)O2 ZINC000019218388 539652343 /nfs/dbraw/zinc/65/23/43/539652343.db2.gz ZFJYDZFOVMNCBA-MRXNPFEDSA-N 0 3 373.497 2.207 40 0 FEABHN CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC(O)CC2)C1 ZINC000019016951 539650474 /nfs/dbraw/zinc/65/04/74/539650474.db2.gz FDJFTGJDCXGSTJ-HNNXBMFYSA-N 0 3 356.470 2.246 40 0 FEABHN O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292352 539655111 /nfs/dbraw/zinc/65/51/11/539655111.db2.gz PEQAGKXRAIFZAN-KRWDZBQOSA-N 0 3 366.469 2.092 40 0 FEABHN COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1F ZINC000019559588 539661010 /nfs/dbraw/zinc/66/10/10/539661010.db2.gz XMCRZPCXUDUIPG-QGZVFWFLSA-N 0 3 370.428 2.176 40 0 FEABHN CN1CCc2nc([C@H]3CCN(C(=O)Cc4ccccc4F)C3)ncc2C1 ZINC000019590621 539663306 /nfs/dbraw/zinc/66/33/06/539663306.db2.gz GGJZUASEYNNQFM-HNNXBMFYSA-N 0 3 354.429 2.162 40 0 FEABHN COc1cccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590556 539663318 /nfs/dbraw/zinc/66/33/18/539663318.db2.gz ZTAGDIRHLILUKY-GOSISDBHSA-N 0 3 352.438 2.450 40 0 FEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)n1 ZINC000019572968 539662225 /nfs/dbraw/zinc/66/22/25/539662225.db2.gz YUAQQNHDHZQIGH-MAUKXSAKSA-N 0 3 368.485 2.250 40 0 FEABHN COc1ccc(CC(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)cc1 ZINC000019587969 539662355 /nfs/dbraw/zinc/66/23/55/539662355.db2.gz LJZWLZJYUAKIHD-INIZCTEOSA-N 0 3 366.465 2.032 40 0 FEABHN COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590452 539662714 /nfs/dbraw/zinc/66/27/14/539662714.db2.gz TZWLYBQABWRMCV-MRXNPFEDSA-N 0 3 366.465 2.493 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)s1 ZINC000108530698 209289255 /nfs/dbraw/zinc/28/92/55/209289255.db2.gz RNEFIXIVPYGFAI-CQSZACIVSA-N 0 3 358.529 2.119 40 0 FEABHN Cc1ccc(F)c(CN2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)c1 ZINC000108532434 209288979 /nfs/dbraw/zinc/28/89/79/209288979.db2.gz SMPSXXWJMNCINU-INIZCTEOSA-N 0 3 370.490 2.197 40 0 FEABHN CC(=O)N1CC2(CCN(Cc3ccsc3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000097952876 209199817 /nfs/dbraw/zinc/19/98/17/209199817.db2.gz GELWLSTVCHPDJW-IBGZPJMESA-N 0 3 361.511 2.041 40 0 FEABHN Cn1cc(C(=O)N2CCN(C3CCCC3)C[C@@H](Cc3ccccn3)C2)cn1 ZINC000072355208 541801321 /nfs/dbraw/zinc/80/13/21/541801321.db2.gz ZYMGXVXQDYXFBC-QGZVFWFLSA-N 0 3 367.497 2.374 40 0 FEABHN N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccnc3nccn32)C1 ZINC000072360631 541801882 /nfs/dbraw/zinc/80/18/82/541801882.db2.gz PILMTQFWRSNISG-RDJZCZTQSA-N 0 3 367.428 2.144 40 0 FEABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000072397262 541804577 /nfs/dbraw/zinc/80/45/77/541804577.db2.gz KWAUXDRUIIMFQG-WMZOPIPTSA-N 0 3 371.529 2.093 40 0 FEABHN Cc1nnc(NC[C@@H]2CO[C@@]3(C2)COCCN(Cc2ccccc2)C3)o1 ZINC000096240594 209143510 /nfs/dbraw/zinc/14/35/10/209143510.db2.gz LFMSMGHBGWJXEK-IEBWSBKVSA-N 0 3 358.442 2.098 40 0 FEABHN O=S(=O)(C1CC1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216487 209135679 /nfs/dbraw/zinc/13/56/79/209135679.db2.gz KACCBLHAKUAEEM-LJQANCHMSA-N 0 3 364.511 2.346 40 0 FEABHN O=C(NC[C@@H]1CCC[C@]2(CCN(Cc3cccnc3)C2)O1)N1CCCC1 ZINC000096208373 209133991 /nfs/dbraw/zinc/13/39/91/209133991.db2.gz SMRZKYCRBUOODA-AZUAARDMSA-N 0 3 358.486 2.401 40 0 FEABHN Cc1ccc(O[C@@H]2C[C@H]3CN(C(=O)Cc4ccccn4)CCN3C2)cc1 ZINC000096183526 209132363 /nfs/dbraw/zinc/13/23/63/209132363.db2.gz OHQYBJNYBBQRHS-AZUAARDMSA-N 0 3 351.450 2.297 40 0 FEABHN CN(Cc1ccccn1)[C@H]1CCC[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000096183057 209131614 /nfs/dbraw/zinc/13/16/14/209131614.db2.gz ZMYHCXLDAQKRPN-NEWSRXKRSA-N 0 3 351.454 2.244 40 0 FEABHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096158698 209127668 /nfs/dbraw/zinc/12/76/68/209127668.db2.gz RPKZARFCBKLXJH-LJQANCHMSA-N 0 3 355.486 2.071 40 0 FEABHN CCN1[C@H]2CCN(CC3CC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145737 209121689 /nfs/dbraw/zinc/12/16/89/209121689.db2.gz AJTKOOOLTTZBSX-HOTGVXAUSA-N 0 3 350.484 2.333 40 0 FEABHN O=C(c1cnc[nH]1)N1CCC2(C[C@@H](N3CCOCC3)c3ccccc32)CC1 ZINC000096079235 209108503 /nfs/dbraw/zinc/10/85/03/209108503.db2.gz XBVZIMWMMVQMPC-LJQANCHMSA-N 0 3 366.465 2.361 40 0 FEABHN CC1=CC2=NC(=O)C[C@@](C)(C(=O)NC(C)(C)CN3CCC[C@@H](C)C3)N2C=C1 ZINC000036741116 208172178 /nfs/dbraw/zinc/17/21/78/208172178.db2.gz METCUPCESNKADG-IERDGZPVSA-N 0 3 372.513 2.476 40 0 FEABHN COc1ccc([C@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000038541254 208203225 /nfs/dbraw/zinc/20/32/25/208203225.db2.gz HRDVPEGYZCNYSZ-CABCVRRESA-N 0 3 365.474 2.303 40 0 FEABHN COc1ccc(OC)c([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000038541249 208204429 /nfs/dbraw/zinc/20/44/29/208204429.db2.gz OQIIVSXXNYALGJ-CZUORRHYSA-N 0 3 365.474 2.303 40 0 FEABHN O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccc3ccccc3n1)C2 ZINC000096038786 209098760 /nfs/dbraw/zinc/09/87/60/209098760.db2.gz RSYGRTKLEGPZNI-TZIWHRDSSA-N 0 3 351.450 2.494 40 0 FEABHN Cc1nc(N[C@@H](C)CO)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000329057181 132373101 /nfs/dbraw/zinc/37/31/01/132373101.db2.gz VVJDOZBPZYNGME-ZDUSSCGKSA-N 0 3 356.470 2.368 40 0 FEABHN CC(C)[C@H](N)C(=O)N1CCC(CN(C)C(=O)OCc2ccccc2)CC1 ZINC000079413247 519816911 /nfs/dbraw/zinc/81/69/11/519816911.db2.gz FAXMFFCLUNEZRW-SFHVURJKSA-N 0 3 361.486 2.477 40 0 FEABHN C[C@H](N)C(=O)N1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413110 524818086 /nfs/dbraw/zinc/81/80/86/524818086.db2.gz PKRUQJGLCFNGSD-RDJZCZTQSA-N 0 3 359.470 2.373 40 0 FEABHN CN(CCC(=O)N[C@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 ZINC000257242666 536306153 /nfs/dbraw/zinc/30/61/53/536306153.db2.gz IDOSPNAPOWODTH-SFHVURJKSA-N 0 3 353.470 2.084 40 0 FEABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218586746 548688796 /nfs/dbraw/zinc/68/87/96/548688796.db2.gz CPCIUZYFGZHWEX-HDMKZQKVSA-N 0 3 368.499 2.118 40 0 FEABHN NC[C@@]1(CO)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218600273 548689248 /nfs/dbraw/zinc/68/92/48/548689248.db2.gz FZAWCYLHPHPMGY-YESZJQIVSA-N 0 3 369.845 2.356 40 0 FEABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000223175785 548716533 /nfs/dbraw/zinc/71/65/33/548716533.db2.gz GLLVSKSJQNKTDY-MRXNPFEDSA-N 0 3 368.499 2.406 40 0 FEABHN OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223566570 548721769 /nfs/dbraw/zinc/72/17/69/548721769.db2.gz ZZENTZKJTQIXBD-MSOLQXFVSA-N 0 3 365.462 2.232 40 0 FEABHN OCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223566517 548722230 /nfs/dbraw/zinc/72/22/30/548722230.db2.gz ZZENTZKJTQIXBD-ROUUACIJSA-N 0 3 365.462 2.232 40 0 FEABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1C ZINC000224580734 548729315 /nfs/dbraw/zinc/72/93/15/548729315.db2.gz UJRHZFJSUYFKTQ-UHFFFAOYSA-N 0 3 368.499 2.326 40 0 FEABHN CCN(CC)Cc1nc(C2(O)CCN(C3CCOCC3)CC2)cs1 ZINC000225463216 548735109 /nfs/dbraw/zinc/73/51/09/548735109.db2.gz PLHSUQSWHRWRKD-UHFFFAOYSA-N 0 3 353.532 2.447 40 0 biogenic,in-vitro FEABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 ZINC000252514138 549672398 /nfs/dbraw/zinc/67/23/98/549672398.db2.gz BJVJTQCRRMOEPG-ZACQAIPSSA-N 0 3 350.871 2.244 40 0 FEABHN CN(C)Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)cc1 ZINC000257238518 549721086 /nfs/dbraw/zinc/72/10/86/549721086.db2.gz HLJQKEWQBNLJQQ-IBGZPJMESA-N 0 3 354.454 2.012 40 0 FEABHN O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(Cc1ccsc1)C2)C1CC1 ZINC000306124847 553749047 /nfs/dbraw/zinc/74/90/47/553749047.db2.gz CAUDVRRODXLDCL-CRAIPNDOSA-N 0 3 357.483 2.203 40 0 FEABHN Cc1ccc(CNc2cc(-c3cccnc3)nc(NCCN(C)C)n2)cc1 ZINC000329013974 553864357 /nfs/dbraw/zinc/86/43/57/553864357.db2.gz MSZWBAABXRVQAF-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN CC(=O)N1CCC(N2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585269403 570485028 /nfs/dbraw/zinc/48/50/28/570485028.db2.gz SCIHFUGQUOKXFA-UHFFFAOYSA-N 0 3 350.434 2.042 40 0 FEABHN COc1ccc2c(c1)CCN(c1cc(C3CC3)nc(NCCN(C)C)n1)C2 ZINC000329059477 571133846 /nfs/dbraw/zinc/13/38/46/571133846.db2.gz WGOZDIHBQVQWCB-UHFFFAOYSA-N 0 3 367.497 2.899 40 0 FEABHN CN1CC[C@H](COCc2ccncc2)CC12CN(CC1CCOCC1)C2 ZINC000585102603 571223009 /nfs/dbraw/zinc/22/30/09/571223009.db2.gz BWDBSYHVVRMWHG-FQEVSTJZSA-N 0 3 359.514 2.421 40 0 FEABHN COc1ccccc1-c1n[nH]c2c1CCN(C(=O)CN(C)C(C)C)CC2 ZINC000585110364 571225264 /nfs/dbraw/zinc/22/52/64/571225264.db2.gz KKEGDXBSNDOXAA-UHFFFAOYSA-N 0 3 356.470 2.353 40 0 FEABHN O=c1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)nc(N2CCOCC2)[n-]1 ZINC000012365912 539555953 /nfs/dbraw/zinc/55/59/53/539555953.db2.gz QZMPMEXJLIBCIL-QGZVFWFLSA-N 0 3 354.454 2.051 40 0 FEABHN O=c1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(N2CCOCC2)[n-]1 ZINC000012365912 539555959 /nfs/dbraw/zinc/55/59/59/539555959.db2.gz QZMPMEXJLIBCIL-QGZVFWFLSA-N 0 3 354.454 2.051 40 0 FEABHN COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](Sc3ccccc3)[C@H]2O)cc1 ZINC000012483309 539562391 /nfs/dbraw/zinc/56/23/91/539562391.db2.gz HXFQMKDMZWZBTJ-OUUBHVDSSA-N 0 3 373.474 2.430 40 0 biogenic,in-vitro FEABHN C[C@@H]1CCCCN1CC(=O)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019496331 539658436 /nfs/dbraw/zinc/65/84/36/539658436.db2.gz PGKPIPGUSCGULC-IAGOWNOFSA-N 0 3 372.513 2.160 40 0 FEABHN CN(C(=O)c1cnn(C)c1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019290524 539655122 /nfs/dbraw/zinc/65/51/22/539655122.db2.gz JIFHHCRZSJPGPE-UHFFFAOYSA-N 0 3 354.454 2.356 40 0 FEABHN CC(C)N1CCc2c(nc(C3CCN(C(=O)C(C)(C)C)CC3)[nH]c2=O)C1 ZINC000019448437 539656866 /nfs/dbraw/zinc/65/68/66/539656866.db2.gz AHULOHUPZPHWSI-UHFFFAOYSA-N 0 3 360.502 2.289 40 0 FEABHN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019554541 539660868 /nfs/dbraw/zinc/66/08/68/539660868.db2.gz IAKFHEKVKWUSNS-LJQANCHMSA-N 0 3 366.465 2.427 40 0 FEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)n1 ZINC000019572855 539662340 /nfs/dbraw/zinc/66/23/40/539662340.db2.gz DFYMBFBQIDVHDA-YJBOKZPZSA-N 0 3 368.485 2.250 40 0 FEABHN COCCOc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019593805 539662738 /nfs/dbraw/zinc/66/27/38/539662738.db2.gz HUCXPBSFYDONOQ-FQEVSTJZSA-N 0 3 368.481 2.485 40 0 FEABHN CN(C)c1ccc(C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590637 539662933 /nfs/dbraw/zinc/66/29/33/539662933.db2.gz MZHDIQIJYAYRAU-INIZCTEOSA-N 0 3 365.481 2.160 40 0 FEABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000019709521 539666277 /nfs/dbraw/zinc/66/62/77/539666277.db2.gz LJUTUATWFNDQOR-SFHVURJKSA-N 0 3 353.470 2.062 40 0 FEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590225 539663366 /nfs/dbraw/zinc/66/33/66/539663366.db2.gz YWYFQBNQEOVQRB-OAHLLOKOSA-N 0 3 358.486 2.456 40 0 FEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590225 539663369 /nfs/dbraw/zinc/66/33/69/539663369.db2.gz YWYFQBNQEOVQRB-OAHLLOKOSA-N 0 3 358.486 2.456 40 0 FEABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3cnn(C)c3)C2)CC1 ZINC000108531346 209288512 /nfs/dbraw/zinc/28/85/12/209288512.db2.gz ZYNLZWNLGPCVPX-UHFFFAOYSA-N 0 3 359.499 2.360 40 0 FEABHN O=C(c1cnccn1)N1CCOC2(CCN(Cc3ccsc3)CC2)C1 ZINC000107193224 209275076 /nfs/dbraw/zinc/27/50/76/209275076.db2.gz HSIQGVSNYTZWNZ-UHFFFAOYSA-N 0 3 358.467 2.045 40 0 FEABHN CCN1C[C@@]2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2 ZINC000097952823 209199856 /nfs/dbraw/zinc/19/98/56/209199856.db2.gz NCKZCYKZJJOWNW-OAQYLSRUSA-N 0 3 370.497 2.485 40 0 FEABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390815 541804198 /nfs/dbraw/zinc/80/41/98/541804198.db2.gz MCTMSMYSOVNEBQ-ACJLOTCBSA-N 0 3 370.428 2.392 40 0 FEABHN CN(C(=O)CN1CCC[C@H]1c1ccc2c(N)[nH]nc2n1)C1CCCCC1 ZINC000072374504 541802854 /nfs/dbraw/zinc/80/28/54/541802854.db2.gz AKDSNPKQZRSXKD-INIZCTEOSA-N 0 3 356.474 2.468 40 0 FEABHN CNC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096260549 209145988 /nfs/dbraw/zinc/14/59/88/209145988.db2.gz SRLOQDCBECNYEV-UHFFFAOYSA-N 0 3 365.481 2.259 40 0 FEABHN O=C(N[C@H]1COCCC12CCN(Cc1cccnc1)CC2)c1ccco1 ZINC000096214935 209135417 /nfs/dbraw/zinc/13/54/17/209135417.db2.gz BCTSLJFQGARRLU-SFHVURJKSA-N 0 3 355.438 2.476 40 0 FEABHN COc1cccc(CN2CC[C@@]3(CCN(Cc4cnn(C)c4)C3)C2=O)c1 ZINC000096159783 209127726 /nfs/dbraw/zinc/12/77/26/209127726.db2.gz YYHFXKCEFFETQM-HXUWFJFHSA-N 0 3 354.454 2.053 40 0 FEABHN COc1ccc(CC(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC000096063644 209107020 /nfs/dbraw/zinc/10/70/20/209107020.db2.gz CZUHIBRTLXVWOJ-KDURUIRLSA-N 0 3 351.450 2.223 40 0 FEABHN COc1ccc(CCNCC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000035311495 207130708 /nfs/dbraw/zinc/13/07/08/207130708.db2.gz QVXZMSCVUSJATF-UHFFFAOYSA-N 0 3 358.394 2.203 40 0 FEABHN COc1ccc(CN2CCC(CNC(=O)c3cnc(C)cn3)CC2)cc1 ZINC000012115069 207338137 /nfs/dbraw/zinc/33/81/37/207338137.db2.gz UKVFIBXOYBOMLA-UHFFFAOYSA-N 0 3 354.454 2.436 40 0 FEABHN C[C@H](C(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 ZINC000012145147 207342882 /nfs/dbraw/zinc/34/28/82/207342882.db2.gz WHTWHAARRPNJRW-CABCVRRESA-N 0 3 354.454 2.113 40 0 FEABHN Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 ZINC000096052359 209102467 /nfs/dbraw/zinc/10/24/67/209102467.db2.gz XTNFVQYXNLFNER-MJGOQNOKSA-N 0 3 366.527 2.139 40 0 FEABHN CN(C)c1nc(N2CCOCC2)nc2c1CN(CC1CCCCC1)CC2 ZINC000096254022 132224232 /nfs/dbraw/zinc/22/42/32/132224232.db2.gz PLZOSEAORJSPJU-UHFFFAOYSA-N 0 3 359.518 2.318 40 0 FEABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393285 519816874 /nfs/dbraw/zinc/81/68/74/519816874.db2.gz QFRAMPTZRVRJLA-ROUUACIJSA-N 0 3 361.486 2.477 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 ZINC000218575481 548687424 /nfs/dbraw/zinc/68/74/24/548687424.db2.gz IKTCSXCRBBOLAE-BBWFWOEESA-N 0 3 350.871 2.244 40 0 FEABHN Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 ZINC000257199792 549716859 /nfs/dbraw/zinc/71/68/59/549716859.db2.gz AAVIZHPSLKFIEF-QGZVFWFLSA-N 0 3 355.486 2.416 40 0 FEABHN CC(=O)NCc1cnc(CC2CCN(Cc3ccncc3C)CC2)cn1 ZINC000257202893 549717000 /nfs/dbraw/zinc/71/70/00/549717000.db2.gz ANVNEMUTCIDPFO-UHFFFAOYSA-N 0 3 353.470 2.271 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 ZINC000257247004 549720837 /nfs/dbraw/zinc/72/08/37/549720837.db2.gz IWXVZIFVBBHOBT-BQFCYCMXSA-N 0 3 372.513 2.376 40 0 FEABHN Cc1nn(C)c(C)c1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257274761 549722732 /nfs/dbraw/zinc/72/27/32/549722732.db2.gz NMMVYHANXAUBII-INIZCTEOSA-N 0 3 351.458 2.392 40 0 FEABHN Cc1noc(C)c1CC(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257272799 549723019 /nfs/dbraw/zinc/72/30/19/549723019.db2.gz NDXMRACQSDDZOK-SFHVURJKSA-N 0 3 358.442 2.203 40 0 FEABHN COc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OCCO ZINC000585262592 570481424 /nfs/dbraw/zinc/48/14/24/570481424.db2.gz YLBNCVNNEIKXLS-KRWDZBQOSA-N 0 3 367.486 2.208 40 0 FEABHN O=S1(=O)CC[C@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 ZINC000575420033 571149632 /nfs/dbraw/zinc/14/96/32/571149632.db2.gz DJRQFHIRGIYVQJ-FQEVSTJZSA-N 0 3 358.507 2.466 40 0 FEABHN CNC(=O)c1cnn2c1nccc2C1CCN(Cc2scnc2C)CC1 ZINC000257209842 529954004 /nfs/dbraw/zinc/95/40/04/529954004.db2.gz BSCNVMZQEJNPGP-UHFFFAOYSA-N 0 3 370.482 2.233 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000329025739 210131618 /nfs/dbraw/zinc/13/16/18/210131618.db2.gz PIJCFYFHPBVPAF-UHFFFAOYSA-N 0 3 352.417 2.239 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)n1 ZINC000329015255 210131124 /nfs/dbraw/zinc/13/11/24/210131124.db2.gz MZRAAZQXWMZNAX-UHFFFAOYSA-N 0 3 351.376 2.332 40 0 FEABHN CN(C)CCNc1nc(NCCc2ccccc2)cc(-c2ccccn2)n1 ZINC000328963508 210127298 /nfs/dbraw/zinc/12/72/98/210127298.db2.gz BPNXVPVSFBSVRD-UHFFFAOYSA-N 0 3 362.481 2.011 40 0 FEABHN OCCN(CCO)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000008581566 539489035 /nfs/dbraw/zinc/48/90/35/539489035.db2.gz KLZVGZMQXSTUEZ-OAQYLSRUSA-N 0 3 352.434 2.222 40 0 FEABHN Cc1cc(-c2cnc3cc(C)nn3c2[C@H]2CCCN(CCC(N)=O)C2)on1 ZINC000012121235 539544526 /nfs/dbraw/zinc/54/45/26/539544526.db2.gz ZAHFGAYMWFEFPY-AWEZNQCLSA-N 0 3 368.441 2.056 40 0 FEABHN Cn1cc(CN2CC[C@]3(CCC[C@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 ZINC000306127595 210051656 /nfs/dbraw/zinc/05/16/56/210051656.db2.gz GCZKBJSZAQCUAL-DOTOQJQBSA-N 0 3 352.429 2.326 40 0 FEABHN CNCC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(OC)cc2)C1 ZINC000072363286 541801869 /nfs/dbraw/zinc/80/18/69/541801869.db2.gz VUODOCXRPUHPHX-AWEZNQCLSA-N 0 3 356.426 2.203 40 0 FEABHN COc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590459 211240605 /nfs/dbraw/zinc/24/06/05/211240605.db2.gz RRAKVSHTBYMRAG-HNNXBMFYSA-N 0 3 366.465 2.493 40 0 FEABHN CNc1nc([C@H]2CCCN2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711540 211246930 /nfs/dbraw/zinc/24/69/30/211246930.db2.gz AHVGTDCLFVQOSC-QGZVFWFLSA-N 0 3 369.444 2.209 40 0 FEABHN COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019558979 211233126 /nfs/dbraw/zinc/23/31/26/211233126.db2.gz DUIWWYOWAKPNJG-GFCCVEGCSA-N 0 3 372.856 2.414 40 0 FEABHN CCCc1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)no1 ZINC000019525294 211228712 /nfs/dbraw/zinc/22/87/12/211228712.db2.gz HAHLIGUPMFOEKZ-UHFFFAOYSA-N 0 3 369.469 2.425 40 0 FEABHN CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)n1 ZINC000019524605 211228756 /nfs/dbraw/zinc/22/87/56/211228756.db2.gz KTINGGLDULRMDS-PCCBWWKXSA-N 0 3 354.498 2.074 40 0 FEABHN COc1ccc(C)cc1CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019133077 211204347 /nfs/dbraw/zinc/20/43/47/211204347.db2.gz HTLAENYFZFEDTI-GOSISDBHSA-N 0 3 366.465 2.346 40 0 FEABHN COc1cc(OC)cc(C(=O)N2CC[C@H](c3ncc(CN(C)C)[nH]3)C2)c1 ZINC000257301619 533065125 /nfs/dbraw/zinc/06/51/25/533065125.db2.gz RZDKQWKXRZHLOC-ZDUSSCGKSA-N 0 3 358.442 2.118 40 0 FEABHN Cc1noc(C)c1CN1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 ZINC000096049007 132217173 /nfs/dbraw/zinc/21/71/73/132217173.db2.gz LSHPFLNEJACJCA-UHFFFAOYSA-N 0 3 361.421 2.092 40 0 FEABHN C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CCc2ccccc2)C3)C[C@H](C)O1 ZINC000072335559 136144445 /nfs/dbraw/zinc/14/44/45/136144445.db2.gz KQXAHCMYRGGPLN-HOTGVXAUSA-N 0 3 368.481 2.397 40 0 FEABHN C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000096006253 542987690 /nfs/dbraw/zinc/98/76/90/542987690.db2.gz MWLOMEODXVISNB-HUUCEWRRSA-N 0 3 367.515 2.156 40 0 FEABHN COc1ccc(CN2CCC3(C[C@@H](N4CCN(C)CC4)CO3)CC2)cc1 ZINC000096048848 542989389 /nfs/dbraw/zinc/98/93/89/542989389.db2.gz DAKDBSZSXOOEKK-LJQANCHMSA-N 0 3 359.514 2.066 40 0 FEABHN Cc1ccc(CN2CCC3(CO[C@H](COCC(=O)N(C)C)C3)CC2)o1 ZINC000096105949 222024754 /nfs/dbraw/zinc/02/47/54/222024754.db2.gz PXQZNCHRXFTTDD-KRWDZBQOSA-N 0 3 350.459 2.064 40 0 FEABHN CN(C)C(=O)COC[C@]12CCCO[C@H]1CCN(Cc1ccsc1)C2 ZINC000096056956 222005152 /nfs/dbraw/zinc/00/51/52/222005152.db2.gz ANLKBCPSDAQKCA-FUHWJXTLSA-N 0 3 352.500 2.224 40 0 FEABHN O=C(c1cccnc1)N1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000096182248 222069694 /nfs/dbraw/zinc/06/96/94/222069694.db2.gz CRSMLNXZVDIISG-CALCHBBNSA-N 0 3 351.406 2.014 40 0 FEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)Nc1cccnc1 ZINC000096208393 222078533 /nfs/dbraw/zinc/07/85/33/222078533.db2.gz NPJHUAGFBDIJRJ-QRQLOZEOSA-N 0 3 352.438 2.342 40 0 FEABHN Cc1nc(COC[C@@H]2CN(C)C[C@@]23CCN(c2ncccn2)C3)cs1 ZINC000096220010 222084506 /nfs/dbraw/zinc/08/45/06/222084506.db2.gz BCEVBQOGFGBJAZ-MAUKXSAKSA-N 0 3 359.499 2.216 40 0 FEABHN O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096225815 222087139 /nfs/dbraw/zinc/08/71/39/222087139.db2.gz MPEDLCLOYLGZNM-FQEVSTJZSA-N 0 3 356.470 2.499 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306137397 534383337 /nfs/dbraw/zinc/38/33/37/534383337.db2.gz QVGNWNQHLQSTCT-HZPDHXFCSA-N 0 3 363.421 2.428 40 0 FEABHN CC(=O)N1CCCCC[C@@H]2N(CC(N)=O)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257332483 526548263 /nfs/dbraw/zinc/54/82/63/526548263.db2.gz XXMPJRCACWIBKF-DYXWJJEUSA-N 0 3 357.498 2.339 40 0 FEABHN O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000019745337 527276686 /nfs/dbraw/zinc/27/66/86/527276686.db2.gz FJCYHBYVCHLSOY-HXUWFJFHSA-N 0 3 369.509 2.164 40 0 FEABHN CC(C)c1cc(C(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)on1 ZINC000257287188 528023552 /nfs/dbraw/zinc/02/35/52/528023552.db2.gz POWTZRRTEGVBLP-INIZCTEOSA-N 0 3 357.401 2.106 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccc(OC)cc1 ZINC000257257631 528947265 /nfs/dbraw/zinc/94/72/65/528947265.db2.gz KQMASUHQVAGKRF-MJGOQNOKSA-N 0 3 361.486 2.015 40 0 FEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218653675 548688880 /nfs/dbraw/zinc/68/88/80/548688880.db2.gz LKTKXNZPVNDZGW-KZNAEPCWSA-N 0 3 364.898 2.498 40 0 FEABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn1 ZINC000225924807 548745809 /nfs/dbraw/zinc/74/58/09/548745809.db2.gz ZDVGMKWTOQWWJC-UHFFFAOYSA-N 0 3 366.462 2.264 40 0 FEABHN COC[C@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccccc1C)CC2 ZINC000248170294 549414758 /nfs/dbraw/zinc/41/47/58/549414758.db2.gz VPLDWVXRJTUXGY-GOSISDBHSA-N 0 3 366.527 2.115 40 0 FEABHN CN1C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)[C@@H](c2ccccc2)C1 ZINC000329018604 553865789 /nfs/dbraw/zinc/86/57/89/553865789.db2.gz LBWACHHFNGJSAC-MOPGFXCFSA-N 0 3 363.461 2.423 40 0 FEABHN COc1ccc2[nH]c(CN3CC[C@@H](OC)[C@H](CC(=O)N(C)C)C3)cc2c1 ZINC000585275562 570487826 /nfs/dbraw/zinc/48/78/26/570487826.db2.gz GSROJHOTWUSNRE-DNVCBOLYSA-N 0 3 359.470 2.492 40 0 FEABHN Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585283057 570493030 /nfs/dbraw/zinc/49/30/30/570493030.db2.gz PDDSEZAAFJMJFT-FPOVZHCZSA-N 0 3 363.498 2.257 40 0 FEABHN O[C@H]1CCN(CC2(O)CCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585284775 570494068 /nfs/dbraw/zinc/49/40/68/570494068.db2.gz ZWLCDLDBZHHYGT-HKUYNNGSSA-N 0 3 369.889 2.212 40 0 FEABHN CC(C)(C)NC(=O)CNC[C@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585286573 570494523 /nfs/dbraw/zinc/49/45/23/570494523.db2.gz LZBSDTLLNNYNAT-MZMPZRCHSA-N 0 3 352.450 2.238 40 0 FEABHN Cc1cccc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCC3)C2)c1 ZINC000585112660 571226236 /nfs/dbraw/zinc/22/62/36/571226236.db2.gz UUNCLXZXCXFTLW-GOSISDBHSA-N 0 3 374.510 2.423 40 0 FEABHN CNC(=O)CN(C)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257267691 529860897 /nfs/dbraw/zinc/86/08/97/529860897.db2.gz MIKITFROQRVEFR-ZZEDZQHJSA-N 0 3 360.498 2.299 40 0 FEABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133513 539377668 /nfs/dbraw/zinc/37/76/68/539377668.db2.gz HALHLKNTMDWZAM-UHFFFAOYSA-N 0 3 360.527 2.403 40 0 FEABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2scnc2C)C1 ZINC000257250563 529954537 /nfs/dbraw/zinc/95/45/37/529954537.db2.gz JNAGDUHYAHBLIU-ZDUSSCGKSA-N 0 3 370.482 2.233 40 0 FEABHN Cc1ccc(CN2C[C@@H](c3ccnn3C(C)C)[C@@]3(C2)OCCNC3=O)cc1 ZINC000306127383 210051905 /nfs/dbraw/zinc/05/19/05/210051905.db2.gz FXHIXNCQFKPSSU-GHTZIAJQSA-N 0 3 368.481 2.257 40 0 FEABHN CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC[C@@H](O)C2)C1 ZINC000019016955 539650458 /nfs/dbraw/zinc/65/04/58/539650458.db2.gz VGDHYFVFBYCOHX-JKSUJKDBSA-N 0 3 356.470 2.246 40 0 FEABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000035425445 539982169 /nfs/dbraw/zinc/98/21/69/539982169.db2.gz PIFURWDNLIXETB-INIZCTEOSA-N 0 3 374.441 2.473 40 0 biogenic,in-vitro FEABHN COCCOc1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)ccn1 ZINC000035424814 539982709 /nfs/dbraw/zinc/98/27/09/539982709.db2.gz ODQPOVLBOUYNRA-INIZCTEOSA-N 0 3 374.441 2.473 40 0 biogenic,in-vitro FEABHN Cc1cnc(C2(C)CCN(C3CCN(S(C)(=O)=O)CC3)CC2)s1 ZINC000257317569 223063331 /nfs/dbraw/zinc/06/33/31/223063331.db2.gz VKIMZBQWQGPHES-UHFFFAOYSA-N 0 3 357.545 2.229 40 0 FEABHN CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339056 541800654 /nfs/dbraw/zinc/80/06/54/541800654.db2.gz LQNLFZZVNGUMCJ-LJQHDNKASA-N 0 3 371.481 2.009 40 0 FEABHN CCN(C(=O)[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C)CC1 ZINC000072391812 541804112 /nfs/dbraw/zinc/80/41/12/541804112.db2.gz YNYHNFQREAJGKN-IBGZPJMESA-N 0 3 363.477 2.142 40 0 FEABHN CN(C)c1ccc(C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590636 211239766 /nfs/dbraw/zinc/23/97/66/211239766.db2.gz MZHDIQIJYAYRAU-MRXNPFEDSA-N 0 3 365.481 2.160 40 0 FEABHN CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019585033 211238344 /nfs/dbraw/zinc/23/83/44/211238344.db2.gz PEOZMUUXYPPODH-MRXNPFEDSA-N 0 3 365.481 2.208 40 0 FEABHN COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)cc1 ZINC000019587967 211237202 /nfs/dbraw/zinc/23/72/02/211237202.db2.gz LJZWLZJYUAKIHD-MRXNPFEDSA-N 0 3 366.465 2.032 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3cc(C4CC4)on3)ncc2C1 ZINC000019590540 211240985 /nfs/dbraw/zinc/24/09/85/211240985.db2.gz MZRRFYXCSPMXNX-INIZCTEOSA-N 0 3 353.426 2.307 40 0 FEABHN COc1cccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1 ZINC000019564753 211234208 /nfs/dbraw/zinc/23/42/08/211234208.db2.gz WPUOMNADQGZNGS-MRXNPFEDSA-N 0 3 354.454 2.368 40 0 FEABHN COc1cccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1 ZINC000019564753 211234211 /nfs/dbraw/zinc/23/42/11/211234211.db2.gz WPUOMNADQGZNGS-MRXNPFEDSA-N 0 3 354.454 2.368 40 0 FEABHN COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019564436 211232548 /nfs/dbraw/zinc/23/25/48/211232548.db2.gz HORDJKVFCWSOIU-OAHLLOKOSA-N 0 3 352.438 2.151 40 0 FEABHN CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019533028 211231853 /nfs/dbraw/zinc/23/18/53/211231853.db2.gz GZODYSKOYQJXTE-LJQANCHMSA-N 0 3 366.465 2.427 40 0 FEABHN CCC(CC)C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3nccnc23)C1 ZINC000019500071 211226557 /nfs/dbraw/zinc/22/65/57/211226557.db2.gz CUZCHXHKLBVRCC-OAHLLOKOSA-N 0 3 358.490 2.140 40 0 FEABHN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1C ZINC000019520953 211226071 /nfs/dbraw/zinc/22/60/71/211226071.db2.gz LZHZNGOHXGQSAR-QGZVFWFLSA-N 0 3 368.485 2.426 40 0 FEABHN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@@]21c2cc(C)ccc2NC1=O ZINC000016022129 211152822 /nfs/dbraw/zinc/15/28/22/211152822.db2.gz ZOXZTVVYASKWLB-PMPMRQNWSA-N 0 3 369.465 2.170 40 0 FEABHN COc1cc2c(cc1OC)CN(c1cc(NCCN(C)C)nc(C)n1)CC2 ZINC000243424894 132249871 /nfs/dbraw/zinc/24/98/71/132249871.db2.gz MVTCCMATNXMQPT-UHFFFAOYSA-N 0 3 371.485 2.338 40 0 FEABHN Cc1cccnc1CN1CCC2(CC(NC(=O)c3cnn(C)c3)C2)CC1 ZINC000108533188 543293113 /nfs/dbraw/zinc/29/31/13/543293113.db2.gz AVZILIWMLBFOTQ-UHFFFAOYSA-N 0 3 353.470 2.298 40 0 FEABHN Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCc2cccnc2)C1 ZINC000108534667 543293419 /nfs/dbraw/zinc/29/34/19/543293419.db2.gz WGLWXJAFGZPALI-UYAOXDASSA-N 0 3 353.470 2.124 40 0 FEABHN CO[C@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109484 222028520 /nfs/dbraw/zinc/02/85/20/222028520.db2.gz NPWDHICXGNLPMA-ZCNNSNEGSA-N 0 3 356.470 2.408 40 0 FEABHN COc1ccc(CN2CCCn3c(=O)cc(CN4CCCC4)nc3C2)cc1 ZINC000096059579 222006946 /nfs/dbraw/zinc/00/69/46/222006946.db2.gz RVOAKXPQYSVSNB-UHFFFAOYSA-N 0 3 368.481 2.254 40 0 FEABHN O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096239028 222093707 /nfs/dbraw/zinc/09/37/07/222093707.db2.gz UHJJWYBQRBSQQG-HXUWFJFHSA-N 0 3 351.406 2.439 40 0 FEABHN COC(=O)CCC(=O)N1C[C@@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC000096245437 222098715 /nfs/dbraw/zinc/09/87/15/222098715.db2.gz PFPYAXNDXHVZTL-GJZGRUSLSA-N 0 3 350.846 2.183 40 0 FEABHN COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)N=C1C ZINC000096261499 222104868 /nfs/dbraw/zinc/10/48/68/222104868.db2.gz VQTAMMOTUCOJNS-IMFGXOCKSA-N 0 3 359.445 2.313 40 0 FEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3cccnc3)CC[C@H]21)Nc1cccnc1 ZINC000096207424 222075809 /nfs/dbraw/zinc/07/58/09/222075809.db2.gz KTOQNUDLHFSAQW-QRQLOZEOSA-N 0 3 352.438 2.342 40 0 FEABHN COC[C@@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cccc(C)n1)CC2 ZINC000096208410 222077989 /nfs/dbraw/zinc/07/79/89/222077989.db2.gz JWLVVUXGOXKGBL-LJQANCHMSA-N 0 3 357.498 2.487 40 0 FEABHN COC[C@@H]1CC2(CN1S(C)(=O)=O)CCN(Cc1cccs1)CC2 ZINC000096208605 222078375 /nfs/dbraw/zinc/07/83/75/222078375.db2.gz QPOFGKTYISLBCX-AWEZNQCLSA-N 0 3 358.529 2.011 40 0 FEABHN O=C(N[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2)c1ccccn1 ZINC000096221082 222085864 /nfs/dbraw/zinc/08/58/64/222085864.db2.gz PIPZGOWKNWNVEQ-QGZVFWFLSA-N 0 3 352.438 2.030 40 0 FEABHN Cc1ccc(N2CCOC[C@@]3(CCCN(Cc4ccncc4)C3)C2)nn1 ZINC000096229183 222091121 /nfs/dbraw/zinc/09/11/21/222091121.db2.gz AEYXNFRLGARBDQ-HXUWFJFHSA-N 0 3 353.470 2.299 40 0 FEABHN CC(C)c1cc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)on1 ZINC000257287189 528023583 /nfs/dbraw/zinc/02/35/83/528023583.db2.gz POWTZRRTEGVBLP-MRXNPFEDSA-N 0 3 357.401 2.106 40 0 FEABHN NCC1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218391930 548686710 /nfs/dbraw/zinc/68/67/10/548686710.db2.gz GURRKONCLLDPSU-JKSUJKDBSA-N 0 3 350.871 2.184 40 0 FEABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218620227 548688665 /nfs/dbraw/zinc/68/86/65/548688665.db2.gz BJVJTQCRRMOEPG-IXDOHACOSA-N 0 3 350.871 2.244 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515654 549672172 /nfs/dbraw/zinc/67/21/72/549672172.db2.gz MKBAIRRQJRJAHB-YQVWRLOYSA-N 0 3 359.447 2.135 40 0 FEABHN CCS(=O)(=O)N1CCC2(CN(Cc3ccsc3)C[C@H]2COC)CC1 ZINC000253493224 549690560 /nfs/dbraw/zinc/69/05/60/549690560.db2.gz SOXVKTWGOAMBSQ-INIZCTEOSA-N 0 3 372.556 2.258 40 0 FEABHN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333302169 554600423 /nfs/dbraw/zinc/60/04/23/554600423.db2.gz QGEFGPVOVNMMCH-BMHLXIAXSA-N 0 3 356.397 2.307 40 0 FEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000585261604 570480431 /nfs/dbraw/zinc/48/04/31/570480431.db2.gz JOHDVVPGRSQDJN-YRXWBPOGSA-N 0 3 358.413 2.067 40 0 FEABHN CN(C)C/C=C/C(=O)N(C)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585289734 570495541 /nfs/dbraw/zinc/49/55/41/570495541.db2.gz MOUNDSZHRXVKIA-VZIQEBCVSA-N 0 3 350.434 2.063 40 0 FEABHN OCCN(Cc1ccncc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585290014 570495575 /nfs/dbraw/zinc/49/55/75/570495575.db2.gz PSNKIERFHCXNOU-XUVXKRRUSA-N 0 3 360.429 2.376 40 0 FEABHN Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585292957 570497306 /nfs/dbraw/zinc/49/73/06/570497306.db2.gz USWAYDIGTZXISB-IQIBNGDESA-N 0 3 366.469 2.357 40 0 FEABHN CN(C)CCNc1nc(NCc2ccccc2F)cc(C(F)(F)F)n1 ZINC000329038143 210132292 /nfs/dbraw/zinc/13/22/92/210132292.db2.gz RROGYYDGLICCRW-UHFFFAOYSA-N 0 3 357.355 2.064 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccn2)n1 ZINC000329058300 210132375 /nfs/dbraw/zinc/13/23/75/210132375.db2.gz WBUXWHPDZABMPX-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN Cc1cccc(CNc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c1 ZINC000328984489 210129779 /nfs/dbraw/zinc/12/97/79/210129779.db2.gz HNENIDTWXADJRK-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN C[C@@H]1CCc2c(sc3ncn(C4CCN(CCC(N)=O)CC4)c(=O)c32)C1 ZINC000012145485 539546717 /nfs/dbraw/zinc/54/67/17/539546717.db2.gz MPNXSMHGKYHSLH-GFCCVEGCSA-N 0 3 374.510 2.095 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306138108 210055544 /nfs/dbraw/zinc/05/55/44/210055544.db2.gz RPMBZDNEXBKSIX-KBPBESRZSA-N 0 3 371.872 2.128 40 0 FEABHN Cn1cc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)cn1 ZINC000306126643 210049821 /nfs/dbraw/zinc/04/98/21/210049821.db2.gz FASZCWVVEIVFCG-UHFFFAOYSA-N 0 3 374.452 2.459 40 0 FEABHN CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cccnc3)CC2)C1 ZINC000306125765 210048523 /nfs/dbraw/zinc/04/85/23/210048523.db2.gz DBUVFGOFNRSGBZ-UHFFFAOYSA-N 0 3 364.453 2.370 40 0 FEABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccccc2)CC3)C1 ZINC000019709520 539666759 /nfs/dbraw/zinc/66/67/59/539666759.db2.gz LJUTUATWFNDQOR-GOSISDBHSA-N 0 3 353.470 2.062 40 0 FEABHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)[C@H](O)c2ccc(O)cc2)c1 ZINC000040162335 540008618 /nfs/dbraw/zinc/00/86/18/540008618.db2.gz LHMBBLYSXFOQBR-GMVOTWDCSA-N 0 3 359.422 2.046 40 0 FEABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635424 291050804 /nfs/dbraw/zinc/05/08/04/291050804.db2.gz HWLCLXYMQRDPMN-ZNMIVQPWSA-N 0 3 374.510 2.089 40 0 biogenic,in-vitro FEABHN Cc1cc(N(C)C)cc([C@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 ZINC000257293255 223054435 /nfs/dbraw/zinc/05/44/35/223054435.db2.gz QOSSJDIDRZBTDD-QGZVFWFLSA-N 0 3 353.488 2.102 40 0 FEABHN CNCC(=O)N1CCC[C@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072383004 541804025 /nfs/dbraw/zinc/80/40/25/541804025.db2.gz ISQUGOWAIOPZNC-HNNXBMFYSA-N 0 3 354.458 2.157 40 0 FEABHN CN1CCc2nc([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)ncc2C1 ZINC000019590614 211241151 /nfs/dbraw/zinc/24/11/51/211241151.db2.gz OBQWIPYVJMKTNV-OAHLLOKOSA-N 0 3 354.429 2.162 40 0 FEABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccc(OC)c3)C2)no1 ZINC000019593545 211240974 /nfs/dbraw/zinc/24/09/74/211240974.db2.gz CFCPBSXIWHOMAC-MRXNPFEDSA-N 0 3 373.453 2.439 40 0 FEABHN C[N@@H+]1CCc2c(nc(C3CCN(C(=O)C4CCCCC4)CC3)[n-]c2=O)C1 ZINC000019590726 211240442 /nfs/dbraw/zinc/24/04/42/211240442.db2.gz UOGGTPBSALLKGX-UHFFFAOYSA-N 0 3 358.486 2.456 40 0 FEABHN C[N@H+]1CCc2c(nc(C3CCN(C(=O)C4CCCCC4)CC3)[n-]c2=O)C1 ZINC000019590726 211240446 /nfs/dbraw/zinc/24/04/46/211240446.db2.gz UOGGTPBSALLKGX-UHFFFAOYSA-N 0 3 358.486 2.456 40 0 FEABHN CN1CCc2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 ZINC000019590493 211240142 /nfs/dbraw/zinc/24/01/42/211240142.db2.gz FBDTYZIPLSQJLM-HNNXBMFYSA-N 0 3 372.494 2.033 40 0 FEABHN CN(C)c1ccc(C(=O)N2CCc3nc([C@H]4CCN(C)C4)ncc3C2)cc1 ZINC000019588008 211237908 /nfs/dbraw/zinc/23/79/08/211237908.db2.gz GDGZIJVETDVEPV-INIZCTEOSA-N 0 3 365.481 2.160 40 0 FEABHN COCCN1CCC(c2nc(N(C)C)ncc2-c2ccc(N)nc2)CC1 ZINC000019695122 211246682 /nfs/dbraw/zinc/24/66/82/211246682.db2.gz YDGBCONLMIYCHC-UHFFFAOYSA-N 0 3 356.474 2.013 40 0 FEABHN Cc1cc(NCCNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c2ccccc2n1 ZINC000019656284 211242708 /nfs/dbraw/zinc/24/27/08/211242708.db2.gz HSACMSMQBPKCMF-OAHLLOKOSA-N 0 3 354.454 2.328 40 0 FEABHN COc1ccccc1CN(C(=O)c1cnc(N)nc1C)C1CCN(C)CC1 ZINC000019656028 211242135 /nfs/dbraw/zinc/24/21/35/211242135.db2.gz DMVKGJYAPLRDLU-UHFFFAOYSA-N 0 3 369.469 2.112 40 0 FEABHN COc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1 ZINC000019564756 211233898 /nfs/dbraw/zinc/23/38/98/211233898.db2.gz WPUOMNADQGZNGS-INIZCTEOSA-N 0 3 354.454 2.368 40 0 FEABHN COc1cccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)c1 ZINC000019564756 211233905 /nfs/dbraw/zinc/23/39/05/211233905.db2.gz WPUOMNADQGZNGS-INIZCTEOSA-N 0 3 354.454 2.368 40 0 FEABHN OCC[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019403956 211220424 /nfs/dbraw/zinc/22/04/24/211220424.db2.gz PJFXLIOZGZBDSV-CABCVRRESA-N 0 3 360.483 2.252 40 0 FEABHN c1cc2c(cc1CN1CCc3nc([C@@H]4CCCN4)ncc3C1)OCCO2 ZINC000019345797 211216571 /nfs/dbraw/zinc/21/65/71/211216571.db2.gz JVEBQPLPEUYRLB-KRWDZBQOSA-N 0 3 352.438 2.231 40 0 FEABHN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@@]21c2cccc(C)c2NC1=O ZINC000016022001 211154239 /nfs/dbraw/zinc/15/42/39/211154239.db2.gz YHJBFALZYUQLJS-WRPNDASFSA-N 0 3 369.465 2.170 40 0 FEABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000012366110 210948397 /nfs/dbraw/zinc/94/83/97/210948397.db2.gz LPROWAMXEARDRD-QGZVFWFLSA-N 0 3 368.433 2.309 40 0 FEABHN O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000096043357 542988681 /nfs/dbraw/zinc/98/86/81/542988681.db2.gz IUTLNPMGPVKHFB-OWCLPIDISA-N 0 3 358.467 2.404 40 0 FEABHN Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108531076 543292484 /nfs/dbraw/zinc/29/24/84/543292484.db2.gz LSFQFOHLKCPYJP-RDJZCZTQSA-N 0 3 352.429 2.326 40 0 FEABHN Cn1cc(CN2CC[C@]3(CCC[C@@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 ZINC000108530909 543292508 /nfs/dbraw/zinc/29/25/08/543292508.db2.gz GCZKBJSZAQCUAL-NVXWUHKLSA-N 0 3 352.429 2.326 40 0 FEABHN Cn1nccc1CN1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)CC1 ZINC000108526510 543292556 /nfs/dbraw/zinc/29/25/56/543292556.db2.gz IKQNUJGJYSGJMS-FQEVSTJZSA-N 0 3 353.470 2.220 40 0 FEABHN CN1CCC(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1 ZINC000073173831 221560262 /nfs/dbraw/zinc/56/02/62/221560262.db2.gz IZJVJFKJODZLEO-UHFFFAOYSA-N 0 3 352.438 2.292 40 0 FEABHN CO[C@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109461 222028325 /nfs/dbraw/zinc/02/83/25/222028325.db2.gz JGHKYPXEPZHSLL-ZCNNSNEGSA-N 0 3 356.470 2.408 40 0 FEABHN COCCN1C[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@]2(c2ccccc2)C1 ZINC000096083264 222016245 /nfs/dbraw/zinc/01/62/45/222016245.db2.gz HSYMUKXLXUKNHH-GHTZIAJQSA-N 0 3 353.466 2.377 40 0 FEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCc1cccnc1 ZINC000096207756 222077481 /nfs/dbraw/zinc/07/74/81/222077481.db2.gz HKOOLJZXULCSOB-XUVXKRRUSA-N 0 3 351.450 2.377 40 0 FEABHN CCC(CC)CN1CC[C@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 ZINC000096225991 222087347 /nfs/dbraw/zinc/08/73/47/222087347.db2.gz MNKWUTRMGVDYOY-IBGZPJMESA-N 0 3 359.474 2.058 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 ZINC000100747650 222251772 /nfs/dbraw/zinc/25/17/72/222251772.db2.gz IWXVZIFVBBHOBT-NUJGCVRESA-N 0 3 372.513 2.376 40 0 FEABHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000331796222 330201776 /nfs/dbraw/zinc/20/17/76/330201776.db2.gz IQYXPNFCOJZSGN-KFKAGJAMSA-N 0 3 372.513 2.426 40 0 FEABHN CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257262680 527522391 /nfs/dbraw/zinc/52/23/91/527522391.db2.gz LMJZHBZUIARJMK-YRXWBPOGSA-N 0 3 364.461 2.333 40 0 FEABHN CN(CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1)Cc1ccccn1 ZINC000257245531 536306031 /nfs/dbraw/zinc/30/60/31/536306031.db2.gz IPYBMVSRNWRNBQ-GOSISDBHSA-N 0 3 353.470 2.084 40 0 FEABHN NC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663484 548689000 /nfs/dbraw/zinc/68/90/00/548689000.db2.gz KVNGUSYHLWIQQR-PMPSAXMXSA-N 0 3 354.834 2.075 40 0 FEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000248095307 549407246 /nfs/dbraw/zinc/40/72/46/549407246.db2.gz XKWJJBLKOGPMKN-CABCVRRESA-N 0 3 356.470 2.232 40 0 FEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000248095307 549407247 /nfs/dbraw/zinc/40/72/47/549407247.db2.gz XKWJJBLKOGPMKN-CABCVRRESA-N 0 3 356.470 2.232 40 0 FEABHN CCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133488 539377511 /nfs/dbraw/zinc/37/75/11/539377511.db2.gz NXVAWHXFFKFMKZ-UHFFFAOYSA-N 0 3 360.527 2.403 40 0 FEABHN CCNC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133547 539377838 /nfs/dbraw/zinc/37/78/38/539377838.db2.gz JFRVGPHECFBAMY-UHFFFAOYSA-N 0 3 360.527 2.403 40 0 FEABHN CN1CCC[C@@H]2N(C(=O)COc3ncnc4ccccc43)CCC[C@@]21C ZINC000257304245 530059221 /nfs/dbraw/zinc/05/92/21/530059221.db2.gz SKSOVNUHXRPPMX-PXNSSMCTSA-N 0 3 354.454 2.484 40 0 FEABHN CN(C)CCNc1nc(NCc2ccc(F)cc2)cc(-c2ccccn2)n1 ZINC000328978806 210128256 /nfs/dbraw/zinc/12/82/56/210128256.db2.gz GBNYSYXLOFUCRQ-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN C[C@H]1CCc2c(sc3ncn4c(=O)n(CCN5CCCC5)nc4c23)C1 ZINC000012145253 539546798 /nfs/dbraw/zinc/54/67/98/539546798.db2.gz UPSOATWTRYHABU-LBPRGKRZSA-N 0 3 357.483 2.326 40 0 FEABHN Cc1c2ccccc2[nH]c1CN1CCC(O)(Cn2nc(C)ccc2=O)CC1 ZINC000012187754 539548550 /nfs/dbraw/zinc/54/85/50/539548550.db2.gz FPJWNBKEJBRBJK-UHFFFAOYSA-N 0 3 366.465 2.369 40 0 FEABHN CC(=O)c1cnc2cc(C(=O)NC(C)(C)CN3CCC[C@@H](C)C3)nn2c1C ZINC000012203234 539549305 /nfs/dbraw/zinc/54/93/05/539549305.db2.gz XISQOETWQYWZMP-CYBMUJFWSA-N 0 3 371.485 2.481 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306124368 210048914 /nfs/dbraw/zinc/04/89/14/210048914.db2.gz BNPLARKLEQLRQW-ZIAGYGMSSA-N 0 3 371.872 2.128 40 0 FEABHN COc1ccccc1CN1CCC[C@@H](Cn2nnc(-c3cnccn3)n2)C1 ZINC000012471314 539561326 /nfs/dbraw/zinc/56/13/26/539561326.db2.gz BEHMYMYHXSXSHC-OAHLLOKOSA-N 0 3 365.441 2.051 40 0 FEABHN CC(=O)N1CCC[C@H]1c1cc(N2CCN(C(=O)C(C)C)CC2)cc(C)n1 ZINC000019698273 539665078 /nfs/dbraw/zinc/66/50/78/539665078.db2.gz RMKOBPOGGVWHGI-IBGZPJMESA-N 0 3 358.486 2.378 40 0 FEABHN COC(=O)c1cccc(S(=O)(=O)NCCCN2CCCCCC2)c1 ZINC000026818132 539794015 /nfs/dbraw/zinc/79/40/15/539794015.db2.gz SBDOYRZAGQUYDU-UHFFFAOYSA-N 0 3 354.472 2.018 40 0 FEABHN Cc1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)n1C ZINC000072327150 541799455 /nfs/dbraw/zinc/79/94/55/541799455.db2.gz JDGOQELJWMEBCP-UHFFFAOYSA-N 0 3 350.470 2.209 40 0 FEABHN CNCC(=O)N1CCC(c2nccnc2Oc2ccccc2OC)CC1 ZINC000072363293 541801875 /nfs/dbraw/zinc/80/18/75/541801875.db2.gz FLMVSIYGBSJJSK-UHFFFAOYSA-N 0 3 356.426 2.203 40 0 FEABHN Cc1ccc2c(c1)CN(C(=O)[C@H](N)c1ccccc1)[C@H](CN(C)C)CO2 ZINC000072395242 541803955 /nfs/dbraw/zinc/80/39/55/541803955.db2.gz QCKSAKOZTZDKTA-UYAOXDASSA-N 0 3 353.466 2.346 40 0 FEABHN Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)[C@@H]3CCCCN3)nc(C)n2)n[nH]1 ZINC000072361485 541802164 /nfs/dbraw/zinc/80/21/64/541802164.db2.gz WEVCWGVPYOMIAT-HOCLYGCPSA-N 0 3 369.473 2.366 40 0 FEABHN Cc1c2ccccc2[nH]c1-c1cncn1CCN[C@H]1CCS(=O)(=O)C1 ZINC000019719639 211252103 /nfs/dbraw/zinc/25/21/03/211252103.db2.gz UUQBJSSAAFERBD-AWEZNQCLSA-N 0 3 358.467 2.117 40 0 FEABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1nonc1N ZINC000019590190 211237570 /nfs/dbraw/zinc/23/75/70/211237570.db2.gz FRDQLGASBZYCRZ-BFYDXBDKSA-N 0 3 355.442 2.134 40 0 FEABHN Cn1cc(S(=O)(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)cn1 ZINC000019716044 211249172 /nfs/dbraw/zinc/24/91/72/211249172.db2.gz SDGRTAQJZGMSSI-SFHVURJKSA-N 0 3 362.499 2.316 40 0 FEABHN CCOc1cc2c(cc1CN1CC[C@@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 ZINC000019532429 211229915 /nfs/dbraw/zinc/22/99/15/211229915.db2.gz VIQMGZUTPQLLEN-CYBMUJFWSA-N 0 3 357.410 2.195 40 0 FEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)Cn3nnc4ccccc43)C2)c1 ZINC000257339921 533046680 /nfs/dbraw/zinc/04/66/80/533046680.db2.gz ZDTCZZJHYYJJOI-AWEZNQCLSA-N 0 3 350.426 2.193 40 0 FEABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108789 222028542 /nfs/dbraw/zinc/02/85/42/222028542.db2.gz DXPUECCLUNFFIM-SJLPKXTDSA-N 0 3 352.500 2.343 40 0 FEABHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 ZINC000096245402 222098553 /nfs/dbraw/zinc/09/85/53/222098553.db2.gz QQRUZPDQQIKIFA-CALCHBBNSA-N 0 3 358.463 2.145 40 0 FEABHN CNC(=O)c1cc2c(nc1NC(C)C)CCN(Cc1ccccn1)CC2 ZINC000096260412 222102723 /nfs/dbraw/zinc/10/27/23/222102723.db2.gz KTQGHQVEAKKTPV-UHFFFAOYSA-N 0 3 353.470 2.257 40 0 FEABHN CCOC[C@@H]1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)N1C ZINC000096207573 222076283 /nfs/dbraw/zinc/07/62/83/222076283.db2.gz DTBOIVCZKWYSJK-INIZCTEOSA-N 0 3 352.500 2.341 40 0 FEABHN Cc1ccc(CN2CC[C@@]3(C2)CCC[C@H](CNS(C)(=O)=O)O3)s1 ZINC000096206066 222076353 /nfs/dbraw/zinc/07/63/53/222076353.db2.gz DNPLATDKGWQLKJ-GDBMZVCRSA-N 0 3 358.529 2.119 40 0 FEABHN COC[C@@H]1CCC2(CCN(Cc3ccccc3)CC2)N1S(C)(=O)=O ZINC000096218614 222083880 /nfs/dbraw/zinc/08/38/80/222083880.db2.gz YTYFSXISCABKMR-KRWDZBQOSA-N 0 3 352.500 2.092 40 0 FEABHN O=C(NC[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1ccsc1 ZINC000247501615 549346598 /nfs/dbraw/zinc/34/65/98/549346598.db2.gz QEFFCOUTEQOHSV-INIZCTEOSA-N 0 3 374.510 2.233 40 0 FEABHN C[C@H](N)C(=O)N(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393210 524816613 /nfs/dbraw/zinc/81/66/13/524816613.db2.gz MVDZQNSMUMSWJI-DOTOQJQBSA-N 0 3 359.470 2.373 40 0 FEABHN CC(=O)NC1CCN(C(=O)C2(Cc3ccccc3)CCN(C)CC2)CC1 ZINC000257325575 526702315 /nfs/dbraw/zinc/70/23/15/526702315.db2.gz WTOILCFQHLJLTN-UHFFFAOYSA-N 0 3 357.498 2.068 40 0 FEABHN CN[C@@H](C)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)OCc1ccccc1 ZINC000208765718 548665496 /nfs/dbraw/zinc/66/54/96/548665496.db2.gz ZNNNVFJEJZTFJU-KBXCAEBGSA-N 0 3 358.413 2.204 40 0 FEABHN NCC1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000218389168 548686723 /nfs/dbraw/zinc/68/67/23/548686723.db2.gz QIZZQDQJMCKMSM-HZPDHXFCSA-N 0 3 350.871 2.184 40 0 FEABHN NCC1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218391673 548686785 /nfs/dbraw/zinc/68/67/85/548686785.db2.gz GURRKONCLLDPSU-CVEARBPZSA-N 0 3 350.871 2.184 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218578135 548687355 /nfs/dbraw/zinc/68/73/55/548687355.db2.gz MXIPGHGGBRUCGT-ULQDDVLXSA-N 0 3 350.871 2.244 40 0 FEABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 ZINC000248118128 549406693 /nfs/dbraw/zinc/40/66/93/549406693.db2.gz MFGREFXBVQGPRC-XLIONFOSSA-N 0 3 357.454 2.120 40 0 FEABHN CN(Cc1ccco1)C[C@@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1 ZINC000248134060 549409353 /nfs/dbraw/zinc/40/93/53/549409353.db2.gz RCKDNTYZQKQPQY-INIZCTEOSA-N 0 3 371.485 2.253 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(N)CN)cc1 ZINC000252515713 549671952 /nfs/dbraw/zinc/67/19/52/549671952.db2.gz MXIPGHGGBRUCGT-GVDBMIGSSA-N 0 3 350.871 2.244 40 0 FEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382200 568286989 /nfs/dbraw/zinc/28/69/89/568286989.db2.gz KNQIJSUWMBVVED-UAFMIMERSA-N 0 3 371.456 2.183 40 0 biogenic,in-vitro FEABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1 ZINC000585284383 570494177 /nfs/dbraw/zinc/49/41/77/570494177.db2.gz XSYKPQMICHRCHE-HKUYNNGSSA-N 0 3 369.889 2.130 40 0 FEABHN Cc1cc(C(=O)N2Cc3ncn(C)c3C[C@H]2CN2CCC(C)CC2)no1 ZINC000585094925 571219741 /nfs/dbraw/zinc/21/97/41/571219741.db2.gz URNWQXPLYPKMNI-HNNXBMFYSA-N 0 3 357.458 2.016 40 0 FEABHN CC(C)CCN1CCC[C@]2(CC(C(=O)NCCCn3ccnc3)=NO2)C1 ZINC000585101336 571222232 /nfs/dbraw/zinc/22/22/32/571222232.db2.gz YVKDNIQOOQVDBP-IBGZPJMESA-N 0 3 361.490 2.046 40 0 FEABHN CN1CCC(CN2CC[C@@]3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1 ZINC000585100965 571222351 /nfs/dbraw/zinc/22/23/51/571222351.db2.gz MUVIVNKLHAUJBI-LJQANCHMSA-N 0 3 365.493 2.062 40 0 FEABHN O=S(=O)(c1ccccc1)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585112030 571225817 /nfs/dbraw/zinc/22/58/17/571225817.db2.gz HIRUKQRBIDGFJL-QGZVFWFLSA-N 0 3 360.483 2.115 40 0 FEABHN Cc1ccccc1S(=O)(=O)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585112879 571226297 /nfs/dbraw/zinc/22/62/97/571226297.db2.gz XTDSBRLASGRNJS-GOSISDBHSA-N 0 3 374.510 2.423 40 0 FEABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 ZINC000306134446 210053740 /nfs/dbraw/zinc/05/37/40/210053740.db2.gz NNPMQLWXGMZHHC-UHFFFAOYSA-N 0 3 368.485 2.042 40 0 FEABHN CN(C)C(=O)NCC[C@@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000306130118 210052079 /nfs/dbraw/zinc/05/20/79/210052079.db2.gz IWNMEQVYQUAQBY-SFHVURJKSA-N 0 3 355.486 2.219 40 0 FEABHN CCCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 ZINC000020140197 539672736 /nfs/dbraw/zinc/67/27/36/539672736.db2.gz FYMINBFSDHWSQQ-KRWDZBQOSA-N 0 3 350.511 2.111 40 0 FEABHN COc1ccc(CCN(C)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000000848835 219330930 /nfs/dbraw/zinc/33/09/30/219330930.db2.gz PGBOUWZYFIQFTP-UHFFFAOYSA-N 0 3 368.433 2.474 40 0 biogenic,in-vitro FEABHN CCc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccccc1 ZINC000040388325 540009814 /nfs/dbraw/zinc/00/98/14/540009814.db2.gz WRVAKNCWEMZRFC-UHFFFAOYSA-N 0 3 362.437 2.230 40 0 FEABHN CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCN(C)C2)cn1 ZINC000257335349 223069660 /nfs/dbraw/zinc/06/96/60/223069660.db2.gz YJUMFCVYSDPSES-MRXNPFEDSA-N 0 3 355.486 2.006 40 0 FEABHN O=C(c1cc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380524 541802828 /nfs/dbraw/zinc/80/28/28/541802828.db2.gz TWCRDULNNKDWPE-INIZCTEOSA-N 0 3 372.444 2.401 40 0 FEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000073743148 541994408 /nfs/dbraw/zinc/99/44/08/541994408.db2.gz NZBKPVHXANNCCI-GFCCVEGCSA-N 0 3 368.275 2.297 40 0 FEABHN CN1CCN(CCCNC(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000022934770 211370982 /nfs/dbraw/zinc/37/09/82/211370982.db2.gz IQLTUVWBTUADIP-UHFFFAOYSA-N 0 3 373.925 2.466 40 0 FEABHN CN1CCN(CCCNC(=O)CCCOc2ccc(Cl)cc2)CC1 ZINC000022933920 211370165 /nfs/dbraw/zinc/37/01/65/211370165.db2.gz DGDJRZQSOAOXNI-UHFFFAOYSA-N 0 3 353.894 2.253 40 0 FEABHN CNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019591948 211240908 /nfs/dbraw/zinc/24/09/08/211240908.db2.gz QNTZEMNTLHBYFY-QZTJIDSGSA-N 0 3 365.481 2.038 40 0 FEABHN COc1ccccc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019590561 211240099 /nfs/dbraw/zinc/24/00/99/211240099.db2.gz AKWPUKFKYOLQGR-KRWDZBQOSA-N 0 3 352.438 2.450 40 0 FEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)c3ccccn3)C2)c2cccnc21 ZINC000019583268 211239001 /nfs/dbraw/zinc/23/90/01/211239001.db2.gz VNXFTKFDEPBMJP-OAHLLOKOSA-N 0 3 364.453 2.018 40 0 FEABHN C[C@H](CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 ZINC000019455331 211222542 /nfs/dbraw/zinc/22/25/42/211222542.db2.gz STXWLTPUALOHSZ-QAPCUYQASA-N 0 3 368.485 2.366 40 0 FEABHN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(F)cc1F)CC2 ZINC000019293070 211214628 /nfs/dbraw/zinc/21/46/28/211214628.db2.gz QDFFOBSOUPJGEX-UHFFFAOYSA-N 0 3 360.408 2.249 40 0 FEABHN COc1ccc(NCc2n[nH]c([C@@H](N)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533829 542982549 /nfs/dbraw/zinc/98/25/49/542982549.db2.gz DGJAOJAGIJOPKI-SFHVURJKSA-N 0 3 369.425 2.491 40 0 FEABHN Cc1ccsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2cccnc2)C1 ZINC000096108512 222025862 /nfs/dbraw/zinc/02/58/62/222025862.db2.gz BETKIDRCYHLAAB-APWZRJJASA-N 0 3 357.479 2.330 40 0 FEABHN COc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)cc1 ZINC000096058260 222005546 /nfs/dbraw/zinc/00/55/46/222005546.db2.gz AODFTURNXNKDPB-HSALFYBXSA-N 0 3 358.482 2.448 40 0 FEABHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 ZINC000096066348 222011234 /nfs/dbraw/zinc/01/12/34/222011234.db2.gz OUROXTGYHCJDTR-CEXWTWQISA-N 0 3 355.438 2.218 40 0 FEABHN CN1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076180 222013154 /nfs/dbraw/zinc/01/31/54/222013154.db2.gz CGHLHFPFXSFFBI-SFHVURJKSA-N 0 3 362.861 2.172 40 0 FEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)NCc1ccco1 ZINC000096218128 222081312 /nfs/dbraw/zinc/08/13/12/222081312.db2.gz ODIXSHCJPGZXDM-BHIYHBOVSA-N 0 3 355.438 2.218 40 0 FEABHN Cn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)cn1 ZINC000096218092 222082672 /nfs/dbraw/zinc/08/26/72/222082672.db2.gz WZQDYRMUUKGCST-FQEVSTJZSA-N 0 3 353.470 2.362 40 0 FEABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228769 222089360 /nfs/dbraw/zinc/08/93/60/222089360.db2.gz HQFIBFVYWDQXRZ-NRFANRHFSA-N 0 3 371.481 2.369 40 0 FEABHN CC(=O)N1CC2(CCN(Cc3cccs3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000097952873 222218105 /nfs/dbraw/zinc/21/81/05/222218105.db2.gz PVCYIBYIBWBZCA-LJQANCHMSA-N 0 3 361.511 2.041 40 0 FEABHN CCN(C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 ZINC000079413308 521231762 /nfs/dbraw/zinc/23/17/62/521231762.db2.gz NIUUJVJDAOCBOI-ROUUACIJSA-N 0 3 361.486 2.477 40 0 FEABHN C[C@H](N)C(=O)N(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C1CC1 ZINC000079393214 524818111 /nfs/dbraw/zinc/81/81/11/524818111.db2.gz MVDZQNSMUMSWJI-RDJZCZTQSA-N 0 3 359.470 2.373 40 0 FEABHN CC(=O)NCc1cc([C@@H]2CCCN2C(=O)CN2CCCCCC2)ccn1 ZINC000257203708 526796854 /nfs/dbraw/zinc/79/68/54/526796854.db2.gz ARHAIKICMWZYCG-IBGZPJMESA-N 0 3 358.486 2.257 40 0 FEABHN CC(=O)NCc1cnc(CC2CCN(Cc3scnc3C)CC2)cn1 ZINC000257251714 526816311 /nfs/dbraw/zinc/81/63/11/526816311.db2.gz JRWKTNARPZOKFO-UHFFFAOYSA-N 0 3 359.499 2.332 40 0 FEABHN NC[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058109 548684091 /nfs/dbraw/zinc/68/40/91/548684091.db2.gz MOCLUVQWQPIJMY-IXDOHACOSA-N 0 3 351.855 2.217 40 0 FEABHN NC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662403 548688905 /nfs/dbraw/zinc/68/89/05/548688905.db2.gz IVOJQXDNJLFQSY-OWCLPIDISA-N 0 3 354.834 2.075 40 0 FEABHN CC(C)(C)CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 ZINC000225423892 548733666 /nfs/dbraw/zinc/73/36/66/548733666.db2.gz NBXFPCVGQJRCNJ-UHFFFAOYSA-N 0 3 353.532 2.305 40 0 biogenic,in-vitro FEABHN COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000247865054 549387824 /nfs/dbraw/zinc/38/78/24/549387824.db2.gz AINOKARUQDIYPO-GOSISDBHSA-N 0 3 372.444 2.253 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)CC1 ZINC000257307521 549726361 /nfs/dbraw/zinc/72/63/61/549726361.db2.gz SZBLOSCEKWJJPF-ZOBUZTSGSA-N 0 3 358.486 2.034 40 0 FEABHN O[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257312005 549726569 /nfs/dbraw/zinc/72/65/69/549726569.db2.gz ULZNLBVWJOFDFW-IRXDYDNUSA-N 0 3 358.404 2.311 40 0 FEABHN CN(C)CCN1c2ccccc2S[C@@H](c2ccc(O)cc2)[C@@H](O)C1=O ZINC000003599454 539371245 /nfs/dbraw/zinc/37/12/45/539371245.db2.gz QYKYTLTVPBXRNC-MSOLQXFVSA-N 0 3 358.463 2.495 40 0 in-vitro FEABHN CNCC(=O)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1 ZINC000257235914 529956414 /nfs/dbraw/zinc/95/64/14/529956414.db2.gz HABOMMFEJJLNJQ-UHFFFAOYSA-N 0 3 354.458 2.006 40 0 FEABHN CN(C)CCNc1nc(NCc2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000328960541 210126297 /nfs/dbraw/zinc/12/62/97/210126297.db2.gz AYYKKQWCXHWBKJ-UHFFFAOYSA-N 0 3 357.355 2.064 40 0 FEABHN CC1CCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC000012291417 539552347 /nfs/dbraw/zinc/55/23/47/539552347.db2.gz DSKBJTGIUKSWGY-SFHVURJKSA-N 0 3 352.500 2.164 40 0 FEABHN CN(C)C(=O)NCC[C@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000306130117 210050961 /nfs/dbraw/zinc/05/09/61/210050961.db2.gz IWNMEQVYQUAQBY-GOSISDBHSA-N 0 3 355.486 2.219 40 0 FEABHN O=C(c1cnccn1)N1CC2(C1)C[C@@H](COCC1CC1)CCN2CC1CC1 ZINC000306131047 210050907 /nfs/dbraw/zinc/05/09/07/210050907.db2.gz JVHOUHZHXLNKDS-SFHVURJKSA-N 0 3 370.497 2.220 40 0 FEABHN COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306133121 210054052 /nfs/dbraw/zinc/05/40/52/210054052.db2.gz MCSCUPZAODBYAV-UHFFFAOYSA-N 0 3 361.471 2.221 40 0 FEABHN CN(C)Cc1cc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n[nH]1 ZINC000019708944 539666599 /nfs/dbraw/zinc/66/65/99/539666599.db2.gz RPBILLWJWLIMIA-UHFFFAOYSA-N 0 3 370.453 2.262 40 0 FEABHN OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223566603 222784786 /nfs/dbraw/zinc/78/47/86/222784786.db2.gz ZZENTZKJTQIXBD-ZWKOTPCHSA-N 0 3 365.462 2.232 40 0 FEABHN Cc1nccc([C@@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 ZINC000257200735 223016910 /nfs/dbraw/zinc/01/69/10/223016910.db2.gz AERGVPXWNZYIMT-GOSISDBHSA-N 0 3 353.470 2.408 40 0 FEABHN O=C(/C=C/c1ccccc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257205738 223018535 /nfs/dbraw/zinc/01/85/35/223018535.db2.gz BAKDCVDLPVKGEX-IPLHWJFFSA-N 0 3 350.409 2.394 40 0 FEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257292359 223052702 /nfs/dbraw/zinc/05/27/02/223052702.db2.gz QLDALMAGWJNRLO-IBGZPJMESA-N 0 3 354.454 2.384 40 0 FEABHN O[C@H]1[C@H](Oc2cccc(F)c2)C[C@@H](Nc2ccncn2)[C@@H]1N1CCCCC1 ZINC000257323239 223065224 /nfs/dbraw/zinc/06/52/24/223065224.db2.gz WJHLQNDTICMXRI-JYBIWHBTSA-N 0 3 372.444 2.463 40 0 FEABHN Cn1ccnc1C(=O)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355222 541801492 /nfs/dbraw/zinc/80/14/92/541801492.db2.gz LPJYVWFLZDIRFN-QGZVFWFLSA-N 0 3 367.497 2.374 40 0 FEABHN COc1ccc(-c2cc(CC3(NC4CCN(C)CC4)COC3)no2)cc1 ZINC000067898356 211279832 /nfs/dbraw/zinc/27/98/32/211279832.db2.gz HFQGPJSTQUKEBT-UHFFFAOYSA-N 0 3 357.454 2.346 40 0 biogenic,in-vitro FEABHN COc1ccccc1CCC(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569818 211236533 /nfs/dbraw/zinc/23/65/33/211236533.db2.gz HTIBKLNODIENIZ-INIZCTEOSA-N 0 3 366.465 2.080 40 0 FEABHN CC1CCN([C@H](CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1 ZINC000019655290 211243582 /nfs/dbraw/zinc/24/35/82/211243582.db2.gz POVLIMFYPFZJSG-OAHLLOKOSA-N 0 3 359.499 2.252 40 0 FEABHN COc1ccc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019554545 211231865 /nfs/dbraw/zinc/23/18/65/211231865.db2.gz IAKFHEKVKWUSNS-IBGZPJMESA-N 0 3 366.465 2.427 40 0 FEABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1CO ZINC000019291372 211212739 /nfs/dbraw/zinc/21/27/39/211212739.db2.gz HKHAUOIDMQHNGH-HTZLVSCSSA-N 0 3 371.481 2.041 40 0 FEABHN COc1ccc(CN2CCC3(CC2)CN(c2ncc(F)cn2)CCO3)cc1 ZINC000096049009 132217202 /nfs/dbraw/zinc/21/72/02/132217202.db2.gz LXRXWRDSGWMUHN-UHFFFAOYSA-N 0 3 372.444 2.496 40 0 FEABHN COCCN1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CCN2CC(C)C ZINC000096230376 132223031 /nfs/dbraw/zinc/22/30/31/132223031.db2.gz OXTKONVPXHPSAK-UHFFFAOYSA-N 0 3 374.529 2.176 40 0 FEABHN Cn1nccc1CN1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108525070 543292534 /nfs/dbraw/zinc/29/25/34/543292534.db2.gz JGOSBOSKOZGXLR-HXUWFJFHSA-N 0 3 360.502 2.051 40 0 FEABHN CN(C)C(=O)COC[C@]12CCCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096056954 222005978 /nfs/dbraw/zinc/00/59/78/222005978.db2.gz ANLKBCPSDAQKCA-SJLPKXTDSA-N 0 3 352.500 2.224 40 0 FEABHN COc1cccc(CN2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244008 222099309 /nfs/dbraw/zinc/09/93/09/222099309.db2.gz QEKWDKKNADOBQN-HXUWFJFHSA-N 0 3 354.454 2.225 40 0 FEABHN O=C([C@@H]1CCOC1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216470 222081853 /nfs/dbraw/zinc/08/18/53/222081853.db2.gz XYGRHSGZEDFHEY-WIYYLYMNSA-N 0 3 358.482 2.416 40 0 FEABHN O=C(NC[C@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1ccsc1 ZINC000247501619 549346130 /nfs/dbraw/zinc/34/61/30/549346130.db2.gz QEFFCOUTEQOHSV-MRXNPFEDSA-N 0 3 374.510 2.233 40 0 FEABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575296 263374519 /nfs/dbraw/zinc/37/45/19/263374519.db2.gz GWESWVVAKDTQOU-NSISKUIASA-N 0 3 353.466 2.300 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccnc3)C[C@@H]1C2 ZINC000306129750 534383877 /nfs/dbraw/zinc/38/38/77/534383877.db2.gz ILQSNCWFNJGINY-IRXDYDNUSA-N 0 3 374.448 2.230 40 0 FEABHN NCC1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218057887 548683126 /nfs/dbraw/zinc/68/31/26/548683126.db2.gz LKQRYSGABRKABZ-HOTGVXAUSA-N 0 3 350.871 2.184 40 0 FEABHN CN1CCC(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 ZINC000225766150 548743146 /nfs/dbraw/zinc/74/31/46/548743146.db2.gz YQXZXZQGYIKDAQ-JXAWBTAJSA-N 0 3 353.422 2.261 40 0 FEABHN COC[C@@H]1CN(Cc2cccc(C)n2)CC12CCN(C(=O)C1CC1)CC2 ZINC000247866340 549387133 /nfs/dbraw/zinc/38/71/33/549387133.db2.gz ITFGUXTUGAKHRV-SFHVURJKSA-N 0 3 357.498 2.487 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@@H]43)n2)C[C@@H](C)O1 ZINC000253603373 549698476 /nfs/dbraw/zinc/69/84/76/549698476.db2.gz KJIXZEHJTYWXJD-LIEJCIORSA-N 0 3 360.502 2.216 40 0 FEABHN COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CN3CCC(C)C)C2)c1 ZINC000585107988 571225096 /nfs/dbraw/zinc/22/50/96/571225096.db2.gz QHMAYYIEARWFPT-YJBOKZPZSA-N 0 3 352.500 2.436 40 0 FEABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 ZINC000003956013 539374354 /nfs/dbraw/zinc/37/43/54/539374354.db2.gz RNZWVGRNVNUQBG-UHFFFAOYSA-N 0 3 351.454 2.390 40 0 FEABHN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCN(Cc2scnc2C)C1 ZINC000257250562 529953834 /nfs/dbraw/zinc/95/38/34/529953834.db2.gz JNAGDUHYAHBLIU-CYBMUJFWSA-N 0 3 370.482 2.233 40 0 FEABHN NC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662619 222685491 /nfs/dbraw/zinc/68/54/91/222685491.db2.gz IVOJQXDNJLFQSY-JYJNAYRXSA-N 0 3 354.834 2.075 40 0 FEABHN O=C1N[C@]2(COC3(C2)CCN(Cc2cccnc2)CC3)Nc2ccccc21 ZINC000012085520 539542968 /nfs/dbraw/zinc/54/29/68/539542968.db2.gz HZJXRPBOLHAKJQ-OAQYLSRUSA-N 0 3 364.449 2.388 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306124365 210048116 /nfs/dbraw/zinc/04/81/16/210048116.db2.gz BNPLARKLEQLRQW-KBPBESRZSA-N 0 3 371.872 2.128 40 0 FEABHN CNCC(=O)N1CCC[C@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 ZINC000072360909 541801956 /nfs/dbraw/zinc/80/19/56/541801956.db2.gz FAIWFFTYXYVSBR-HNNXBMFYSA-N 0 3 354.458 2.157 40 0 FEABHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1F ZINC000030752994 211523981 /nfs/dbraw/zinc/52/39/81/211523981.db2.gz QHRKRWOWFIYQKZ-KBPBESRZSA-N 0 3 358.479 2.481 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)ncc2C1 ZINC000019590532 211240179 /nfs/dbraw/zinc/24/01/79/211240179.db2.gz SPJKPCBNAUJQIL-KRWDZBQOSA-N 0 3 366.469 2.044 40 0 FEABHN Cc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019579994 211239158 /nfs/dbraw/zinc/23/91/58/211239158.db2.gz CWFNOJGUZQFMJW-CQSZACIVSA-N 0 3 355.442 2.089 40 0 FEABHN Cn1ccc(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)n1 ZINC000019715564 211248785 /nfs/dbraw/zinc/24/87/85/211248785.db2.gz KCLSILUWRMHGCY-ZDUSSCGKSA-N 0 3 370.432 2.329 40 0 FEABHN COc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(OC)c1 ZINC000019551964 211231683 /nfs/dbraw/zinc/23/16/83/211231683.db2.gz GUGDJADZNBIFPB-KRWDZBQOSA-N 0 3 368.437 2.117 40 0 FEABHN CCc1ncc(CN2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cn1 ZINC000019523360 211228422 /nfs/dbraw/zinc/22/84/22/211228422.db2.gz BNKQQAMODIHDIU-UHFFFAOYSA-N 0 3 352.486 2.197 40 0 FEABHN CCN(CC)C(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccccc2C1=O ZINC000019526141 211228121 /nfs/dbraw/zinc/22/81/21/211228121.db2.gz URLRJUGJHOXNCH-INIZCTEOSA-N 0 3 373.497 2.243 40 0 FEABHN COc1ccc([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000101039185 543026389 /nfs/dbraw/zinc/02/63/89/543026389.db2.gz HRDVPEGYZCNYSZ-LSDHHAIUSA-N 0 3 365.474 2.303 40 0 FEABHN Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108531080 543292495 /nfs/dbraw/zinc/29/24/95/543292495.db2.gz LSFQFOHLKCPYJP-WBVHZDCISA-N 0 3 352.429 2.326 40 0 FEABHN O=C(NCC[C@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1ccco1 ZINC000247493876 549343455 /nfs/dbraw/zinc/34/34/55/549343455.db2.gz NPZZUPTUUXAXOU-QGZVFWFLSA-N 0 3 372.469 2.155 40 0 FEABHN Cc1ccc(CN2CC[C@H]3OC[C@@H](C(=O)N4CCCO4)C[C@H]3C2)s1 ZINC000096111209 222029701 /nfs/dbraw/zinc/02/97/01/222029701.db2.gz VMIWFRXMUCNLQG-YQQAZPJKSA-N 0 3 350.484 2.447 40 0 FEABHN Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)Nc3ccccc3)[C@H]2O)cc1 ZINC000096111603 222030120 /nfs/dbraw/zinc/03/01/20/222030120.db2.gz ACMNMTMMEAIRBK-QRVBRYPASA-N 0 3 355.438 2.035 40 0 biogenic,in-vitro FEABHN CN(Cc1cccnc1)C1CC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096159251 222058426 /nfs/dbraw/zinc/05/84/26/222058426.db2.gz WREPOZUGPHCHEH-UHFFFAOYSA-N 0 3 351.454 2.388 40 0 FEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccccn3)CC[C@H]21)Nc1cccnc1 ZINC000096208400 222077928 /nfs/dbraw/zinc/07/79/28/222077928.db2.gz ZTDDZUVQRAWEIJ-LZQZEXGQSA-N 0 3 352.438 2.342 40 0 FEABHN COC[C@@H]1CC2(CN1C)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000096215499 222080248 /nfs/dbraw/zinc/08/02/48/222080248.db2.gz KEHZWUWBOMZFPA-INIZCTEOSA-N 0 3 352.500 2.116 40 0 FEABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)COC(C)C)CC2)nn1C ZINC000100687642 222249597 /nfs/dbraw/zinc/24/95/97/222249597.db2.gz SSHGQGQRZQAPBY-IYBDPMFKSA-N 0 3 350.507 2.297 40 0 FEABHN O=C(/C=C/c1cccs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257322003 534780278 /nfs/dbraw/zinc/78/02/78/534780278.db2.gz WEFYQEWYFNURCR-CWDCEQMOSA-N 0 3 356.438 2.456 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218393119 548686231 /nfs/dbraw/zinc/68/62/31/548686231.db2.gz TWABFINPXPMDFF-SJORKVTESA-N 0 3 364.898 2.492 40 0 FEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218458763 548688144 /nfs/dbraw/zinc/68/81/44/548688144.db2.gz OVMFRLTZNCIPHT-AQNXPRMDSA-N 0 3 359.491 2.435 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218577881 548688160 /nfs/dbraw/zinc/68/81/60/548688160.db2.gz MXIPGHGGBRUCGT-ZACQAIPSSA-N 0 3 350.871 2.244 40 0 FEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218653510 548689222 /nfs/dbraw/zinc/68/92/22/548689222.db2.gz LKTKXNZPVNDZGW-FGTMMUONSA-N 0 3 364.898 2.498 40 0 FEABHN COC[C@@H]1CN(Cc2ccccn2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247839821 549385358 /nfs/dbraw/zinc/38/53/58/549385358.db2.gz KKVJWXHENSMRMZ-INIZCTEOSA-N 0 3 370.453 2.070 40 0 FEABHN COC[C@H]1CN(C(C)=O)CC12CCN(CCOCc1ccccc1)CC2 ZINC000247913629 549390676 /nfs/dbraw/zinc/39/06/76/549390676.db2.gz FBVCIUZEKZIYFG-HXUWFJFHSA-N 0 3 360.498 2.410 40 0 FEABHN COC[C@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1ccnn1C)CC2 ZINC000248072063 549405104 /nfs/dbraw/zinc/40/51/04/549405104.db2.gz XXYJRMJFCFIORR-MRXNPFEDSA-N 0 3 372.469 2.014 40 0 FEABHN Cc1ncoc1C(=O)N1CC2(C1)CC[C@H](CN(C)Cc1ccco1)CO2 ZINC000248085670 549405805 /nfs/dbraw/zinc/40/58/05/549405805.db2.gz DKCLCPSANQCTJI-OAHLLOKOSA-N 0 3 359.426 2.329 40 0 FEABHN Cc1cc(C(=O)N2CC3(C2)CC[C@H](CN(C)Cc2ccco2)CO3)on1 ZINC000248153259 549412279 /nfs/dbraw/zinc/41/22/79/549412279.db2.gz YITZLONHCGKYAJ-OAHLLOKOSA-N 0 3 359.426 2.329 40 0 FEABHN OCCOc1cccc(CN2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273575 570486431 /nfs/dbraw/zinc/48/64/31/570486431.db2.gz WTHJXIZZULTIDM-NRFANRHFSA-N 0 3 357.450 2.464 40 0 FEABHN CN(C)C(=O)CC[C@]1(O)CCCN(CCCOc2ccccc2F)C1 ZINC000585278632 570490768 /nfs/dbraw/zinc/49/07/68/570490768.db2.gz PKQWQKMQMQHFPY-LJQANCHMSA-N 0 3 352.450 2.290 40 0 FEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCC1 ZINC000585283047 570493054 /nfs/dbraw/zinc/49/30/54/570493054.db2.gz PADUXZZIHGRLAS-GOSISDBHSA-N 0 3 355.862 2.087 40 0 FEABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104696 571224017 /nfs/dbraw/zinc/22/40/17/571224017.db2.gz RIKBTHFFNLBLTA-FQEVSTJZSA-N 0 3 352.438 2.041 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCC(=O)N(C)C)o1 ZINC000585105075 571224324 /nfs/dbraw/zinc/22/43/24/571224324.db2.gz OUHCBUMTPVZTRA-QGZVFWFLSA-N 0 3 364.486 2.454 40 0 FEABHN O=S(=O)(c1ccccc1)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585112028 571225830 /nfs/dbraw/zinc/22/58/30/571225830.db2.gz HIRUKQRBIDGFJL-KRWDZBQOSA-N 0 3 360.483 2.115 40 0 FEABHN CN(C)CCN1c2ccccc2S[C@H](c2ccc(O)cc2)[C@@H](O)C1=O ZINC000003599458 539371266 /nfs/dbraw/zinc/37/12/66/539371266.db2.gz QYKYTLTVPBXRNC-QZTJIDSGSA-N 0 3 358.463 2.495 40 0 in-vitro FEABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2S(=O)(=O)c1cn[nH]c1 ZINC000257200435 530053084 /nfs/dbraw/zinc/05/30/84/530053084.db2.gz ADIAWPNGYPAPIJ-OKZBNKHCSA-N 0 3 360.483 2.398 40 0 FEABHN COc1cccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c1 ZINC000329011524 210131758 /nfs/dbraw/zinc/13/17/58/210131758.db2.gz MGKMXAIHIOLZPW-UHFFFAOYSA-N 0 3 364.453 2.108 40 0 FEABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(C(=O)Cc3ccccn3)C2)C1 ZINC000306140578 210057357 /nfs/dbraw/zinc/05/73/57/210057357.db2.gz UXQJNAIHZJRKTK-SFHVURJKSA-N 0 3 357.498 2.364 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306140039 210056364 /nfs/dbraw/zinc/05/63/64/210056364.db2.gz UHZNTWWLIZXWRK-HUUCEWRRSA-N 0 3 373.888 2.374 40 0 FEABHN Cn1cc(C(=O)N2CC3(C2)C[C@@H](COCC2CC2)CCN3CC2CC2)cn1 ZINC000306144920 210059851 /nfs/dbraw/zinc/05/98/51/210059851.db2.gz ZSENMVRAASBQJH-SFHVURJKSA-N 0 3 372.513 2.163 40 0 FEABHN COc1ncccc1CN1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC000306125042 210049626 /nfs/dbraw/zinc/04/96/26/210049626.db2.gz CFMFPAVUCAFVCZ-FOIQADDNSA-N 0 3 352.438 2.360 40 0 FEABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 ZINC000012362923 539556519 /nfs/dbraw/zinc/55/65/19/539556519.db2.gz UMNKUTHNZANKTR-INIZCTEOSA-N 0 3 370.497 2.340 40 0 FEABHN COc1cc(F)ccc1CC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000247865061 222952519 /nfs/dbraw/zinc/95/25/19/222952519.db2.gz AINOKARUQDIYPO-SFHVURJKSA-N 0 3 372.444 2.253 40 0 FEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccnn3C(C)C)CCO2)n1 ZINC000257215649 223023581 /nfs/dbraw/zinc/02/35/81/223023581.db2.gz CRAKDSQACVPUNS-GOSISDBHSA-N 0 3 357.458 2.447 40 0 FEABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257310246 223060439 /nfs/dbraw/zinc/06/04/39/223060439.db2.gz UEJJLVBCALWGDY-AWEZNQCLSA-N 0 3 350.430 2.421 40 0 FEABHN CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCN(C)C2)cn1 ZINC000257335348 223069286 /nfs/dbraw/zinc/06/92/86/223069286.db2.gz YJUMFCVYSDPSES-INIZCTEOSA-N 0 3 355.486 2.006 40 0 FEABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C4CC4)on2)C3)CC1 ZINC000019588312 211237705 /nfs/dbraw/zinc/23/77/05/211237705.db2.gz JSZKAVGEYAIZFJ-UHFFFAOYSA-N 0 3 367.453 2.350 40 0 FEABHN COCCN1Cc2cccc(C(=O)NCC(C)(C)N3CCCCC3)c2C1=O ZINC000019656569 211243048 /nfs/dbraw/zinc/24/30/48/211243048.db2.gz VMPAETIDNUJYIT-UHFFFAOYSA-N 0 3 373.497 2.283 40 0 FEABHN COc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(OC)c1 ZINC000019551966 211229743 /nfs/dbraw/zinc/22/97/43/211229743.db2.gz GUGDJADZNBIFPB-QGZVFWFLSA-N 0 3 368.437 2.117 40 0 FEABHN C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019497974 211226684 /nfs/dbraw/zinc/22/66/84/211226684.db2.gz ZZNPZZLZZYARCZ-SCLBCKFNSA-N 0 3 364.449 2.423 40 0 FEABHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[n-]1 ZINC000019285239 211211717 /nfs/dbraw/zinc/21/17/17/211211717.db2.gz YJOBXYNRYFSNQF-MRXNPFEDSA-N 0 3 352.438 2.195 40 0 FEABHN Cc1nc([C@@H]2CC[N@H+](Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[n-]1 ZINC000019285239 211211713 /nfs/dbraw/zinc/21/17/13/211211713.db2.gz YJOBXYNRYFSNQF-MRXNPFEDSA-N 0 3 352.438 2.195 40 0 FEABHN O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019335730 211216230 /nfs/dbraw/zinc/21/62/30/211216230.db2.gz LHWMMZPGNFPKLS-GOSISDBHSA-N 0 3 370.428 2.394 40 0 FEABHN Cc1cc(C)cc(CN2C[C@@H]3[C@H](C2)OCCN3c2ccnc(N(C)C)n2)c1 ZINC000096248873 132224192 /nfs/dbraw/zinc/22/41/92/132224192.db2.gz HIFTUFZMBOSJAA-MOPGFXCFSA-N 0 3 367.497 2.249 40 0 FEABHN Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)o1 ZINC000096039763 542988673 /nfs/dbraw/zinc/98/86/73/542988673.db2.gz VFEKKIMUKKVBCV-PKOBYXMFSA-N 0 3 350.459 2.064 40 0 FEABHN COc1ccc(CN2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096047570 542989464 /nfs/dbraw/zinc/98/94/64/542989464.db2.gz GQGJJUPTGWJLGK-LPHOPBHVSA-N 0 3 358.417 2.470 40 0 FEABHN CN(C)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(CCOc2ccc(Cl)cc2)C1 ZINC000107710866 543276706 /nfs/dbraw/zinc/27/67/06/543276706.db2.gz ZKESXOIOSVQTTE-KBRIMQKVSA-N 0 3 352.862 2.286 40 0 FEABHN Cn1nccc1CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108532880 543293066 /nfs/dbraw/zinc/29/30/66/543293066.db2.gz PAAPQWNEJHDVMJ-DOTOQJQBSA-N 0 3 352.429 2.326 40 0 FEABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)s1 ZINC000096052360 222003181 /nfs/dbraw/zinc/00/31/81/222003181.db2.gz XTNFVQYXNLFNER-IEBWSBKVSA-N 0 3 366.527 2.139 40 0 FEABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 ZINC000096065010 222010579 /nfs/dbraw/zinc/01/05/79/222010579.db2.gz QYXIRPYNGOWEOP-AEFFLSMTSA-N 0 3 352.500 2.338 40 0 FEABHN COc1cccc(CNC(=O)c2ccc3nnc([C@H]4CCN(C)C4)n3c2)c1 ZINC000096267434 222107852 /nfs/dbraw/zinc/10/78/52/222107852.db2.gz JFEGFHVSQYAESN-HNNXBMFYSA-N 0 3 365.437 2.087 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2cccnc2)CCO3)o1 ZINC000096158941 222058897 /nfs/dbraw/zinc/05/88/97/222058897.db2.gz BLDWWTSLQYQOEZ-UHFFFAOYSA-N 0 3 355.438 2.490 40 0 FEABHN O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1cccc(F)c1)C2 ZINC000096218567 222083681 /nfs/dbraw/zinc/08/36/81/222083681.db2.gz ODNZFMMQNZRVJR-OXJNMPFZSA-N 0 3 355.413 2.238 40 0 FEABHN COC[C@H]1CCC2(CCN(Cc3ccccc3)CC2)N1S(C)(=O)=O ZINC000096218615 222084433 /nfs/dbraw/zinc/08/44/33/222084433.db2.gz YTYFSXISCABKMR-QGZVFWFLSA-N 0 3 352.500 2.092 40 0 FEABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000096228869 222089201 /nfs/dbraw/zinc/08/92/01/222089201.db2.gz DLDLQCNYICXOBE-FQEVSTJZSA-N 0 3 356.470 2.148 40 0 FEABHN CN1CCN(Cc2cccnc2)[C@@]2(CCN(Cc3ccsc3)C2)C1=O ZINC000096229605 222090720 /nfs/dbraw/zinc/09/07/20/222090720.db2.gz UTKVTQWUSKNFKT-LJQANCHMSA-N 0 3 356.495 2.062 40 0 FEABHN OC[C@H]1CC[C@@H](NC2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 ZINC000100042123 222233432 /nfs/dbraw/zinc/23/34/32/222233432.db2.gz MBIGCGKIWPYRLM-QAQDUYKDSA-N 0 3 363.502 2.113 40 0 biogenic,in-vitro FEABHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCc3ccccc3F)C2=O)cc1 ZINC000019929958 519721143 /nfs/dbraw/zinc/72/11/43/519721143.db2.gz VHZYBAABCGBZHM-GOSISDBHSA-N 0 3 369.396 2.248 40 0 FEABHN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(CC1CC1)C2 ZINC000257250147 526908654 /nfs/dbraw/zinc/90/86/54/526908654.db2.gz JLFQMMSNTQZITL-NJDAHSKKSA-N 0 3 355.482 2.197 40 0 FEABHN CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257327670 528393983 /nfs/dbraw/zinc/39/39/83/528393983.db2.gz XCFWRPGWBROWQK-ONTIZHBOSA-N 0 3 373.541 2.002 40 0 FEABHN CN(CCC(=O)N[C@@H]1CCCN(c2ccccn2)C1)Cc1cccnc1 ZINC000257242665 536305864 /nfs/dbraw/zinc/30/58/64/536305864.db2.gz IDOSPNAPOWODTH-GOSISDBHSA-N 0 3 353.470 2.084 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218393045 548686564 /nfs/dbraw/zinc/68/65/64/548686564.db2.gz TWABFINPXPMDFF-IAGOWNOFSA-N 0 3 364.898 2.492 40 0 FEABHN NC[C@@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663565 548688621 /nfs/dbraw/zinc/68/86/21/548688621.db2.gz KVNGUSYHLWIQQR-HRCADAONSA-N 0 3 354.834 2.075 40 0 FEABHN Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CN4CCOCC4)O3)C2)s1 ZINC000248128711 549409175 /nfs/dbraw/zinc/40/91/75/549409175.db2.gz XTNFVQYXNLFNER-HKUYNNGSSA-N 0 3 366.527 2.139 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)s1 ZINC000248157347 549411888 /nfs/dbraw/zinc/41/18/88/549411888.db2.gz WBJDEQULGOTBSA-QGPMSJSTSA-N 0 3 359.495 2.272 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515154 549672168 /nfs/dbraw/zinc/67/21/68/549672168.db2.gz HQWCVMQDADPXSM-NLWGTHIKSA-N 0 3 373.474 2.443 40 0 FEABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382400 568286978 /nfs/dbraw/zinc/28/69/78/568286978.db2.gz QPJSGGISRHAMEB-UAFMIMERSA-N 0 3 373.472 2.429 40 0 biogenic,in-vitro FEABHN Cn1cccc1/C=C(/NC(=O)c1ccccc1)C(=O)NCCN1CCCC1 ZINC000004983560 539398149 /nfs/dbraw/zinc/39/81/49/539398149.db2.gz NDUDDTBVPADUMD-KNTRCKAVSA-N 0 3 366.465 2.008 40 0 FEABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC(C)(C(N)=O)CC2)CC1 ZINC000257327146 530049623 /nfs/dbraw/zinc/04/96/23/530049623.db2.gz XAEAPXISDVYHQH-UHFFFAOYSA-N 0 3 357.498 2.055 40 0 FEABHN CCN(CC)CC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 ZINC000012274897 539552175 /nfs/dbraw/zinc/55/21/75/539552175.db2.gz ZTGVPPBLXLFNQW-UHFFFAOYSA-N 0 3 368.481 2.382 40 0 FEABHN COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc1 ZINC000012328638 539555310 /nfs/dbraw/zinc/55/53/10/539555310.db2.gz NAARWHSQVGWYJT-MRXNPFEDSA-N 0 3 365.441 2.051 40 0 FEABHN O=C(NCCN1CCOCC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030944340 539894594 /nfs/dbraw/zinc/89/45/94/539894594.db2.gz NSPJBTQZJSTGNM-QGZVFWFLSA-N 0 3 365.905 2.000 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 ZINC000306124409 223106672 /nfs/dbraw/zinc/10/66/72/223106672.db2.gz BPEYMVBNGMGNCZ-CABCVRRESA-N 0 3 369.444 2.004 40 0 FEABHN CN(C)CCNc1nc(Nc2cc(F)ccc2F)cc(-c2ccccn2)n1 ZINC000329064684 223131824 /nfs/dbraw/zinc/13/18/24/223131824.db2.gz XLPUPEAHZBTLQK-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CN(C)CCNc1nc(NCCc2ccccc2)cc(-c2cccnc2)n1 ZINC000329002858 223128275 /nfs/dbraw/zinc/12/82/75/223128275.db2.gz KKFRLJXHTBFJIL-UHFFFAOYSA-N 0 3 362.481 2.011 40 0 FEABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390814 541804041 /nfs/dbraw/zinc/80/40/41/541804041.db2.gz MCTMSMYSOVNEBQ-UGSOOPFHSA-N 0 3 370.428 2.392 40 0 FEABHN CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)[nH]n1 ZINC000019083620 220236269 /nfs/dbraw/zinc/23/62/69/220236269.db2.gz GFWUCCRYULIKDD-CYBMUJFWSA-N 0 3 368.485 2.163 40 0 FEABHN CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)[nH]n1 ZINC000019451893 220258298 /nfs/dbraw/zinc/25/82/98/220258298.db2.gz XBYLRLJYUSDECW-CQSZACIVSA-N 0 3 368.485 2.331 40 0 FEABHN COc1ccc(C(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000257302602 533310137 /nfs/dbraw/zinc/31/01/37/533310137.db2.gz SDNJVBADWYXDOA-QGZVFWFLSA-N 0 3 354.397 2.003 40 0 FEABHN COc1cccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c1 ZINC000328980360 533591977 /nfs/dbraw/zinc/59/19/77/533591977.db2.gz GLLRDVILVOHFED-UHFFFAOYSA-N 0 3 364.453 2.108 40 0 FEABHN Cc1ccoc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCCN(C)C)C1 ZINC000096039554 542987837 /nfs/dbraw/zinc/98/78/37/542987837.db2.gz UNVCUNIJZAQXAC-APWZRJJASA-N 0 3 350.459 2.178 40 0 FEABHN O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 ZINC000096042719 542988303 /nfs/dbraw/zinc/98/83/03/542988303.db2.gz MWSUBNRODVMWIK-XUVXKRRUSA-N 0 3 358.482 2.209 40 0 FEABHN CN1C[C@H](COCC2CC2)[C@H]2CCN(Cc3ccncc3)CC[C@H]2C1=O ZINC000096041110 542988527 /nfs/dbraw/zinc/98/85/27/542988527.db2.gz IQRZJWPGGWIKLN-VAMGGRTRSA-N 0 3 357.498 2.425 40 0 FEABHN CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1ccsc1)C2 ZINC000096056955 222004266 /nfs/dbraw/zinc/00/42/66/222004266.db2.gz ANLKBCPSDAQKCA-WMZOPIPTSA-N 0 3 352.500 2.224 40 0 FEABHN Cc1nc(CN2CCCn3c(=O)cc(CN4CCCC4)nc3C2)cs1 ZINC000096059577 222007677 /nfs/dbraw/zinc/00/76/77/222007677.db2.gz DKHZCNMYSJSQCC-UHFFFAOYSA-N 0 3 359.499 2.010 40 0 FEABHN O=C(c1ccnnc1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158381 222058844 /nfs/dbraw/zinc/05/88/44/222058844.db2.gz OYGCQZBWTNHFFZ-UHFFFAOYSA-N 0 3 351.454 2.390 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccoc1)C2)NCCc1ccccc1 ZINC000096206634 222076658 /nfs/dbraw/zinc/07/66/58/222076658.db2.gz LVIQOUKZHMAXCI-CTNGQTDRSA-N 0 3 354.450 2.477 40 0 FEABHN COC[C@H]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1C ZINC000096207986 222078408 /nfs/dbraw/zinc/07/84/08/222078408.db2.gz YARWJMPAZRWNBA-OAHLLOKOSA-N 0 3 356.463 2.090 40 0 FEABHN CN(C)C[C@H]1O[C@H](Cc2cc(CN(C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000085435931 521881064 /nfs/dbraw/zinc/88/10/64/521881064.db2.gz NXQGYHSPCDAGKY-SESVDKBCSA-N 0 3 373.497 2.319 40 0 biogenic,in-vitro FEABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306141851 527730517 /nfs/dbraw/zinc/73/05/17/527730517.db2.gz WIHLXUQADWDBJF-UHFFFAOYSA-N 0 3 368.485 2.040 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218046481 548683788 /nfs/dbraw/zinc/68/37/88/548683788.db2.gz JVEFSRVRWZLJPV-BJLQDIEVSA-N 0 3 373.474 2.443 40 0 FEABHN NC[C@@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662538 548688573 /nfs/dbraw/zinc/68/85/73/548688573.db2.gz IVOJQXDNJLFQSY-HRCADAONSA-N 0 3 354.834 2.075 40 0 FEABHN NC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663406 548689053 /nfs/dbraw/zinc/68/90/53/548689053.db2.gz KVNGUSYHLWIQQR-OWCLPIDISA-N 0 3 354.834 2.075 40 0 FEABHN COC[C@H]1CN(Cc2cccc(C)n2)CC12CCN(C(=O)C1CC1)CC2 ZINC000247866337 549387648 /nfs/dbraw/zinc/38/76/48/549387648.db2.gz ITFGUXTUGAKHRV-GOSISDBHSA-N 0 3 357.498 2.487 40 0 FEABHN O[C@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCOCC2)C1 ZINC000585282699 570493071 /nfs/dbraw/zinc/49/30/71/570493071.db2.gz NAGAIMVZZFJXRF-KRWDZBQOSA-N 0 3 359.825 2.100 40 0 FEABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cn1 ZINC000585099826 571221930 /nfs/dbraw/zinc/22/19/30/571221930.db2.gz CZURMTBYVSKEDG-UYAOXDASSA-N 0 3 360.502 2.429 40 0 FEABHN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCN2CCC[C@@H]2C1 ZINC000002770806 539352997 /nfs/dbraw/zinc/35/29/97/539352997.db2.gz CNTOBWGQXPVWRS-GFCCVEGCSA-N 0 3 361.396 2.465 40 0 FEABHN C[C@H]1CCCCN1CC(=O)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019496332 539657929 /nfs/dbraw/zinc/65/79/29/539657929.db2.gz PGKPIPGUSCGULC-DLBZAZTESA-N 0 3 372.513 2.160 40 0 FEABHN OC1(c2csc(CN3CCOCC3)n2)CCN(C2CCCC2)CC1 ZINC000225467823 222843971 /nfs/dbraw/zinc/84/39/71/222843971.db2.gz KUZUZOHZUDZHDX-UHFFFAOYSA-N 0 3 351.516 2.201 40 0 biogenic,in-vitro FEABHN CCc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccccc3)n2n1 ZINC000038828708 540001003 /nfs/dbraw/zinc/00/10/03/540001003.db2.gz JZZNLCZUTRNSOD-UHFFFAOYSA-N 0 3 362.437 2.230 40 0 FEABHN CCN1CCN(C[C@@H](O)COCCOc2ccc(C(C)C)cc2)CC1 ZINC000040373245 540009779 /nfs/dbraw/zinc/00/97/79/540009779.db2.gz XCDVXOUJHSIACL-LJQANCHMSA-N 0 3 350.503 2.204 40 0 FEABHN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000257279193 223048730 /nfs/dbraw/zinc/04/87/30/223048730.db2.gz OFLRLDHHIVJJHQ-MRXNPFEDSA-N 0 3 364.453 2.206 40 0 FEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000257322915 223065977 /nfs/dbraw/zinc/06/59/77/223065977.db2.gz WHZCFDXGWMLDPX-UHFFFAOYSA-N 0 3 366.465 2.148 40 0 FEABHN Cc1nc2c(n1C(C)C)CN(Cc1cnn(C)c1)CC21CCN(C)CC1 ZINC000306144951 223115350 /nfs/dbraw/zinc/11/53/50/223115350.db2.gz ZTAVCXYIBVCVIA-UHFFFAOYSA-N 0 3 356.518 2.485 40 0 FEABHN Cn1cc(C(=O)N2CCN(C3CCCC3)C[C@H](Cc3ccccn3)C2)cn1 ZINC000072355207 541801279 /nfs/dbraw/zinc/80/12/79/541801279.db2.gz ZYMGXVXQDYXFBC-KRWDZBQOSA-N 0 3 367.497 2.374 40 0 FEABHN CNCC(=O)N1CCC[C@H](CCc2ccnc(Nc3cnccn3)c2)C1 ZINC000072383024 541803965 /nfs/dbraw/zinc/80/39/65/541803965.db2.gz FHFZEPOXCBMMRR-MRXNPFEDSA-N 0 3 354.458 2.006 40 0 FEABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(F)c4)C[C@H]32)c(OC)n1 ZINC000072392577 541804228 /nfs/dbraw/zinc/80/42/28/541804228.db2.gz VCGWFYIIESSHTH-JNAXZKDPSA-N 0 3 373.428 2.363 40 0 FEABHN O=C(CCc1ccccc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019370733 220254030 /nfs/dbraw/zinc/25/40/30/220254030.db2.gz HJDXECDWXAGICQ-KRWDZBQOSA-N 0 3 350.466 2.461 40 0 FEABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCC3)[n-]c2=O)C1 ZINC000019448331 220257394 /nfs/dbraw/zinc/25/73/94/220257394.db2.gz VYFGTIMVUNXKLZ-QGZVFWFLSA-N 0 3 358.486 2.390 40 0 FEABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCC3)[n-]c2=O)C1 ZINC000019448331 220257398 /nfs/dbraw/zinc/25/73/98/220257398.db2.gz VYFGTIMVUNXKLZ-QGZVFWFLSA-N 0 3 358.486 2.390 40 0 FEABHN CC(C)Cc1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)[nH]n1 ZINC000019447421 220257624 /nfs/dbraw/zinc/25/76/24/220257624.db2.gz HOZXYXSIEDWXNF-INIZCTEOSA-N 0 3 354.458 2.021 40 0 FEABHN CCCc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 ZINC000019525775 220265242 /nfs/dbraw/zinc/26/52/42/220265242.db2.gz UINHDFBJRXEJBJ-PCCBWWKXSA-N 0 3 366.509 2.291 40 0 FEABHN COc1ccc(OC)c(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019551647 220272128 /nfs/dbraw/zinc/27/21/28/220272128.db2.gz QDIXTQZYMBHEQW-GOSISDBHSA-N 0 3 354.454 2.477 40 0 FEABHN CN(C)C[C@@H]1CCCCN1C(=O)CCCc1nc(-c2ccccn2)no1 ZINC000019581928 220275623 /nfs/dbraw/zinc/27/56/23/220275623.db2.gz RIRKNADCQLVIHL-HNNXBMFYSA-N 0 3 357.458 2.397 40 0 FEABHN O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019710648 220287237 /nfs/dbraw/zinc/28/72/37/220287237.db2.gz MSPKHUDBHIYACY-MRXNPFEDSA-N 0 3 368.416 2.022 40 0 FEABHN CC(=O)N1CCc2nnc(C3CCN(Cc4cccc(C)c4)CC3)n2CC1 ZINC000019709441 220288252 /nfs/dbraw/zinc/28/82/52/220288252.db2.gz INIQWCFJUXJDMY-UHFFFAOYSA-N 0 3 367.497 2.371 40 0 FEABHN Cc1nn(C)cc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532048 543292441 /nfs/dbraw/zinc/29/24/41/543292441.db2.gz RUZRTZXNRVMUPY-DOTOQJQBSA-N 0 3 352.429 2.198 40 0 FEABHN COCCN1CC2(CCC1=O)CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000108533700 543292982 /nfs/dbraw/zinc/29/29/82/543292982.db2.gz AXIGWOUOVRUSBN-UHFFFAOYSA-N 0 3 358.482 2.473 40 0 FEABHN O=c1cc(CN2CCCC2)nc2n1CCCN(Cc1ccc(F)cc1)C2 ZINC000096059578 222007114 /nfs/dbraw/zinc/00/71/14/222007114.db2.gz YPLSNLDHTJSEHG-UHFFFAOYSA-N 0 3 356.445 2.384 40 0 FEABHN CC(=O)N1CCC2(C[C@H](CC(=O)NCCN(C)C)c3ccccc32)CC1 ZINC000096079501 222015485 /nfs/dbraw/zinc/01/54/85/222015485.db2.gz CJZIINFURYSPKD-KRWDZBQOSA-N 0 3 357.498 2.122 40 0 FEABHN CN(C)CCNC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 ZINC000096264178 222104521 /nfs/dbraw/zinc/10/45/21/222104521.db2.gz ROFZROXRPIBJBE-UHFFFAOYSA-N 0 3 362.437 2.204 40 0 FEABHN c1nc2n(c1-c1cccnc1)CCNC21CCN(Cc2cccnc2)CC1 ZINC000096263369 222104594 /nfs/dbraw/zinc/10/45/94/222104594.db2.gz OGURNLJWRPDZMQ-UHFFFAOYSA-N 0 3 360.465 2.435 40 0 FEABHN Cc1cc(C)cc(CN2CCC3(CCN(CC(=O)N(C)C)C3=O)CC2)c1 ZINC000096157800 222057832 /nfs/dbraw/zinc/05/78/32/222057832.db2.gz FRMWRNCVBCOBEX-UHFFFAOYSA-N 0 3 357.498 2.206 40 0 FEABHN CN(C)c1cc(N[C@H]2CCO[C@]3(CCN(Cc4ccco4)C3)C2)ncn1 ZINC000096206926 222077290 /nfs/dbraw/zinc/07/72/90/222077290.db2.gz YDDUGWHRXXNCCE-HNAYVOBHSA-N 0 3 357.458 2.371 40 0 FEABHN O=C(N[C@@H]1COCCC12CCN(Cc1cccnc1)CC2)c1ccco1 ZINC000096214937 222080048 /nfs/dbraw/zinc/08/00/48/222080048.db2.gz BCTSLJFQGARRLU-GOSISDBHSA-N 0 3 355.438 2.476 40 0 FEABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1cnccn1 ZINC000096218335 222081827 /nfs/dbraw/zinc/08/18/27/222081827.db2.gz DHUBYUHGDNNIBQ-KBXCAEBGSA-N 0 3 358.467 2.092 40 0 FEABHN Cn1cc(CN2CCC3(C[C@H](NC(=O)c4cccs4)CO3)CC2)cn1 ZINC000096221225 222085550 /nfs/dbraw/zinc/08/55/50/222085550.db2.gz ZLBVWXUQZFTCNZ-HNNXBMFYSA-N 0 3 360.483 2.035 40 0 FEABHN COc1cccc2c1OC1(CCN(CCC(N)=O)CC1)[C@H]1CCCO[C@H]21 ZINC000257335515 533894634 /nfs/dbraw/zinc/89/46/34/533894634.db2.gz YKMLZHANOUSABO-MAUKXSAKSA-N 0 3 360.454 2.265 40 0 FEABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccccc3Cl)O2)C1 ZINC000306141078 526638858 /nfs/dbraw/zinc/63/88/58/526638858.db2.gz VKVJWUPJYNGNIB-AEFFLSMTSA-N 0 3 352.862 2.226 40 0 FEABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306135841 528470871 /nfs/dbraw/zinc/47/08/71/528470871.db2.gz PCLATLFARMEFGQ-UHFFFAOYSA-N 0 3 368.485 2.042 40 0 FEABHN CCOC[C@@H]1CCN(CC2CC2)C2(CN(C(=O)Cc3ccccn3)C2)C1 ZINC000306140577 528939599 /nfs/dbraw/zinc/93/95/99/528939599.db2.gz UXQJNAIHZJRKTK-GOSISDBHSA-N 0 3 357.498 2.364 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)C2(CN)CN)cc1 ZINC000218390458 548686918 /nfs/dbraw/zinc/68/69/18/548686918.db2.gz IEWOSWZVKGMLJN-DLBZAZTESA-N 0 3 364.898 2.492 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218590502 548688710 /nfs/dbraw/zinc/68/87/10/548688710.db2.gz GZPIUKGUOFDJAC-WWGRRREGSA-N 0 3 374.890 2.073 40 0 FEABHN NC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218662474 548688959 /nfs/dbraw/zinc/68/89/59/548688959.db2.gz IVOJQXDNJLFQSY-PMPSAXMXSA-N 0 3 354.834 2.075 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218588560 548689038 /nfs/dbraw/zinc/68/90/38/548689038.db2.gz LFLHUJWIIGKJIL-HEHGZKQESA-N 0 3 374.890 2.073 40 0 FEABHN C[C@H](CNC(=O)[C@H](C)N1c2ccccc2O[C@@H](C)C1=O)N1CCC(C)CC1 ZINC000253371427 549685028 /nfs/dbraw/zinc/68/50/28/549685028.db2.gz BFTNPJQMTMGDSF-IKGGRYGDSA-N 0 3 373.497 2.426 40 0 FEABHN Cc1nc(C(=O)N2CC3(C2)C[C@H](COCC2CC2)CN3CC2CC2)c[nH]1 ZINC000585093750 571220167 /nfs/dbraw/zinc/22/01/67/571220167.db2.gz BYPQQCCUMKYGPO-KRWDZBQOSA-N 0 3 358.486 2.071 40 0 FEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000257232800 529987812 /nfs/dbraw/zinc/98/78/12/529987812.db2.gz GMLSCSVORLXLSU-LJQANCHMSA-N 0 3 360.433 2.038 40 0 FEABHN NCC1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218389087 222680785 /nfs/dbraw/zinc/68/07/85/222680785.db2.gz QIZZQDQJMCKMSM-HOTGVXAUSA-N 0 3 350.871 2.184 40 0 FEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1OC ZINC000010111250 539512624 /nfs/dbraw/zinc/51/26/24/539512624.db2.gz CZXRRMOIJKDLNZ-UHFFFAOYSA-N 0 3 356.488 2.248 40 0 FEABHN Cc1cc2cc3c(cc2n2c(=O)n(CCN4CCCCC4)nc12)OCO3 ZINC000012181993 539547926 /nfs/dbraw/zinc/54/79/26/539547926.db2.gz RVXJYJXXGWYJHQ-UHFFFAOYSA-N 0 3 354.410 2.172 40 0 FEABHN COc1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292480 539552399 /nfs/dbraw/zinc/55/23/99/539552399.db2.gz VHEKMENPMSOJDA-SFHVURJKSA-N 0 3 371.433 2.441 40 0 FEABHN CN1CCN(CCCNC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000022829344 539701139 /nfs/dbraw/zinc/70/11/39/539701139.db2.gz IFADKUCNKSIKMA-UHFFFAOYSA-N 0 3 355.935 2.327 40 0 FEABHN O=C(CCc1cccs1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257267076 223044509 /nfs/dbraw/zinc/04/45/09/223044509.db2.gz MFWYFCKVKOSSFH-INIZCTEOSA-N 0 3 358.454 2.375 40 0 FEABHN O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(Cc1ccsc1)C2)C1CC1 ZINC000306124849 223107231 /nfs/dbraw/zinc/10/72/31/223107231.db2.gz CAUDVRRODXLDCL-QAPCUYQASA-N 0 3 357.483 2.203 40 0 FEABHN O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2ccncc2)C1 ZINC000306131422 223108371 /nfs/dbraw/zinc/10/83/71/223108371.db2.gz KDXMYERBIVJOIR-NRFANRHFSA-N 0 3 359.433 2.248 40 0 FEABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 ZINC000306131399 223108939 /nfs/dbraw/zinc/10/89/39/223108939.db2.gz KDQCSTRIYDTHMX-UHFFFAOYSA-N 0 3 369.469 2.240 40 0 FEABHN CN(C)CCNc1nc(NCc2cccs2)cc(-c2cccnc2)n1 ZINC000328966946 223127196 /nfs/dbraw/zinc/12/71/96/223127196.db2.gz CPKMJNKRZFXMOY-UHFFFAOYSA-N 0 3 354.483 2.030 40 0 FEABHN CN(C)CCNC(=O)[C@H]1C[C@H]2CC[C@]1(C)C[C@@]21Nc2ccccc2C(=O)N1 ZINC000072326961 541799781 /nfs/dbraw/zinc/79/97/81/541799781.db2.gz AZYLCOQHARWZNX-XQJRBRMLSA-N 0 3 370.497 2.042 40 0 FEABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)c2cccnc2)C1 ZINC000072354475 541801296 /nfs/dbraw/zinc/80/12/96/541801296.db2.gz CRBGHOPWXSOFRO-IBGZPJMESA-N 0 3 353.466 2.345 40 0 FEABHN CC(=O)N1CCN(Cc2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355058 541801416 /nfs/dbraw/zinc/80/14/16/541801416.db2.gz ZQQBMNSROWFKPU-IBGZPJMESA-N 0 3 367.497 2.066 40 0 FEABHN O=C([C@H]1OCCc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019375461 220254871 /nfs/dbraw/zinc/25/48/71/220254871.db2.gz HMSAMJJEWBXTRA-OALUTQOASA-N 0 3 364.449 2.100 40 0 FEABHN CCCN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019502649 220266562 /nfs/dbraw/zinc/26/65/62/220266562.db2.gz SUFNEFILDFAMIC-SFHVURJKSA-N 0 3 370.501 2.480 40 0 FEABHN CCOCc1cc(CN2CCc3nc(C)[nH]c(=O)c3CC2)ccc1OC ZINC000019531182 220269464 /nfs/dbraw/zinc/26/94/64/220269464.db2.gz AANUFRDXTAHWOP-UHFFFAOYSA-N 0 3 357.454 2.224 40 0 FEABHN COc1cc(CN2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)ccc1O ZINC000019550077 220270949 /nfs/dbraw/zinc/27/09/49/220270949.db2.gz WMKGVOXAEFZVEK-HNNXBMFYSA-N 0 3 366.425 2.114 40 0 FEABHN COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 ZINC000019554119 220271974 /nfs/dbraw/zinc/27/19/74/220271974.db2.gz NGFFDHZJWZSFHT-UHFFFAOYSA-N 0 3 366.465 2.080 40 0 FEABHN COc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019568707 220274008 /nfs/dbraw/zinc/27/40/08/220274008.db2.gz BBDJBDSPJQQPEO-AWEZNQCLSA-N 0 3 352.438 2.151 40 0 FEABHN COc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1OC ZINC000019568049 220274254 /nfs/dbraw/zinc/27/42/54/220274254.db2.gz PNGSYQXCBZICLR-KRWDZBQOSA-N 0 3 354.454 2.477 40 0 FEABHN COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590453 220277456 /nfs/dbraw/zinc/27/74/56/220277456.db2.gz TZWLYBQABWRMCV-INIZCTEOSA-N 0 3 366.465 2.493 40 0 FEABHN Cc1cc2[nH]c(C(=O)NCCCN3CCC(C(N)=O)CC3)cc2c(C)c1 ZINC000019714643 220288121 /nfs/dbraw/zinc/28/81/21/220288121.db2.gz PCDHDRDRGLBTNO-UHFFFAOYSA-N 0 3 356.470 2.102 40 0 FEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)CC2CCCCC2)CC3)C1 ZINC000019709548 220289249 /nfs/dbraw/zinc/28/92/49/220289249.db2.gz GTLLAZKYEQCRJO-KRWDZBQOSA-N 0 3 359.518 2.442 40 0 FEABHN Cc1cccc(CN2CC[C@@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1 ZINC000096048789 542989350 /nfs/dbraw/zinc/98/93/50/542989350.db2.gz OJXCPVWLXPCLGI-HXUWFJFHSA-N 0 3 353.470 2.138 40 0 FEABHN CN(C)C(=O)COC[C@@H]1CC2(CO1)CCN(Cc1ccsc1)CC2 ZINC000096105946 222025167 /nfs/dbraw/zinc/02/51/67/222025167.db2.gz CYBPIWSWNBVWCR-INIZCTEOSA-N 0 3 352.500 2.224 40 0 FEABHN COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC000096108124 222026315 /nfs/dbraw/zinc/02/63/15/222026315.db2.gz RTWLLPCHTOJXKY-PZJWPPBQSA-N 0 3 353.466 2.423 40 0 FEABHN COc1ccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC2CC2)cc1 ZINC000096230281 222091220 /nfs/dbraw/zinc/09/12/20/222091220.db2.gz XRQSOOOSFONBME-UHFFFAOYSA-N 0 3 357.498 2.214 40 0 FEABHN CCOC(=O)C1=C([O-])NC(N2CCC(C)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000008559813 263355868 /nfs/dbraw/zinc/35/58/68/263355868.db2.gz CGAHEZWJOBJDIX-HZPDHXFCSA-N 0 3 361.417 2.264 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccn3)C[C@H]1C2 ZINC000306124907 534383656 /nfs/dbraw/zinc/38/36/56/534383656.db2.gz CBYLNNKMCSGWQL-HZPDHXFCSA-N 0 3 374.448 2.230 40 0 FEABHN COc1cccc(C(=O)N2CC[C@@H](C(=O)NCCN3CCC(C)CC3)C2)c1 ZINC000019745660 525806161 /nfs/dbraw/zinc/80/61/61/525806161.db2.gz UJJNPSHKYWLNKK-GOSISDBHSA-N 0 3 373.497 2.005 40 0 FEABHN CC(=O)N1CCC[C@H]1c1cncc(CN2CCN(C3CCCC3)CC2)n1 ZINC000257212368 526597321 /nfs/dbraw/zinc/59/73/21/526597321.db2.gz CDBOLQWIAANKCV-FQEVSTJZSA-N 0 3 357.502 2.220 40 0 FEABHN CC(=O)NCc1cnc([C@@H]2CN(Cc3cccc4[nH]ccc43)CCO2)[nH]1 ZINC000257309879 526816000 /nfs/dbraw/zinc/81/60/00/526816000.db2.gz UCTKYPMNJKCJSM-SFHVURJKSA-N 0 3 353.426 2.101 40 0 FEABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306134048 528470457 /nfs/dbraw/zinc/47/04/57/528470457.db2.gz NCNXNACJSFWKSR-UHFFFAOYSA-N 0 3 368.485 2.042 40 0 FEABHN NC[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218428733 548686692 /nfs/dbraw/zinc/68/66/92/548686692.db2.gz XIHCLCRTZLATCX-ULQDDVLXSA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN4CCOCC4)O3)C2)s1 ZINC000248128713 549409721 /nfs/dbraw/zinc/40/97/21/549409721.db2.gz XTNFVQYXNLFNER-PKOBYXMFSA-N 0 3 366.527 2.139 40 0 FEABHN NC[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516195 549671870 /nfs/dbraw/zinc/67/18/70/549671870.db2.gz QMKUWWLTFYZCKQ-BBWFWOEESA-N 0 3 369.845 2.356 40 0 FEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000585284703 570494047 /nfs/dbraw/zinc/49/40/47/570494047.db2.gz ZBPUQBXUBCOPAQ-GOSISDBHSA-N 0 3 373.852 2.226 40 0 FEABHN CN(C)C/C=C/C(=O)N1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000585289970 570495531 /nfs/dbraw/zinc/49/55/31/570495531.db2.gz OYUJEUOZQGVEHI-SCNWZZHGSA-N 0 3 358.482 2.471 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103578 571222504 /nfs/dbraw/zinc/22/25/04/571222504.db2.gz HNEUMEMGYIVLCC-MOPGFXCFSA-N 0 3 358.482 2.073 40 0 FEABHN CNC(=O)[C@H]1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 ZINC000257254021 529926320 /nfs/dbraw/zinc/92/63/20/529926320.db2.gz KBGLZRLHBSTUKK-KRWDZBQOSA-N 0 3 366.465 2.018 40 0 FEABHN CNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306133244 529954894 /nfs/dbraw/zinc/95/48/94/529954894.db2.gz MGMDLMODXNFSRF-UHFFFAOYSA-N 0 3 357.433 2.005 40 0 FEABHN Cc1nc(C2CCN(CCOc3ccc(F)cc3)CC2)ncc1C(N)=O ZINC000019766610 539668984 /nfs/dbraw/zinc/66/89/84/539668984.db2.gz ZXNWAHCDLLVIGG-UHFFFAOYSA-N 0 3 358.417 2.281 40 0 FEABHN CN1CCN(CCCNC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000022934992 539703883 /nfs/dbraw/zinc/70/38/83/539703883.db2.gz UQSBJZJUUCYGIS-UHFFFAOYSA-N 0 3 355.935 2.327 40 0 FEABHN Cc1cc(Nc2cc(C[C@@H]3CCCN(C(=O)C(C)(C)N)C3)nc(C)n2)n[nH]1 ZINC000257307708 223060518 /nfs/dbraw/zinc/06/05/18/223060518.db2.gz SZXKVNACSBWPCZ-AWEZNQCLSA-N 0 3 371.489 2.079 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306138109 223111170 /nfs/dbraw/zinc/11/11/70/223111170.db2.gz RPMBZDNEXBKSIX-KGLIPLIRSA-N 0 3 371.872 2.128 40 0 FEABHN Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cnc3ccccc3n1)C2 ZINC000019291428 220246494 /nfs/dbraw/zinc/24/64/94/220246494.db2.gz RAEJCDMNWGVABG-GWTOYCKXSA-N 0 3 363.465 2.483 40 0 FEABHN CCn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c(C)n1 ZINC000019524606 220265797 /nfs/dbraw/zinc/26/57/97/220265797.db2.gz KTINGGLDULRMDS-QHAWAJNXSA-N 0 3 354.498 2.074 40 0 FEABHN COc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019554304 220271335 /nfs/dbraw/zinc/27/13/35/220271335.db2.gz WHVSTVRTIFOSDH-GOSISDBHSA-N 0 3 352.438 2.037 40 0 FEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019590217 220279128 /nfs/dbraw/zinc/27/91/28/220279128.db2.gz XKWJJBLKOGPMKN-LSDHHAIUSA-N 0 3 356.470 2.232 40 0 FEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019590217 220279131 /nfs/dbraw/zinc/27/91/31/220279131.db2.gz XKWJJBLKOGPMKN-LSDHHAIUSA-N 0 3 356.470 2.232 40 0 FEABHN CC(=O)N1CCc2nnc(C3CCN(Cc4ccccc4)CC3)n2CC1 ZINC000019708957 220288544 /nfs/dbraw/zinc/28/85/44/220288544.db2.gz YEQBYPNRPQERGM-UHFFFAOYSA-N 0 3 353.470 2.062 40 0 FEABHN CN1CCN(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000054534471 221054403 /nfs/dbraw/zinc/05/44/03/221054403.db2.gz ZIQTYAGETVPOHN-UHFFFAOYSA-N 0 3 353.894 2.251 40 0 FEABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1cccnc1)CC2 ZINC000096051810 222003857 /nfs/dbraw/zinc/00/38/57/222003857.db2.gz UJRDFGRZMSJMMJ-SFHVURJKSA-N 0 3 353.470 2.379 40 0 FEABHN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096076320 222014055 /nfs/dbraw/zinc/01/40/55/222014055.db2.gz FGMZZPNUGDABGZ-HXUWFJFHSA-N 0 3 358.486 2.252 40 0 FEABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC000096245435 222098980 /nfs/dbraw/zinc/09/89/80/222098980.db2.gz PFPYAXNDXHVZTL-GASCZTMLSA-N 0 3 350.846 2.183 40 0 FEABHN CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 ZINC000096263963 222105180 /nfs/dbraw/zinc/10/51/80/222105180.db2.gz LCVDXXIINJZHJN-HOTGVXAUSA-N 0 3 350.484 2.333 40 0 FEABHN Cc1noc(C)c1CN1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096157652 222058312 /nfs/dbraw/zinc/05/83/12/222058312.db2.gz YSVIGWXOWNVTAO-UHFFFAOYSA-N 0 3 355.442 2.210 40 0 FEABHN CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 ZINC000096182910 222069898 /nfs/dbraw/zinc/06/98/98/222069898.db2.gz YFTHWVXJYNSMLV-ZIFCJYIRSA-N 0 3 351.454 2.244 40 0 FEABHN COCCN1CC2(CCN(Cc3ccsc3)CC2)[C@H](COC)C1=O ZINC000096208249 222078948 /nfs/dbraw/zinc/07/89/48/222078948.db2.gz JBCGCMWFEGSTGQ-MRXNPFEDSA-N 0 3 352.500 2.082 40 0 FEABHN O=C(N[C@@H]1COC2(C1)CCN(Cc1ccccn1)CC2)c1ccccn1 ZINC000096221080 222085266 /nfs/dbraw/zinc/08/52/66/222085266.db2.gz PIPZGOWKNWNVEQ-KRWDZBQOSA-N 0 3 352.438 2.030 40 0 FEABHN Cc1nc(C[C@@H]2CCCN(Cc3ccccn3)C2)cc(C(=O)N(C)C)n1 ZINC000257288807 534410481 /nfs/dbraw/zinc/41/04/81/534410481.db2.gz PVUNPWVUODYBQJ-INIZCTEOSA-N 0 3 353.470 2.337 40 0 FEABHN C[C@H](N)C(=O)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413117 524818464 /nfs/dbraw/zinc/81/84/64/524818464.db2.gz PKRUQJGLCFNGSD-DOTOQJQBSA-N 0 3 359.470 2.373 40 0 FEABHN CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306137233 528275337 /nfs/dbraw/zinc/27/53/37/528275337.db2.gz QPZDGHJNSIPKAQ-UHFFFAOYSA-N 0 3 359.499 2.318 40 0 FEABHN CCOc1ccc([C@H]2[C@H](C(=O)NCCN(C)C)CCC(=O)N2CC)cc1 ZINC000257250122 528609267 /nfs/dbraw/zinc/60/92/67/528609267.db2.gz JLCRMVBUJURKGO-MJGOQNOKSA-N 0 3 361.486 2.063 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1ccccc1OC ZINC000257290474 528947025 /nfs/dbraw/zinc/94/70/25/528947025.db2.gz QDCGQXWANQUXIK-APWZRJJASA-N 0 3 361.486 2.015 40 0 FEABHN Cc1ccccc1OCC(=O)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000248024272 549400487 /nfs/dbraw/zinc/40/04/87/549400487.db2.gz NJOKWTXGBYEKET-SFHVURJKSA-N 0 3 354.454 2.250 40 0 FEABHN Cc1cc(N2CC[C@](O)(CN(C)Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257322533 549728033 /nfs/dbraw/zinc/72/80/33/549728033.db2.gz WGJKBTNNXSWDCG-FQEVSTJZSA-N 0 3 374.460 2.207 40 0 FEABHN Cc1ccc(OC[C@@]2(O)CCN(Cc3cccc(OCCO)c3)C2)cc1 ZINC000585273466 570486391 /nfs/dbraw/zinc/48/63/91/570486391.db2.gz VRZWTPQCFIXVAF-OAQYLSRUSA-N 0 3 357.450 2.382 40 0 FEABHN Cc1cccc(OC[C@@]2(O)CCN(Cc3cccc(OCCO)c3)C2)c1 ZINC000585272682 570486883 /nfs/dbraw/zinc/48/68/83/570486883.db2.gz POCUWITZWPOXIB-OAQYLSRUSA-N 0 3 357.450 2.382 40 0 FEABHN OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCCCCC1 ZINC000585286006 570494572 /nfs/dbraw/zinc/49/45/72/570494572.db2.gz GNCXHJBDVAIHQF-HXUWFJFHSA-N 0 3 367.461 2.353 40 0 FEABHN CN(C)C/C=C/C(=O)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000585288907 570495117 /nfs/dbraw/zinc/49/51/17/570495117.db2.gz BPQOUQFINXMESX-LNTYHFEGSA-N 0 3 358.482 2.471 40 0 FEABHN Cn1cccc1/C=C(/NC(=O)c1cccs1)C(=O)NCCN1CCCC1 ZINC000004983469 539398723 /nfs/dbraw/zinc/39/87/23/539398723.db2.gz UFOLGHLTNBFCAW-JQIJEIRASA-N 0 3 372.494 2.070 40 0 FEABHN CN(c1ccccc1)[C@H]1COC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC000257255959 530035867 /nfs/dbraw/zinc/03/58/67/530035867.db2.gz KJOHGBJPMDKVAV-LJQANCHMSA-N 0 3 357.498 2.369 40 0 FEABHN Cc1ccc(=O)n(CC2(O)CCN(Cc3ccc4ccccc4n3)CC2)n1 ZINC000012223118 539550122 /nfs/dbraw/zinc/55/01/22/539550122.db2.gz FLYPUJWDRKJEDC-UHFFFAOYSA-N 0 3 364.449 2.127 40 0 FEABHN COc1ccc(OC)c([C@@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000038541252 539999809 /nfs/dbraw/zinc/99/98/09/539999809.db2.gz OQIIVSXXNYALGJ-XJKSGUPXSA-N 0 3 365.474 2.303 40 0 FEABHN CCn1cc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)c(C)n1 ZINC000257206369 223019062 /nfs/dbraw/zinc/01/90/62/223019062.db2.gz BDBGVDHWNRAYQH-GOSISDBHSA-N 0 3 357.458 2.195 40 0 FEABHN CN(C)CCNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)n1 ZINC000329064668 223131837 /nfs/dbraw/zinc/13/18/37/223131837.db2.gz XLFLCIGMEUFCGM-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN CN(C)CCNc1nc(Nc2ccccc2F)cc(-c2cccnc2)n1 ZINC000329041927 223130543 /nfs/dbraw/zinc/13/05/43/223130543.db2.gz SLBOKYWVVSDGGS-UHFFFAOYSA-N 0 3 352.417 2.239 40 0 FEABHN CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019445989 220257707 /nfs/dbraw/zinc/25/77/07/220257707.db2.gz SGHTVXWIEUDLII-MSOLQXFVSA-N 0 3 362.522 2.109 40 0 FEABHN CCCN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019502647 220264410 /nfs/dbraw/zinc/26/44/10/220264410.db2.gz SUFNEFILDFAMIC-GOSISDBHSA-N 0 3 370.501 2.480 40 0 FEABHN CN(C)C[C@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000019581941 220275438 /nfs/dbraw/zinc/27/54/38/220275438.db2.gz OEIBYKTXNDDOBI-GFCCVEGCSA-N 0 3 358.408 2.333 40 0 FEABHN Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019578331 220275495 /nfs/dbraw/zinc/27/54/95/220275495.db2.gz HCGIOKQEAKPDEJ-RYGJVYDSSA-N 0 3 354.498 2.188 40 0 FEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)c3ccccn3)C2)c2cccnc21 ZINC000019583271 220276349 /nfs/dbraw/zinc/27/63/49/220276349.db2.gz VNXFTKFDEPBMJP-HNNXBMFYSA-N 0 3 364.453 2.018 40 0 FEABHN CN1CCc2nc(C3CCN(C(=O)COc4ccccc4)CC3)ncc2C1 ZINC000019590679 220279164 /nfs/dbraw/zinc/27/91/64/220279164.db2.gz PHZDSRQLIYELAH-UHFFFAOYSA-N 0 3 366.465 2.250 40 0 FEABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2cccc(C)c2)CC3)C1 ZINC000019709458 220289107 /nfs/dbraw/zinc/28/91/07/220289107.db2.gz ZMZNEUMJBABRBX-IBGZPJMESA-N 0 3 367.497 2.371 40 0 FEABHN NCc1cnn(-c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000257335889 132297437 /nfs/dbraw/zinc/29/74/37/132297437.db2.gz YMHRWGKSLOFJOY-UHFFFAOYSA-N 0 3 361.449 2.293 40 0 FEABHN Cn1cc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)cn1 ZINC000096040179 542988661 /nfs/dbraw/zinc/98/86/61/542988661.db2.gz DYNHYPXGSFAQGI-VQTJNVASSA-N 0 3 356.470 2.403 40 0 FEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2)COC1 ZINC000096112750 222029613 /nfs/dbraw/zinc/02/96/13/222029613.db2.gz PCNBCXUZSGUXLV-HNNXBMFYSA-N 0 3 352.394 2.079 40 0 biogenic,in-vitro FEABHN COc1ccc(CN2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000096048780 222000226 /nfs/dbraw/zinc/00/02/26/222000226.db2.gz GMESTKUPVUKHSY-FQEVSTJZSA-N 0 3 354.454 2.448 40 0 FEABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccc(C)s1)C2 ZINC000096060865 222007550 /nfs/dbraw/zinc/00/75/50/222007550.db2.gz WGMPMRAYCFCQNH-HNNXBMFYSA-N 0 3 363.531 2.346 40 0 FEABHN Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)CC1 ZINC000096218027 222081543 /nfs/dbraw/zinc/08/15/43/222081543.db2.gz DBGLTRJBEJQSDK-HXUWFJFHSA-N 0 3 353.470 2.362 40 0 FEABHN CCN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079393304 521232162 /nfs/dbraw/zinc/23/21/62/521232162.db2.gz CGCULLCINDBKGO-ROUUACIJSA-N 0 3 361.486 2.477 40 0 FEABHN CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079393306 521271762 /nfs/dbraw/zinc/27/17/62/521271762.db2.gz CGCULLCINDBKGO-MSOLQXFVSA-N 0 3 361.486 2.477 40 0 FEABHN Cc1cccc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)n1 ZINC000257235898 534597120 /nfs/dbraw/zinc/59/71/20/534597120.db2.gz GZZYUJHERKJNTI-OAQYLSRUSA-N 0 3 351.450 2.025 40 0 FEABHN COc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1 ZINC000020098333 524265828 /nfs/dbraw/zinc/26/58/28/524265828.db2.gz YZQBURZFBBFMNN-UHFFFAOYSA-N 0 3 370.501 2.180 40 0 FEABHN C[C@H](Oc1cccc2ccccc21)C(=O)NCCCN1CCN(C)CC1 ZINC000078578804 525951498 /nfs/dbraw/zinc/95/14/98/525951498.db2.gz UIFNMVDBGOIATD-KRWDZBQOSA-N 0 3 355.482 2.361 40 0 FEABHN OC[C@H]1CC[C@@H](NC2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 ZINC000252505703 527618059 /nfs/dbraw/zinc/61/80/59/527618059.db2.gz MBIGCGKIWPYRLM-CALCHBBNSA-N 0 3 363.502 2.113 40 0 biogenic,in-vitro FEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cc2ccsc2)C1 ZINC000257288946 528861050 /nfs/dbraw/zinc/86/10/50/528861050.db2.gz PWJQECNXVSFOAX-IBGZPJMESA-N 0 3 359.495 2.171 40 0 FEABHN CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1OC ZINC000257340261 528951580 /nfs/dbraw/zinc/95/15/80/528951580.db2.gz ZFGBNTMFJRODPJ-XLIONFOSSA-N 0 3 373.497 2.157 40 0 FEABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000223175844 548717022 /nfs/dbraw/zinc/71/70/22/548717022.db2.gz GLLVSKSJQNKTDY-INIZCTEOSA-N 0 3 368.499 2.406 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000247952050 549394571 /nfs/dbraw/zinc/39/45/71/549394571.db2.gz CFHWUVVSACMQLE-WSTZPKSXSA-N 0 3 350.503 2.319 40 0 FEABHN CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccncc3)C2)OC1 ZINC000248046425 549402644 /nfs/dbraw/zinc/40/26/44/549402644.db2.gz MKASUFLRYWEYPB-MRXNPFEDSA-N 0 3 355.438 2.428 40 0 FEABHN Cc1ncoc1C(=O)N1CC2(C1)CC[C@H](CN(C)Cc1cccnc1)CO2 ZINC000248099938 549406975 /nfs/dbraw/zinc/40/69/75/549406975.db2.gz HJGOUNYDHRENSL-QGZVFWFLSA-N 0 3 370.453 2.131 40 0 FEABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 ZINC000248118125 549407311 /nfs/dbraw/zinc/40/73/11/549407311.db2.gz MFGREFXBVQGPRC-PXNSSMCTSA-N 0 3 357.454 2.120 40 0 FEABHN CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282117 570492660 /nfs/dbraw/zinc/49/26/60/570492660.db2.gz XXKYIQLIENCBMF-HXUWFJFHSA-N 0 3 364.461 2.351 40 0 FEABHN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 ZINC000004895841 539394868 /nfs/dbraw/zinc/39/48/68/539394868.db2.gz XCYWVLORRUNPAS-CYBMUJFWSA-N 0 3 353.488 2.234 40 0 FEABHN CCN(CCN(C)C)C(=O)Cc1sc(N)nc1-c1ccc(OC)cc1 ZINC000012222122 539550237 /nfs/dbraw/zinc/55/02/37/539550237.db2.gz PTPIKWLLSVSUSC-UHFFFAOYSA-N 0 3 362.499 2.354 40 0 FEABHN COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccccc1C)CC2 ZINC000248170295 222965875 /nfs/dbraw/zinc/96/58/75/222965875.db2.gz VPLDWVXRJTUXGY-SFHVURJKSA-N 0 3 366.527 2.115 40 0 FEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000257259276 223040954 /nfs/dbraw/zinc/04/09/54/223040954.db2.gz KXPMZGZIHBSMSJ-QGZVFWFLSA-N 0 3 366.465 2.148 40 0 FEABHN O=C(CCc1cccs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257267077 223044259 /nfs/dbraw/zinc/04/42/59/223044259.db2.gz MFWYFCKVKOSSFH-MRXNPFEDSA-N 0 3 358.454 2.375 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2F)cc(-c2ccccn2)n1 ZINC000329057786 223131033 /nfs/dbraw/zinc/13/10/33/223131033.db2.gz VZBPRSDOWNJMKE-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(C(F)(F)F)n1 ZINC000329000676 223128144 /nfs/dbraw/zinc/12/81/44/223128144.db2.gz KBGUJNIWPJKFPG-UHFFFAOYSA-N 0 3 361.318 2.335 40 0 FEABHN CN(C)CCNc1nc(Nc2ccccc2F)cc(-c2ccccn2)n1 ZINC000329058497 223130620 /nfs/dbraw/zinc/13/06/20/223130620.db2.gz WDFVKPSJXNDSLA-UHFFFAOYSA-N 0 3 352.417 2.239 40 0 FEABHN CC1CCC(NC(=O)[C@@H]2CN(C)C[C@]23CCc2ccccc2C(=O)N3)CC1 ZINC000072334474 541800661 /nfs/dbraw/zinc/80/06/61/541800661.db2.gz GOABQAAETCFNRL-JVCWNBPMSA-N 0 3 369.509 2.358 40 0 FEABHN CNCC(=O)N1CCC(c2nccnc2Oc2ccc(OC)cc2)CC1 ZINC000072363294 541802383 /nfs/dbraw/zinc/80/23/83/541802383.db2.gz HHMYKCCHODJBJR-UHFFFAOYSA-N 0 3 356.426 2.203 40 0 FEABHN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2CCC(N)=O ZINC000019017542 220234087 /nfs/dbraw/zinc/23/40/87/220234087.db2.gz MKOGLQYALOKONP-NSHGMRRFSA-N 0 3 361.461 2.260 40 0 FEABHN COc1ccc(N2C[C@@H](C(=O)NC(C)(C)CN3CCCCC3)CC2=O)cc1 ZINC000019084912 220236002 /nfs/dbraw/zinc/23/60/02/220236002.db2.gz AEZGKIBBESIGBX-INIZCTEOSA-N 0 3 373.497 2.429 40 0 FEABHN COCCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000019286361 220245274 /nfs/dbraw/zinc/24/52/74/220245274.db2.gz XDKZWSBMFJVAFE-SJORKVTESA-N 0 3 369.465 2.235 40 0 FEABHN COCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000019286361 220245278 /nfs/dbraw/zinc/24/52/78/220245278.db2.gz XDKZWSBMFJVAFE-SJORKVTESA-N 0 3 369.465 2.235 40 0 FEABHN Cc1nccn1C[C@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019287717 220246211 /nfs/dbraw/zinc/24/62/11/220246211.db2.gz KGEIYZVEPHYQIF-KSSFIOAISA-N 0 3 368.485 2.017 40 0 FEABHN COc1cccc(CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019564435 220274348 /nfs/dbraw/zinc/27/43/48/220274348.db2.gz PRBYFCKMKWGGHK-GOSISDBHSA-N 0 3 352.438 2.037 40 0 FEABHN Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN(C)C2)C1 ZINC000019710994 220287547 /nfs/dbraw/zinc/28/75/47/220287547.db2.gz JEZUEDSCZKXCTR-CQSZACIVSA-N 0 3 372.473 2.163 40 0 FEABHN CNc1nc([C@@H]2CCCN2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711539 220287954 /nfs/dbraw/zinc/28/79/54/220287954.db2.gz AHVGTDCLFVQOSC-KRWDZBQOSA-N 0 3 369.444 2.209 40 0 FEABHN CNc1nccnc1C[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000257294634 533088989 /nfs/dbraw/zinc/08/89/89/533088989.db2.gz QUZUDEHZUUAIGJ-QGZVFWFLSA-N 0 3 356.470 2.344 40 0 FEABHN c1coc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306140132 132301918 /nfs/dbraw/zinc/30/19/18/132301918.db2.gz ULIJUOWRGWNNLH-HNNXBMFYSA-N 0 3 353.426 2.148 40 0 FEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)n1 ZINC000096108469 222026717 /nfs/dbraw/zinc/02/67/17/222026717.db2.gz BJWQXPQMPDIXIC-APWZRJJASA-N 0 3 357.479 2.330 40 0 FEABHN Cc1ccc(CN2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)s1 ZINC000096056667 222004633 /nfs/dbraw/zinc/00/46/33/222004633.db2.gz IHSPACYYRROGGH-RKVPGOIHSA-N 0 3 359.495 2.414 40 0 FEABHN O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096055582 222005574 /nfs/dbraw/zinc/00/55/74/222005574.db2.gz OHXXXBHHUBHGLG-ZACQAIPSSA-N 0 3 350.484 2.023 40 0 FEABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261631 222105148 /nfs/dbraw/zinc/10/51/48/222105148.db2.gz DXPFPNHZQWKAHF-FUHIMQAGSA-N 0 3 355.486 2.061 40 0 FEABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1nccn1C)CC2 ZINC000096158706 222058095 /nfs/dbraw/zinc/05/80/95/222058095.db2.gz SGCRFYJPTNYIGJ-GOSISDBHSA-N 0 3 355.486 2.071 40 0 FEABHN COc1ccc(CC(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cc1 ZINC000096161598 222062198 /nfs/dbraw/zinc/06/21/98/222062198.db2.gz FLLIKADOIGYBJN-HDICACEKSA-N 0 3 351.450 2.223 40 0 FEABHN COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2)O1 ZINC000096208080 222078598 /nfs/dbraw/zinc/07/85/98/222078598.db2.gz DFEBKYAXMRGCRX-IEBWSBKVSA-N 0 3 350.434 2.102 40 0 FEABHN O=C([C@@H]1CCOC1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216467 222082785 /nfs/dbraw/zinc/08/27/85/222082785.db2.gz XYGRHSGZEDFHEY-NQIIRXRSSA-N 0 3 358.482 2.416 40 0 FEABHN NC(=O)N1Cc2sc(-c3cccnc3)nc2[C@]2(CCN(CC3CC3)C2)C1 ZINC000306129933 534381077 /nfs/dbraw/zinc/38/10/77/534381077.db2.gz IRDFIOXSWGZNFM-IBGZPJMESA-N 0 3 369.494 2.453 40 0 FEABHN c1ncc(CN2CCC(Cc3cnc(Nc4cnccn4)cn3)CC2)[nH]1 ZINC000257291402 534527285 /nfs/dbraw/zinc/52/72/85/534527285.db2.gz QGUFTLAVASASCX-UHFFFAOYSA-N 0 3 350.430 2.188 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)N2CCCNCC2)[C@@H]1c1ccccc1Cl ZINC000257274175 528948004 /nfs/dbraw/zinc/94/80/04/528948004.db2.gz NJWHXIIJWKUOBZ-QAPCUYQASA-N 0 3 363.889 2.462 40 0 FEABHN CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1 ZINC000175929691 546373820 /nfs/dbraw/zinc/37/38/20/546373820.db2.gz SKJLQOJDSCPJSN-INIZCTEOSA-N 0 3 353.894 2.251 40 0 FEABHN NC[C@@]1(CO)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058229 548685129 /nfs/dbraw/zinc/68/51/29/548685129.db2.gz MOCLUVQWQPIJMY-YESZJQIVSA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218577965 548687570 /nfs/dbraw/zinc/68/75/70/548687570.db2.gz MXIPGHGGBRUCGT-IKGGRYGDSA-N 0 3 350.871 2.244 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218578049 548687972 /nfs/dbraw/zinc/68/79/72/548687972.db2.gz MXIPGHGGBRUCGT-BBWFWOEESA-N 0 3 350.871 2.244 40 0 FEABHN CC(=O)N1CCN(C2CCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585283612 570493060 /nfs/dbraw/zinc/49/30/60/570493060.db2.gz SMJSHPICNIBQKI-LJQANCHMSA-N 0 3 350.434 2.042 40 0 FEABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585284375 570494129 /nfs/dbraw/zinc/49/41/29/570494129.db2.gz XOOPQPOVUPPXEY-ICSRJNTNSA-N 0 3 367.461 2.088 40 0 FEABHN O=C1C[C@@]2(CN1Cc1cncs1)COCCN(Cc1ccccc1)C2 ZINC000585103607 571222765 /nfs/dbraw/zinc/22/27/65/571222765.db2.gz DZCNLGHXCBYCQJ-LJQANCHMSA-N 0 3 357.479 2.394 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)cc1 ZINC000585104512 571223895 /nfs/dbraw/zinc/22/38/95/571223895.db2.gz PMSGQFWSYCOZRY-HXUWFJFHSA-N 0 3 372.509 2.463 40 0 FEABHN Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CCN3CCCC3)C2)cc1 ZINC000585112403 571226107 /nfs/dbraw/zinc/22/61/07/571226107.db2.gz PAVLHKQRZORSGF-SFHVURJKSA-N 0 3 374.510 2.423 40 0 FEABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1ncnc3ccccc31)C2 ZINC000257207758 529832121 /nfs/dbraw/zinc/83/21/21/529832121.db2.gz BJCIYIFBEOKBQO-HEFCWWFNSA-N 0 3 366.465 2.482 40 0 FEABHN Cc1ccc(C2(O)CCN(CCNC(=O)CN3CCCCCC3)CC2)cc1 ZINC000012291106 539551969 /nfs/dbraw/zinc/55/19/69/539551969.db2.gz MBFAAQZNLNBXKM-UHFFFAOYSA-N 0 3 373.541 2.271 40 0 FEABHN Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019583811 539662036 /nfs/dbraw/zinc/66/20/36/539662036.db2.gz ZYRUFEVCSQHGRR-MRXNPFEDSA-N 0 3 370.501 2.182 40 0 FEABHN Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(N3CCCCC3)n2)C1 ZINC000019583811 539662040 /nfs/dbraw/zinc/66/20/40/539662040.db2.gz ZYRUFEVCSQHGRR-MRXNPFEDSA-N 0 3 370.501 2.182 40 0 FEABHN COc1ccccc1C1(O)CCN(CC(C)(C)CN2CCOCC2)CC1 ZINC000036741353 539993666 /nfs/dbraw/zinc/99/36/66/539993666.db2.gz AKTQEVXZYYJHEH-UHFFFAOYSA-N 0 3 362.514 2.337 40 0 FEABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccco2)nn1 ZINC000008298611 291048883 /nfs/dbraw/zinc/04/88/83/291048883.db2.gz LTLXKIHQNGVXSC-WDYCEAGBSA-N 0 3 371.485 2.241 40 0 biogenic,in-vitro FEABHN Cc1ncsc1CN1CC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257244853 223036508 /nfs/dbraw/zinc/03/65/08/223036508.db2.gz INBOVTAGYXITCV-CYBMUJFWSA-N 0 3 370.482 2.186 40 0 FEABHN Cc1cc(N)cc([C@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257268693 223044087 /nfs/dbraw/zinc/04/40/87/223044087.db2.gz MMUQNWREZYNWMI-LJQANCHMSA-N 0 3 351.406 2.348 40 0 FEABHN CN(C)CCNc1nc(NCc2cccs2)cc(-c2ccccn2)n1 ZINC000329066273 223132024 /nfs/dbraw/zinc/13/20/24/223132024.db2.gz XYLLTWVOKMKZHH-UHFFFAOYSA-N 0 3 354.483 2.030 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)cc2F)cc(C(F)(F)F)n1 ZINC000328996549 223128175 /nfs/dbraw/zinc/12/81/75/223128175.db2.gz JKDZGTLCPZLDOV-UHFFFAOYSA-N 0 3 361.318 2.335 40 0 FEABHN O=C(COc1ccccc1F)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000072390806 541803696 /nfs/dbraw/zinc/80/36/96/541803696.db2.gz SKLGNTBETFCDBQ-INIZCTEOSA-N 0 3 356.401 2.004 40 0 FEABHN CC(=O)N1Cc2cc(C)ccc2OC2(CCN(CCn3cccn3)CC2)C1 ZINC000072394454 541803944 /nfs/dbraw/zinc/80/39/44/541803944.db2.gz POKYMYOEAGSJDB-UHFFFAOYSA-N 0 3 368.481 2.467 40 0 FEABHN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc1 ZINC000073391344 541949185 /nfs/dbraw/zinc/94/91/85/541949185.db2.gz MFAQRALUOKQDAT-KNMUDHKVSA-N 0 3 357.406 2.492 40 0 FEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000073743153 541994426 /nfs/dbraw/zinc/99/44/26/541994426.db2.gz NZBKPVHXANNCCI-LBPRGKRZSA-N 0 3 368.275 2.297 40 0 FEABHN CCCc1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)no1 ZINC000019525316 220265384 /nfs/dbraw/zinc/26/53/84/220265384.db2.gz KBARJZLCOJIYEW-AWEZNQCLSA-N 0 3 369.469 2.425 40 0 FEABHN COc1cccc(OC)c1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019566894 220273229 /nfs/dbraw/zinc/27/32/29/220273229.db2.gz OEGUTSNHRUHVEU-OAHLLOKOSA-N 0 3 368.437 2.117 40 0 FEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590226 220279363 /nfs/dbraw/zinc/27/93/63/220279363.db2.gz YWYFQBNQEOVQRB-HNNXBMFYSA-N 0 3 358.486 2.456 40 0 FEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019590226 220279367 /nfs/dbraw/zinc/27/93/67/220279367.db2.gz YWYFQBNQEOVQRB-HNNXBMFYSA-N 0 3 358.486 2.456 40 0 FEABHN c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711028 220288602 /nfs/dbraw/zinc/28/86/02/220288602.db2.gz MBMNVZVPRWYEKX-GOSISDBHSA-N 0 3 366.513 2.361 40 0 FEABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096047828 542989314 /nfs/dbraw/zinc/98/93/14/542989314.db2.gz UVMPEXJMZDFIOL-QGZVFWFLSA-N 0 3 350.434 2.054 40 0 FEABHN Cc1ccccc1CN1CC[C@]2(C[C@@H](OCC(=O)N3CCCC3)CO2)C1 ZINC000096107752 222027026 /nfs/dbraw/zinc/02/70/26/222027026.db2.gz ISFIWAHMMZDQLR-CTNGQTDRSA-N 0 3 358.482 2.367 40 0 FEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCCO1 ZINC000096057288 222005529 /nfs/dbraw/zinc/00/55/29/222005529.db2.gz HVAGBEBBEJHASL-ZACQAIPSSA-N 0 3 350.484 2.387 40 0 FEABHN CN(C)CCNC(=O)c1ccnn1-c1ccc2ccc(-c3ccncc3)cn21 ZINC000096266964 222105917 /nfs/dbraw/zinc/10/59/17/222105917.db2.gz AMFRYKCMAMGPMB-UHFFFAOYSA-N 0 3 374.448 2.478 40 0 FEABHN COc1ccc(NC(=O)c2ccc3nnc([C@H]4CCN(C)C4)n3c2)cc1 ZINC000096156116 222056739 /nfs/dbraw/zinc/05/67/39/222056739.db2.gz HGWFXQDUNVUYAC-ZDUSSCGKSA-N 0 3 351.410 2.409 40 0 FEABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 ZINC000096158448 222058195 /nfs/dbraw/zinc/05/81/95/222058195.db2.gz ANOQUHBYNIOXBD-UHFFFAOYSA-N 0 3 351.454 2.390 40 0 FEABHN COC[C@@H]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1C ZINC000096207985 222078644 /nfs/dbraw/zinc/07/86/44/222078644.db2.gz YARWJMPAZRWNBA-HNNXBMFYSA-N 0 3 356.463 2.090 40 0 FEABHN CCN1CCOC[C@]2(CCCN(C(=O)c3nn(C)c4ccccc43)C2)C1 ZINC000096228868 222089299 /nfs/dbraw/zinc/08/92/99/222089299.db2.gz DLDLQCNYICXOBE-HXUWFJFHSA-N 0 3 356.470 2.148 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)CC1 ZINC000100747649 222252274 /nfs/dbraw/zinc/25/22/74/222252274.db2.gz IWXVZIFVBBHOBT-XYJFISCASA-N 0 3 372.513 2.376 40 0 FEABHN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 ZINC000020035292 523051120 /nfs/dbraw/zinc/05/11/20/523051120.db2.gz SIWZAIUKKAZUFD-QGZVFWFLSA-N 0 3 353.894 2.251 40 0 FEABHN Cn1cc(-c2cnc3ncn(C4CCN(Cc5cccnc5)CC4)c3n2)cn1 ZINC000306123852 534719089 /nfs/dbraw/zinc/71/90/89/534719089.db2.gz AYLQOMDAJDRNQS-UHFFFAOYSA-N 0 3 374.452 2.459 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218046575 548683183 /nfs/dbraw/zinc/68/31/83/548683183.db2.gz JVEFSRVRWZLJPV-CMKODMSKSA-N 0 3 373.474 2.443 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479409 548687595 /nfs/dbraw/zinc/68/75/95/548687595.db2.gz HQWCVMQDADPXSM-BJLQDIEVSA-N 0 3 373.474 2.443 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479485 548688192 /nfs/dbraw/zinc/68/81/92/548688192.db2.gz HQWCVMQDADPXSM-CMKODMSKSA-N 0 3 373.474 2.443 40 0 FEABHN CN(CC(=O)N1CC[C@@](O)(COc2cccc(F)c2)C1)C1CCCC1 ZINC000585277413 570489172 /nfs/dbraw/zinc/48/91/72/570489172.db2.gz UJMLLFMQNIITKV-IBGZPJMESA-N 0 3 350.434 2.042 40 0 FEABHN CC(=O)N1CCC(N2CCC(O)(COc3ccccc3F)CC2)CC1 ZINC000585281719 570491689 /nfs/dbraw/zinc/49/16/89/570491689.db2.gz QDKYAPPLNPLGEZ-UHFFFAOYSA-N 0 3 350.434 2.042 40 0 FEABHN CN(C)C(=O)[C@@]1(C)CN(C[C@@]2(O)CC[C@H](c3ccccc3)CC2)CCO1 ZINC000585283211 570493208 /nfs/dbraw/zinc/49/32/08/570493208.db2.gz LYWDLUSBLZDLNX-NRSPTQNISA-N 0 3 360.498 2.254 40 0 FEABHN CC(=O)Nc1ccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585292314 570496834 /nfs/dbraw/zinc/49/68/34/570496834.db2.gz GYBYEBYBRAGSKY-VAMGGRTRSA-N 0 3 358.413 2.105 40 0 FEABHN CCn1cc(CN2CC3(C2)C[C@H](COc2ccccn2)CCN3C)cn1 ZINC000585103416 571223479 /nfs/dbraw/zinc/22/34/79/571223479.db2.gz VQNXSAIGOUXJMA-QGZVFWFLSA-N 0 3 355.486 2.273 40 0 FEABHN CN1CCC(c2nccnc2CNC(=O)COc2ccc(F)cc2)CC1 ZINC000257337233 530051128 /nfs/dbraw/zinc/05/11/28/530051128.db2.gz YRYXUNDURPGJPY-UHFFFAOYSA-N 0 3 358.417 2.120 40 0 FEABHN CN1CCN(C(=O)CN2CCCC2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257274259 530067991 /nfs/dbraw/zinc/06/79/91/530067991.db2.gz NKFPLAOAFVJOIQ-GOSISDBHSA-N 0 3 366.509 2.263 40 0 FEABHN Cc1ccc(NC(=O)CNCCCN2CCOCC2)cc1Br ZINC000026440600 539786285 /nfs/dbraw/zinc/78/62/85/539786285.db2.gz LCBNBGASSDPCKP-UHFFFAOYSA-N 0 3 370.291 2.008 40 0 FEABHN O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030944330 539894499 /nfs/dbraw/zinc/89/44/99/539894499.db2.gz KRLGCSCAYUSCFJ-KRWDZBQOSA-N 0 3 365.905 2.000 40 0 FEABHN COc1ccc(CCNCC(=O)Nc2ccccc2N2CCOCC2)cc1 ZINC000035311452 539979770 /nfs/dbraw/zinc/97/97/70/539979770.db2.gz PZMMKZHLDPTWDK-UHFFFAOYSA-N 0 3 369.465 2.303 40 0 FEABHN COc1ccc([C@H](CN)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000035622936 539983850 /nfs/dbraw/zinc/98/38/50/539983850.db2.gz HRDVPEGYZCNYSZ-GJZGRUSLSA-N 0 3 365.474 2.303 40 0 FEABHN Cc1cc(C)nc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257202422 223017166 /nfs/dbraw/zinc/01/71/66/223017166.db2.gz ALSISWIKCOSFMZ-GOSISDBHSA-N 0 3 354.454 2.369 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)cn1 ZINC000257342292 223073837 /nfs/dbraw/zinc/07/38/37/223073837.db2.gz ZOABRSGOPXXAKE-NRFANRHFSA-N 0 3 351.450 2.025 40 0 FEABHN O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2cccnc2)C1 ZINC000306130631 223108748 /nfs/dbraw/zinc/10/87/48/223108748.db2.gz JLRILJIVNXHENJ-NRFANRHFSA-N 0 3 359.433 2.248 40 0 FEABHN CN(C)CCNc1nc(Nc2c(F)cccc2F)cc(C(F)(F)F)n1 ZINC000329064208 223132642 /nfs/dbraw/zinc/13/26/42/223132642.db2.gz XHTXEBUVXNYQQW-UHFFFAOYSA-N 0 3 361.318 2.335 40 0 FEABHN O=C(NC1CCCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306144777 223114805 /nfs/dbraw/zinc/11/48/05/223114805.db2.gz ZOJDJVMDLXPIKE-GJZGRUSLSA-N 0 3 371.510 2.316 40 0 FEABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4F)C[C@H]32)c(OC)n1 ZINC000072392576 541803828 /nfs/dbraw/zinc/80/38/28/541803828.db2.gz CHLFFWNAGVJDAE-GQWAEJPESA-N 0 3 373.428 2.363 40 0 FEABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390817 541803927 /nfs/dbraw/zinc/80/39/27/541803927.db2.gz MCTMSMYSOVNEBQ-FZKQIMNGSA-N 0 3 370.428 2.392 40 0 FEABHN Cc1ccc2c(c1)CN(C(=O)[C@@H](N)c1ccccc1)[C@@H](CN(C)C)CO2 ZINC000072395245 541804178 /nfs/dbraw/zinc/80/41/78/541804178.db2.gz QCKSAKOZTZDKTA-ICSRJNTNSA-N 0 3 353.466 2.346 40 0 FEABHN Cc1ccc2c(c1)C(=O)N(CC(=O)NC(C)(C)C)CC1(CCN(C)CC1)O2 ZINC000019218547 220242048 /nfs/dbraw/zinc/24/20/48/220242048.db2.gz SIQFDURTODSNAM-UHFFFAOYSA-N 0 3 373.497 2.209 40 0 FEABHN Cc1nc([C@H]2CC[N@H+](Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[n-]1 ZINC000019285240 220243245 /nfs/dbraw/zinc/24/32/45/220243245.db2.gz YJOBXYNRYFSNQF-INIZCTEOSA-N 0 3 352.438 2.195 40 0 FEABHN Cc1nc([C@H]2CC[N@@H+](Cc3ccc(N4CCCC4=O)cc3)C2)cc(=O)[n-]1 ZINC000019285240 220243248 /nfs/dbraw/zinc/24/32/48/220243248.db2.gz YJOBXYNRYFSNQF-INIZCTEOSA-N 0 3 352.438 2.195 40 0 FEABHN O=C([C@H]1OCCc2ccccc21)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019375459 220255815 /nfs/dbraw/zinc/25/58/15/220255815.db2.gz HMSAMJJEWBXTRA-MOPGFXCFSA-N 0 3 364.449 2.100 40 0 FEABHN CCCc1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)no1 ZINC000019525296 220265837 /nfs/dbraw/zinc/26/58/37/220265837.db2.gz RIMKDOHGJZRXRU-UHFFFAOYSA-N 0 3 355.442 2.083 40 0 FEABHN CCCc1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cn1 ZINC000019525776 220266776 /nfs/dbraw/zinc/26/67/76/220266776.db2.gz UINHDFBJRXEJBJ-QHAWAJNXSA-N 0 3 366.509 2.291 40 0 FEABHN CN1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)ncc2C1 ZINC000019590356 220277341 /nfs/dbraw/zinc/27/73/41/220277341.db2.gz WOZWSYHOAWWLSB-SFHVURJKSA-N 0 3 372.494 2.380 40 0 FEABHN COc1cccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590557 220278874 /nfs/dbraw/zinc/27/88/74/220278874.db2.gz ZTAGDIRHLILUKY-SFHVURJKSA-N 0 3 352.438 2.450 40 0 FEABHN C[N@@H+]1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[n-]c2=O)C1 ZINC000019590748 220279195 /nfs/dbraw/zinc/27/91/95/220279195.db2.gz NDQONBKHPFDNGK-UHFFFAOYSA-N 0 3 370.428 2.329 40 0 FEABHN C[N@H+]1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[n-]c2=O)C1 ZINC000019590748 220279201 /nfs/dbraw/zinc/27/92/01/220279201.db2.gz NDQONBKHPFDNGK-UHFFFAOYSA-N 0 3 370.428 2.329 40 0 FEABHN CNc1cc(C)nc([C@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)c1 ZINC000257327165 533047101 /nfs/dbraw/zinc/04/71/01/533047101.db2.gz XAGRMJDYPOFELX-QGZVFWFLSA-N 0 3 353.488 2.468 40 0 FEABHN CC1CCN([C@@H](CNC(=O)Cc2nnc(N)s2)c2ccccc2)CC1 ZINC000019655288 220281556 /nfs/dbraw/zinc/28/15/56/220281556.db2.gz POVLIMFYPFZJSG-HNNXBMFYSA-N 0 3 359.499 2.252 40 0 FEABHN CCN(C(=O)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)C1CCN(C)CC1 ZINC000019665946 220283434 /nfs/dbraw/zinc/28/34/34/220283434.db2.gz KNTZNARJLYEHHD-MRXNPFEDSA-N 0 3 361.461 2.117 40 0 FEABHN O=C(c1cc2ccccc2o1)N1CCC[C@H](c2nnc3n2CCNCC3)C1 ZINC000019709225 220287978 /nfs/dbraw/zinc/28/79/78/220287978.db2.gz MMXKTJCVJKZSLP-HNNXBMFYSA-N 0 3 365.437 2.190 40 0 FEABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096048077 542989336 /nfs/dbraw/zinc/98/93/36/542989336.db2.gz VLVHWXIIKGWBNV-LJQANCHMSA-N 0 3 355.486 2.071 40 0 FEABHN O=C(Nc1cnccn1)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 ZINC000096043356 542988509 /nfs/dbraw/zinc/98/85/09/542988509.db2.gz YUIISNHHWNGAAP-OWCLPIDISA-N 0 3 358.467 2.404 40 0 FEABHN COCCNC(=O)[C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096111127 222029984 /nfs/dbraw/zinc/02/99/84/222029984.db2.gz OMGBKPBETHAEOE-QGZVFWFLSA-N 0 3 350.434 2.102 40 0 FEABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1ccccn1)CC2 ZINC000096240391 222095055 /nfs/dbraw/zinc/09/50/55/222095055.db2.gz ZVXVILNYTARZQK-SFHVURJKSA-N 0 3 353.470 2.379 40 0 FEABHN Cc1nnc(NC[C@H]2CO[C@@]3(C2)COCCN(Cc2ccccc2)C3)o1 ZINC000096240593 222095735 /nfs/dbraw/zinc/09/57/35/222095735.db2.gz LFMSMGHBGWJXEK-PKOBYXMFSA-N 0 3 358.442 2.098 40 0 FEABHN COCCN1CCc2cc(C(=O)NCC3CC3)c(NC(C)C)nc2CC1 ZINC000096260467 222102958 /nfs/dbraw/zinc/10/29/58/222102958.db2.gz BLWRFWZCRHIWLF-UHFFFAOYSA-N 0 3 360.502 2.089 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1c1cccc(OC)c1 ZINC000257256573 528947129 /nfs/dbraw/zinc/94/71/29/528947129.db2.gz KMBAERNKOVMWME-MJGOQNOKSA-N 0 3 361.486 2.015 40 0 FEABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1Cl ZINC000257302263 528947948 /nfs/dbraw/zinc/94/79/48/528947948.db2.gz SCEXRSBQTBPXSW-PBHICJAKSA-N 0 3 351.878 2.317 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218046333 548683686 /nfs/dbraw/zinc/68/36/86/548683686.db2.gz JVEFSRVRWZLJPV-HBFSDRIKSA-N 0 3 373.474 2.443 40 0 FEABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218427166 548686544 /nfs/dbraw/zinc/68/65/44/548686544.db2.gz DKHUZSXPMRLOQT-DLBZAZTESA-N 0 3 364.898 2.492 40 0 FEABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218458677 548687712 /nfs/dbraw/zinc/68/77/12/548687712.db2.gz OVMFRLTZNCIPHT-UFYCRDLUSA-N 0 3 359.491 2.435 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000252515094 549671846 /nfs/dbraw/zinc/67/18/46/549671846.db2.gz GZPIUKGUOFDJAC-WOSRLPQWSA-N 0 3 374.890 2.073 40 0 FEABHN Cc1nccc(C[C@H]2[C@H](NCc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382047 568286953 /nfs/dbraw/zinc/28/69/53/568286953.db2.gz AVYNEWQZTJGZME-NCXUSEDFSA-N 0 3 361.873 2.129 40 0 biogenic,in-vitro FEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382167 568286999 /nfs/dbraw/zinc/28/69/99/568286999.db2.gz ILCBFGPWRHSWIA-HNBVOPMISA-N 0 3 371.456 2.183 40 0 biogenic,in-vitro FEABHN CCOCCOc1ccc(CNC[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270530 570485061 /nfs/dbraw/zinc/48/50/61/570485061.db2.gz LTYXXXHNSTVGRX-OAQYLSRUSA-N 0 3 371.481 2.228 40 0 FEABHN CN(C)C(=O)COCC[C@@H]1CCOC12CCN(Cc1ccco1)CC2 ZINC000585104336 571222973 /nfs/dbraw/zinc/22/29/73/571222973.db2.gz HFBJXPIHUSAOJG-MRXNPFEDSA-N 0 3 350.459 2.146 40 0 FEABHN Cc1ccc(=O)n(CC2(O)CCN(Cc3cccc4ncccc34)CC2)n1 ZINC000012187750 539548606 /nfs/dbraw/zinc/54/86/06/539548606.db2.gz HBBNEOXAYQQPNL-UHFFFAOYSA-N 0 3 364.449 2.127 40 0 FEABHN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019078823 539651939 /nfs/dbraw/zinc/65/19/39/539651939.db2.gz LCSSFCCCGUEILS-FZKQIMNGSA-N 0 3 370.428 2.392 40 0 FEABHN C[C@H]1CN(c2nccc(CN3CCN(C4CCCC4)CC3)n2)C[C@H](C)O1 ZINC000019497701 539658385 /nfs/dbraw/zinc/65/83/85/539658385.db2.gz ZVFPYESHZVWJOM-IRXDYDNUSA-N 0 3 359.518 2.150 40 0 FEABHN CN(C)C[C@@H]1COc2ccccc2CN1C[C@@H]1CCCN1C(=O)C1CC1 ZINC000019582119 539662271 /nfs/dbraw/zinc/66/22/71/539662271.db2.gz UTNKAJWVAABOBW-RBUKOAKNSA-N 0 3 357.498 2.212 40 0 FEABHN Cc1ccc(OCCN2CCCC2)c(NC(=O)c2cccn3nnnc23)c1 ZINC000019661908 539664364 /nfs/dbraw/zinc/66/43/64/539664364.db2.gz NMBUECYLIOCVRH-UHFFFAOYSA-N 0 3 366.425 2.160 40 0 FEABHN CC1(C)Cc2cc(CN3CCC[C@@H]3c3nnc4n3CCNCC4)ccc2O1 ZINC000019710664 539667334 /nfs/dbraw/zinc/66/73/34/539667334.db2.gz JSMQVCJEJZULJG-QGZVFWFLSA-N 0 3 367.497 2.474 40 0 FEABHN CNc1cc(CN(C)C(=O)Cc2ccc(C)cc2)nc([C@H]2CCCN2)n1 ZINC000019759819 539669235 /nfs/dbraw/zinc/66/92/35/539669235.db2.gz VRGYEMDGPOGKLM-QGZVFWFLSA-N 0 3 353.470 2.452 40 0 FEABHN CCOC(=O)[C@@H]1CN(CCC(C)C)C[C@]12COc1ccccc1C(=O)N2 ZINC000072334306 541799446 /nfs/dbraw/zinc/79/94/46/541799446.db2.gz YEUPHDBWHOHRAV-JXFKEZNVSA-N 0 3 360.454 2.089 40 0 FEABHN CCc1cc2cc3c(cc2n2c(=O)n(CCN4CCCC4)nc12)OCO3 ZINC000072346881 541801063 /nfs/dbraw/zinc/80/10/63/541801063.db2.gz CBBYDQYJAWLDDG-UHFFFAOYSA-N 0 3 354.410 2.036 40 0 FEABHN CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCN(C)CC2)C1 ZINC000072395267 541804136 /nfs/dbraw/zinc/80/41/36/541804136.db2.gz HAQRXPPOWKUGBM-MRXNPFEDSA-N 0 3 355.486 2.036 40 0 FEABHN CC1=CC2=NC(=O)C[C@@](C)(C(=O)NC(C)(C)CN3CCC[C@H](C)C3)N2C=C1 ZINC000036741117 205021082 /nfs/dbraw/zinc/02/10/82/205021082.db2.gz METCUPCESNKADG-KKSFZXQISA-N 0 3 372.513 2.476 40 0 FEABHN CCNC(=S)N(CCN(C)C)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000004133432 206168660 /nfs/dbraw/zinc/16/86/60/206168660.db2.gz WBNQKKSNTTTZEM-UHFFFAOYSA-N 0 3 360.527 2.349 40 0 FEABHN CCC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCCC2)CC1 ZINC000019501903 206326836 /nfs/dbraw/zinc/32/68/36/206326836.db2.gz RIGDZTKWNUENHW-KRWDZBQOSA-N 0 3 350.511 2.111 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 ZINC000218575413 206371630 /nfs/dbraw/zinc/37/16/30/206371630.db2.gz IKTCSXCRBBOLAE-IKGGRYGDSA-N 0 3 350.871 2.244 40 0 FEABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218653601 206373141 /nfs/dbraw/zinc/37/31/41/206373141.db2.gz LKTKXNZPVNDZGW-OKZBNKHCSA-N 0 3 364.898 2.498 40 0 FEABHN NC[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218432360 206369997 /nfs/dbraw/zinc/36/99/97/206369997.db2.gz SIKQPQOTOFKFHB-IXDOHACOSA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)C2(CN)CN)cc1 ZINC000218390390 206370624 /nfs/dbraw/zinc/37/06/24/206370624.db2.gz IEWOSWZVKGMLJN-SJORKVTESA-N 0 3 364.898 2.492 40 0 FEABHN Cc1occc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 ZINC000096039535 542988431 /nfs/dbraw/zinc/98/84/31/542988431.db2.gz GBBGCHHUUPUUDK-HKUYNNGSSA-N 0 3 350.459 2.178 40 0 FEABHN Cn1cc(CN2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)cn1 ZINC000096207588 542996200 /nfs/dbraw/zinc/99/62/00/542996200.db2.gz HXOIYMIYMPYSFN-IBGZPJMESA-N 0 3 356.470 2.403 40 0 FEABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1)c1cnccn1 ZINC000096209555 542996307 /nfs/dbraw/zinc/99/63/07/542996307.db2.gz DHUBYUHGDNNIBQ-RDTXWAMCSA-N 0 3 358.467 2.092 40 0 FEABHN CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096243643 542996801 /nfs/dbraw/zinc/99/68/01/542996801.db2.gz HIYPOJAPSRSIPX-SFHVURJKSA-N 0 3 368.481 2.298 40 0 FEABHN COC[C@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cnccn1)CC2 ZINC000247880753 549389628 /nfs/dbraw/zinc/38/96/28/549389628.db2.gz QBUSSJUSKBWNSO-MRXNPFEDSA-N 0 3 370.453 2.070 40 0 FEABHN CN(Cc1ccco1)C[C@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1 ZINC000248134066 549409089 /nfs/dbraw/zinc/40/90/89/549409089.db2.gz RCKDNTYZQKQPQY-MRXNPFEDSA-N 0 3 371.485 2.253 40 0 FEABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000252515336 549671804 /nfs/dbraw/zinc/67/18/04/549671804.db2.gz IVOJQXDNJLFQSY-OAGGEKHMSA-N 0 3 354.834 2.075 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000252515095 549671975 /nfs/dbraw/zinc/67/19/75/549671975.db2.gz GZPIUKGUOFDJAC-XJKCOSOUSA-N 0 3 374.890 2.073 40 0 FEABHN Cc1n[nH]cc1CN1CCC(Cc2cc(Nc3cnccn3)ncn2)CC1 ZINC000257214577 549718946 /nfs/dbraw/zinc/71/89/46/549718946.db2.gz CMNDNLUVLBTYBM-UHFFFAOYSA-N 0 3 364.457 2.496 40 0 FEABHN Cc1nn(C)cc1-c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C)C3)on1 ZINC000257264075 549722988 /nfs/dbraw/zinc/72/29/88/549722988.db2.gz LSUQAJQOAAUBQU-UUZHKXTQSA-N 0 3 369.469 2.471 40 0 FEABHN CC(=O)N1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)CC1 ZINC000257305345 549726004 /nfs/dbraw/zinc/72/60/04/549726004.db2.gz SPOHDDGARYXBIE-UHFFFAOYSA-N 0 3 366.465 2.115 40 0 FEABHN O=C(Cc1ccsc1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257312167 549726105 /nfs/dbraw/zinc/72/61/05/549726105.db2.gz UMTGZDZEUSNBFX-FQEVSTJZSA-N 0 3 356.491 2.312 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306133248 553749943 /nfs/dbraw/zinc/74/99/43/553749943.db2.gz MGRMYTMTVZARBT-IRXDYDNUSA-N 0 3 374.448 2.230 40 0 FEABHN Cc1ccsc1CN1C[C@H](c2ccnn2C(C)C)[C@]2(C1)OCCNC2=O ZINC000306132854 553749996 /nfs/dbraw/zinc/74/99/96/553749996.db2.gz LUMPORMAZUTBBB-BEFAXECRSA-N 0 3 374.510 2.319 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306135548 553750199 /nfs/dbraw/zinc/75/01/99/553750199.db2.gz OUOUWZYCCPZNEV-HUUCEWRRSA-N 0 3 369.444 2.004 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306139547 553750306 /nfs/dbraw/zinc/75/03/06/553750306.db2.gz SZXPFBZTWYDZKO-LSDHHAIUSA-N 0 3 363.421 2.428 40 0 FEABHN CN(C)CCNc1nc(NCc2ccc(F)cc2)cc(-c2ccncc2)n1 ZINC000328992490 553860261 /nfs/dbraw/zinc/86/02/61/553860261.db2.gz IVSUHMSMVBOKMU-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2F)cc(C(F)(F)F)n1 ZINC000329032266 553867967 /nfs/dbraw/zinc/86/79/67/553867967.db2.gz QOFOWVSXNRFBEY-UHFFFAOYSA-N 0 3 361.318 2.335 40 0 FEABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccc(F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382113 568286993 /nfs/dbraw/zinc/28/69/93/568286993.db2.gz FCVLDYJTNOWOQM-UAFMIMERSA-N 0 3 373.472 2.429 40 0 biogenic,in-vitro FEABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCCCCC1 ZINC000585285114 570493985 /nfs/dbraw/zinc/49/39/85/570493985.db2.gz CNZHSHGZVGYPGD-FQEVSTJZSA-N 0 3 367.461 2.353 40 0 FEABHN Cc1nccn1CC1(O)CCN(Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000019287975 539654544 /nfs/dbraw/zinc/65/45/44/539654544.db2.gz BVOABECRXHMWJZ-UHFFFAOYSA-N 0 3 368.481 2.345 40 0 FEABHN O=C(COc1ccc(F)cc1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019335735 539654925 /nfs/dbraw/zinc/65/49/25/539654925.db2.gz LHWMMZPGNFPKLS-SFHVURJKSA-N 0 3 370.428 2.394 40 0 FEABHN O=C(Cc1ccccc1F)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019348106 539655960 /nfs/dbraw/zinc/65/59/60/539655960.db2.gz YHOJADWCBHERAH-HNNXBMFYSA-N 0 3 354.429 2.210 40 0 FEABHN CCOc1ccccc1C(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019520040 539658399 /nfs/dbraw/zinc/65/83/99/539658399.db2.gz IDICDNGOMWIBOO-AWEZNQCLSA-N 0 3 352.438 2.151 40 0 FEABHN CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019521212 539658824 /nfs/dbraw/zinc/65/88/24/539658824.db2.gz ULLKKDLNDSHQIJ-CQSZACIVSA-N 0 3 369.469 2.343 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 ZINC000019590432 539663326 /nfs/dbraw/zinc/66/33/26/539663326.db2.gz IMUMHICZDKEFDD-CQSZACIVSA-N 0 3 367.453 2.350 40 0 FEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)n1 ZINC000019572858 539662093 /nfs/dbraw/zinc/66/20/93/539662093.db2.gz DFYMBFBQIDVHDA-QAPCUYQASA-N 0 3 368.485 2.250 40 0 FEABHN COc1ccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590616 539663487 /nfs/dbraw/zinc/66/34/87/539663487.db2.gz GAYNDASTRHOXAW-MRXNPFEDSA-N 0 3 366.465 2.032 40 0 FEABHN COc1cccc(C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590640 539663569 /nfs/dbraw/zinc/66/35/69/539663569.db2.gz SRWGJYPQXPLHTF-OAHLLOKOSA-N 0 3 352.438 2.103 40 0 FEABHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1F ZINC000030752990 539890473 /nfs/dbraw/zinc/89/04/73/539890473.db2.gz QHRKRWOWFIYQKZ-ZIAGYGMSSA-N 0 3 358.479 2.481 40 0 FEABHN CNCC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3cccc(C)n3)n2)C1 ZINC000072360908 541802019 /nfs/dbraw/zinc/80/20/19/541802019.db2.gz FAIWFFTYXYVSBR-OAHLLOKOSA-N 0 3 354.458 2.157 40 0 FEABHN CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)[nH]c2=O)C1 ZINC000072398716 541804908 /nfs/dbraw/zinc/80/49/08/541804908.db2.gz NEMHGDKGTPQETL-CZUORRHYSA-N 0 3 358.486 2.311 40 0 FEABHN Cc1nccc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)n1 ZINC000019287536 204675448 /nfs/dbraw/zinc/67/54/48/204675448.db2.gz WQXMKMOIDFIKAG-MRXNPFEDSA-N 0 3 362.437 2.310 40 0 FEABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218427090 206370291 /nfs/dbraw/zinc/37/02/91/206370291.db2.gz DKHUZSXPMRLOQT-IAGOWNOFSA-N 0 3 364.898 2.492 40 0 FEABHN CN(C)C(=O)CN[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC000096079065 132218534 /nfs/dbraw/zinc/21/85/34/132218534.db2.gz DTLQXRVGRIUGAK-GOSISDBHSA-N 0 3 365.481 2.137 40 0 FEABHN Fc1ccc(CN2C[C@@H]3Cc4cnc(N5CCOCC5)nc4[C@H]3C2)cc1 ZINC000306138800 132301839 /nfs/dbraw/zinc/30/18/39/132301839.db2.gz SHSWCXOFZHSZIQ-WMZOPIPTSA-N 0 3 354.429 2.224 40 0 FEABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)C(C)C)c2)CC1 ZINC000019698134 132890698 /nfs/dbraw/zinc/89/06/98/132890698.db2.gz YGURCBRXCGFRBC-IBGZPJMESA-N 0 3 358.486 2.378 40 0 FEABHN CCCS(=O)(=O)N1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC000096221051 542996191 /nfs/dbraw/zinc/99/61/91/542996191.db2.gz ASGPTVVMYVMJLF-GOSISDBHSA-N 0 3 366.527 2.482 40 0 FEABHN CC(=O)N1CC2(CCN(Cc3ccsc3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000097952875 543016634 /nfs/dbraw/zinc/01/66/34/543016634.db2.gz GELWLSTVCHPDJW-LJQANCHMSA-N 0 3 361.511 2.041 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)CC1 ZINC000100748604 543025913 /nfs/dbraw/zinc/02/59/13/543025913.db2.gz MKLIOWOSAYQRBE-MAEOIBBWSA-N 0 3 372.513 2.376 40 0 FEABHN CC[C@H](CO)NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540583 263351787 /nfs/dbraw/zinc/35/17/87/263351787.db2.gz CZNFMKLNZYRYHI-OAHLLOKOSA-N 0 3 361.394 2.380 40 0 FEABHN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000331796223 330201689 /nfs/dbraw/zinc/20/16/89/330201689.db2.gz IQYXPNFCOJZSGN-LZQZEXGQSA-N 0 3 372.513 2.426 40 0 FEABHN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCN(C)CC1 ZINC000020035296 522884252 /nfs/dbraw/zinc/88/42/52/522884252.db2.gz SIWZAIUKKAZUFD-KRWDZBQOSA-N 0 3 353.894 2.251 40 0 FEABHN Cc1cc(CN2CC3(C2)CC[C@@H](CN(C)Cc2ccco2)CO3)n(C)n1 ZINC000247932929 549393469 /nfs/dbraw/zinc/39/34/69/549393469.db2.gz RIYMFQTWLDJAPL-KRWDZBQOSA-N 0 3 358.486 2.435 40 0 FEABHN Cc1nccn1CCCNC(=O)c1ccccc1-n1cc(CN(C)C)cn1 ZINC000257212558 549718847 /nfs/dbraw/zinc/71/88/47/549718847.db2.gz CDYHTABRCRBXPU-UHFFFAOYSA-N 0 3 366.469 2.259 40 0 FEABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3cscn3)[C@H]2C1 ZINC000306131269 553749042 /nfs/dbraw/zinc/74/90/42/553749042.db2.gz JZQYKUIEQRJMMC-GZBFAFLISA-N 0 3 363.508 2.390 40 0 FEABHN Cn1cc(-c2cnc3n2C[C@]2(C3)COCCN(Cc3cccs3)C2)cn1 ZINC000306133065 553749604 /nfs/dbraw/zinc/74/96/04/553749604.db2.gz MASLNWNOOWAULU-LJQANCHMSA-N 0 3 369.494 2.420 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306131658 553749656 /nfs/dbraw/zinc/74/96/56/553749656.db2.gz KLKVWIFLQOIZQW-CABCVRRESA-N 0 3 373.888 2.374 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306139546 553750488 /nfs/dbraw/zinc/75/04/88/553750488.db2.gz SZXPFBZTWYDZKO-HUUCEWRRSA-N 0 3 363.421 2.428 40 0 FEABHN CN1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccoc3)CC2)C1 ZINC000306139641 553750721 /nfs/dbraw/zinc/75/07/21/553750721.db2.gz TWMFLKUKLJCMIV-UHFFFAOYSA-N 0 3 364.453 2.370 40 0 FEABHN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333302171 554600427 /nfs/dbraw/zinc/60/04/27/554600427.db2.gz QGEFGPVOVNMMCH-NALNUFGESA-N 0 3 356.397 2.307 40 0 FEABHN COc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@@H]3CN2Cc2ccccc2)cc1 ZINC000409430665 558690604 /nfs/dbraw/zinc/69/06/04/558690604.db2.gz MWHUUMNAGNNBKH-CEXWTWQISA-N 0 3 350.418 2.483 40 0 FEABHN O[C@@H]1C[C@@H]2CN(Cc3ccccc3)CC3(CN(Cc4ccccc4)C3)N2C1 ZINC000514288518 560034841 /nfs/dbraw/zinc/03/48/41/560034841.db2.gz BVQZNRDKSDQTCP-FGZHOGPDSA-N 0 3 363.505 2.192 40 0 biogenic,in-vitro FEABHN Cc1ccc(C)c(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1C ZINC000585287812 570495866 /nfs/dbraw/zinc/49/58/66/570495866.db2.gz SIZBCFPRJWBWAC-RXVVDRJESA-N 0 3 363.498 2.093 40 0 FEABHN Cc1csc(Nc2cc(C3CN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585292870 570497446 /nfs/dbraw/zinc/49/74/46/570497446.db2.gz SZWSYGJFPXGQGC-AATRIKPKSA-N 0 3 372.498 2.337 40 0 FEABHN COc1ccc(CN2CCC(c3[nH]nc4nccnc43)CC2)cc1CO ZINC000012228321 539551466 /nfs/dbraw/zinc/55/14/66/539551466.db2.gz JWRDMBZJOWSIBE-UHFFFAOYSA-N 0 3 353.426 2.233 40 0 FEABHN C[C@H]1CCCN(CC(=O)N2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019496493 539658091 /nfs/dbraw/zinc/65/80/91/539658091.db2.gz UESQDFYMSNYBDQ-DLBZAZTESA-N 0 3 372.513 2.018 40 0 FEABHN C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019497971 539658103 /nfs/dbraw/zinc/65/81/03/539658103.db2.gz ZZNPZZLZZYARCZ-ACJLOTCBSA-N 0 3 364.449 2.423 40 0 FEABHN CCc1noc(C)c1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019521194 539658732 /nfs/dbraw/zinc/65/87/32/539658732.db2.gz UIKLXWXDOYXROQ-UHFFFAOYSA-N 0 3 369.469 2.343 40 0 FEABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cc1nonc1N ZINC000019590186 539663236 /nfs/dbraw/zinc/66/32/36/539663236.db2.gz YUJWPBGSEAJCPM-SZVBFZGTSA-N 0 3 369.469 2.063 40 0 FEABHN COc1ccc(CCC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019554575 539661399 /nfs/dbraw/zinc/66/13/99/539661399.db2.gz JNQQNMAXKXETQO-LJQANCHMSA-N 0 3 366.465 2.427 40 0 FEABHN CN1CCc2nc([C@@H]3CCN(C(=O)Cc4ccccc4F)C3)ncc2C1 ZINC000019590620 539662868 /nfs/dbraw/zinc/66/28/68/539662868.db2.gz GGJZUASEYNNQFM-OAHLLOKOSA-N 0 3 354.429 2.162 40 0 FEABHN CCc1nccn1[C@H](C)C(=O)N1CCC(c2cc(CN(C)C)[nH]n2)CC1 ZINC000019708939 539666673 /nfs/dbraw/zinc/66/66/73/539666673.db2.gz HHHDZPJVXSKWIE-CQSZACIVSA-N 0 3 358.490 2.197 40 0 FEABHN CC1(C)Cc2cc(CN3CCC[C@H]3c3nnc4n3CCNCC4)ccc2O1 ZINC000019710665 539667320 /nfs/dbraw/zinc/66/73/20/539667320.db2.gz JSMQVCJEJZULJG-KRWDZBQOSA-N 0 3 367.497 2.474 40 0 FEABHN N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ccnc3nccn32)C1 ZINC000072360632 541802011 /nfs/dbraw/zinc/80/20/11/541802011.db2.gz PILMTQFWRSNISG-DOTOQJQBSA-N 0 3 367.428 2.144 40 0 FEABHN Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC3CC3)CC1)O2 ZINC000072394418 541803860 /nfs/dbraw/zinc/80/38/60/541803860.db2.gz DOHRBRARFIWIQZ-UHFFFAOYSA-N 0 3 364.511 2.394 40 0 FEABHN COc1ccc(OC)c(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019551088 204688906 /nfs/dbraw/zinc/68/89/06/204688906.db2.gz PTNILEQSECJZRU-KRWDZBQOSA-N 0 3 368.437 2.117 40 0 FEABHN CN(C[C@@H]1CCCN(Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 ZINC000036740645 205020904 /nfs/dbraw/zinc/02/09/04/205020904.db2.gz VJPLICXXVQSGRV-RBUKOAKNSA-N 0 3 350.528 2.408 40 0 FEABHN CCS(=O)(=O)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000096080782 542991030 /nfs/dbraw/zinc/99/10/30/542991030.db2.gz LWNVEVLPLKQOKF-ZIAGYGMSSA-N 0 3 362.417 2.419 40 0 FEABHN CCCS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158394 542994559 /nfs/dbraw/zinc/99/45/59/542994559.db2.gz ORGCSXLPZKWMGL-UHFFFAOYSA-N 0 3 351.516 2.499 40 0 FEABHN C(CN1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1)N1CCCC1 ZINC000096254127 542997701 /nfs/dbraw/zinc/99/77/01/542997701.db2.gz ROMMBWUIISHPMU-UHFFFAOYSA-N 0 3 356.518 2.105 40 0 FEABHN COCCN1CCc2cc(C(=O)N3CCCC3)c(NCC(C)C)nc2CC1 ZINC000096260545 542998108 /nfs/dbraw/zinc/99/81/08/542998108.db2.gz XERXAEDPPAXKQL-UHFFFAOYSA-N 0 3 374.529 2.433 40 0 FEABHN COc1ccc(CN2CCOC[C@@]3(CCN(Cc4nccn4C)C3)C2)cc1 ZINC000096062358 542990338 /nfs/dbraw/zinc/99/03/38/542990338.db2.gz TWAQGVYWUZDTHJ-OAQYLSRUSA-N 0 3 370.497 2.153 40 0 FEABHN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000331796220 330201664 /nfs/dbraw/zinc/20/16/64/330201664.db2.gz IQYXPNFCOJZSGN-ATZDWAIDSA-N 0 3 372.513 2.426 40 0 FEABHN COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223261445 548718125 /nfs/dbraw/zinc/71/81/25/548718125.db2.gz MWEJTEVXLWZUMI-QZTJIDSGSA-N 0 3 373.526 2.064 40 0 FEABHN CCS(=O)(=O)NC[C@@H]1CO[C@@H]2CN(Cc3cccc4ccccc43)C[C@H]12 ZINC000253490401 549689533 /nfs/dbraw/zinc/68/95/33/549689533.db2.gz INRSAKLYSLYDPN-MISYRCLQSA-N 0 3 374.506 2.226 40 0 FEABHN CCCCc1ncc(CN2CCO[C@H](c3nccc(CN(C)C)n3)C2)[nH]1 ZINC000257213317 549718774 /nfs/dbraw/zinc/71/87/74/549718774.db2.gz CHAYVBLPAWHEPI-KRWDZBQOSA-N 0 3 358.490 2.177 40 0 FEABHN c1ncc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)[nH]1 ZINC000257265324 549722916 /nfs/dbraw/zinc/72/29/16/549722916.db2.gz LYFDIHMNMQDRAI-UHFFFAOYSA-N 0 3 350.430 2.188 40 0 FEABHN CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@H]2CCCCN2C)cn1 ZINC000257294524 549725649 /nfs/dbraw/zinc/72/56/49/549725649.db2.gz QUNWIXAHHSFMBD-QGZVFWFLSA-N 0 3 355.486 2.148 40 0 FEABHN Cc1ccc2nc(C(=O)N3CCO[C@@H](c4cc(N)cc(C)n4)C3)cn2c1 ZINC000257335561 549728827 /nfs/dbraw/zinc/72/88/27/549728827.db2.gz YKRWLJHJIWKHMD-QGZVFWFLSA-N 0 3 351.410 2.142 40 0 FEABHN Nc1nc2c(c(N)n1)CC1(CCN(Cc3ccc4[nH]ccc4c3)CC1)O2 ZINC000257344854 549728952 /nfs/dbraw/zinc/72/89/52/549728952.db2.gz ZYWWEYSQDGVONS-UHFFFAOYSA-N 0 3 350.426 2.092 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2)cc(-c2ccccn2)n1 ZINC000329013931 553864497 /nfs/dbraw/zinc/86/44/97/553864497.db2.gz MRVNDBIZTOFZNM-UHFFFAOYSA-N 0 3 352.417 2.239 40 0 FEABHN CN(C)CCNc1nc(NCCc2ccccn2)cc(-c2ccccc2)n1 ZINC000329031366 553867884 /nfs/dbraw/zinc/86/78/84/553867884.db2.gz QIYYHBATKZTOJC-UHFFFAOYSA-N 0 3 362.481 2.011 40 0 FEABHN COc1ccccc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329034276 553868367 /nfs/dbraw/zinc/86/83/67/553868367.db2.gz QXAXMHWCGPQFDG-UHFFFAOYSA-N 0 3 355.364 2.065 40 0 FEABHN OCCOc1cccc(CN2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273579 570486401 /nfs/dbraw/zinc/48/64/01/570486401.db2.gz WTHJXIZZULTIDM-OAQYLSRUSA-N 0 3 357.450 2.464 40 0 FEABHN O=C1C[C@]2(CN1Cc1cncs1)COCCN(Cc1ccccc1)C2 ZINC000585103595 571222489 /nfs/dbraw/zinc/22/24/89/571222489.db2.gz DZCNLGHXCBYCQJ-IBGZPJMESA-N 0 3 357.479 2.394 40 0 FEABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3ccc(OCCO)cc3)C[C@@H]21 ZINC000019237720 539653077 /nfs/dbraw/zinc/65/30/77/539653077.db2.gz SHYHTGWBMRESFK-KAGYGMCKSA-N 0 3 368.477 2.491 40 0 FEABHN CC(C)(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)[nH]n1 ZINC000019083633 539651323 /nfs/dbraw/zinc/65/13/23/539651323.db2.gz RYEVLMQJQZMDCV-HNNXBMFYSA-N 0 3 354.458 2.120 40 0 FEABHN C[C@H](Cn1cncn1)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000019457894 539657340 /nfs/dbraw/zinc/65/73/40/539657340.db2.gz VKJRNOFFDNXVFU-MRXNPFEDSA-N 0 3 357.458 2.418 40 0 FEABHN Cc1cccc(CC(=O)N2CCc3nc([C@@H]4CCN(C)C4)ncc3C2)c1 ZINC000019234803 539653698 /nfs/dbraw/zinc/65/36/98/539653698.db2.gz PDAJDLSDIUSNKP-QGZVFWFLSA-N 0 3 350.466 2.332 40 0 FEABHN COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1F ZINC000019559585 539660741 /nfs/dbraw/zinc/66/07/41/539660741.db2.gz XMCRZPCXUDUIPG-KRWDZBQOSA-N 0 3 370.428 2.176 40 0 FEABHN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019569620 539660975 /nfs/dbraw/zinc/66/09/75/539660975.db2.gz WGFDXELJAYFBPG-GOSISDBHSA-N 0 3 366.465 2.427 40 0 FEABHN COc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590458 539663457 /nfs/dbraw/zinc/66/34/57/539663457.db2.gz RRAKVSHTBYMRAG-OAHLLOKOSA-N 0 3 366.465 2.493 40 0 FEABHN CC(C)N1CCC[C@H]1c1nc(-c2ccc(N3CCN(C)CC3)nc2)no1 ZINC000049155151 540382909 /nfs/dbraw/zinc/38/29/09/540382909.db2.gz JHERNLJAHCIYCZ-INIZCTEOSA-N 0 3 356.474 2.429 40 0 biogenic,in-vitro FEABHN Cn1ccnc1C(=O)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355221 541801533 /nfs/dbraw/zinc/80/15/33/541801533.db2.gz LPJYVWFLZDIRFN-KRWDZBQOSA-N 0 3 367.497 2.374 40 0 FEABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000072397261 541804666 /nfs/dbraw/zinc/80/46/66/541804666.db2.gz KWAUXDRUIIMFQG-FUHWJXTLSA-N 0 3 371.529 2.093 40 0 FEABHN COc1ccccc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000108527153 206033285 /nfs/dbraw/zinc/03/32/85/206033285.db2.gz VPUKUQHTCFVQTI-QGZVFWFLSA-N 0 3 361.486 2.480 40 0 FEABHN CC[NH+](CC)C[C@H]1CN2CC[C@H]1C[C@@H]2C[N-]S(=O)(=O)c1cccs1 ZINC000012602251 206292961 /nfs/dbraw/zinc/29/29/61/206292961.db2.gz CVKVIGHCPLGABW-HRCADAONSA-N 0 3 371.572 2.079 40 0 biogenic,in-vitro FEABHN CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019445983 206326458 /nfs/dbraw/zinc/32/64/58/206326458.db2.gz SGHTVXWIEUDLII-ZWKOTPCHSA-N 0 3 362.522 2.109 40 0 FEABHN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@@H]3C2)cc1 ZINC000022585570 206379784 /nfs/dbraw/zinc/37/97/84/206379784.db2.gz FBUWYWUKHYXXSO-SJLPKXTDSA-N 0 3 370.501 2.306 40 0 FEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218458583 206369870 /nfs/dbraw/zinc/36/98/70/206369870.db2.gz OVMFRLTZNCIPHT-AABGKKOBSA-N 0 3 359.491 2.435 40 0 FEABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218410435 206370468 /nfs/dbraw/zinc/37/04/68/206370468.db2.gz WFMPCWCTXNIOTK-OALUTQOASA-N 0 3 358.507 2.401 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)C1=CCCCC1)C2 ZINC000096039587 542988150 /nfs/dbraw/zinc/98/81/50/542988150.db2.gz LENVXRIJQVSSEP-UYAOXDASSA-N 0 3 350.503 2.463 40 0 FEABHN CN(C)C(=O)COC[C@@H]1CC2(CO1)CCN(Cc1cccs1)CC2 ZINC000096105942 542990992 /nfs/dbraw/zinc/99/09/92/542990992.db2.gz IQUQUBNNAPGKIS-HNNXBMFYSA-N 0 3 352.500 2.224 40 0 FEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CC(=O)NCc3cccnc3)C2)o1 ZINC000096206409 542995076 /nfs/dbraw/zinc/99/50/76/542995076.db2.gz GMVHFGMLFDBQTG-XLIONFOSSA-N 0 3 355.438 2.138 40 0 FEABHN CN(C)S(=O)(=O)N1CCC2(CC1)CN(CC1CC1)Cc1ccccc12 ZINC000096242517 542997001 /nfs/dbraw/zinc/99/70/01/542997001.db2.gz IYUIJBVFHIMWSF-UHFFFAOYSA-N 0 3 363.527 2.052 40 0 FEABHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000096043375 542989439 /nfs/dbraw/zinc/98/94/39/542989439.db2.gz SOGYVGLKNTVOBM-CEXWTWQISA-N 0 3 355.438 2.218 40 0 FEABHN COc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cc1 ZINC000096058295 542989886 /nfs/dbraw/zinc/98/98/86/542989886.db2.gz CNKCXXUOJHTIIA-HSALFYBXSA-N 0 3 374.481 2.476 40 0 FEABHN COc1ccc(CN2CCOC[C@]3(CCN(Cc4nccn4C)C3)C2)cc1 ZINC000096062359 542990201 /nfs/dbraw/zinc/99/02/01/542990201.db2.gz TWAQGVYWUZDTHJ-NRFANRHFSA-N 0 3 370.497 2.153 40 0 FEABHN O=C(NC[C@H]1Cn2nccc2CN(CC2CCCC2)C1)c1cccnc1 ZINC000247495901 549344816 /nfs/dbraw/zinc/34/48/16/549344816.db2.gz OCKZYYXEYDHKBA-QGZVFWFLSA-N 0 3 353.470 2.330 40 0 FEABHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCCOCC2)CC1 ZINC000183500099 547671361 /nfs/dbraw/zinc/67/13/61/547671361.db2.gz AHYJPVJLUPEHLE-FQEVSTJZSA-N 0 3 374.529 2.192 40 0 FEABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cccn3C)C2)OC1 ZINC000248140394 549410645 /nfs/dbraw/zinc/41/06/45/549410645.db2.gz TZGUJIBDBYEYHV-GOSISDBHSA-N 0 3 368.481 2.173 40 0 FEABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 ZINC000252514137 549671819 /nfs/dbraw/zinc/67/18/19/549671819.db2.gz BJVJTQCRRMOEPG-IKGGRYGDSA-N 0 3 350.871 2.244 40 0 FEABHN O=C(Cc1ccccc1F)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257230213 549719722 /nfs/dbraw/zinc/71/97/22/549719722.db2.gz GBIHCOHFGDJSCC-QGZVFWFLSA-N 0 3 356.388 2.063 40 0 FEABHN CNC(=O)[C@@H]1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 ZINC000257254022 549722187 /nfs/dbraw/zinc/72/21/87/549722187.db2.gz KBGLZRLHBSTUKK-QGZVFWFLSA-N 0 3 366.465 2.018 40 0 FEABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(c3cc(C)nc4ncnn43)C2)C1 ZINC000306124913 553748664 /nfs/dbraw/zinc/74/86/64/553748664.db2.gz CCAJFMOGPVMKEG-KRWDZBQOSA-N 0 3 370.501 2.150 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 ZINC000306130686 553748712 /nfs/dbraw/zinc/74/87/12/553748712.db2.gz JMZQAQAPNAAYFM-UHFFFAOYSA-N 0 3 369.469 2.382 40 0 FEABHN Cc1ccc(CN2C[C@@H](c3ccnn3C(C)C)[C@]3(C2)OCCNC3=O)cc1 ZINC000306127385 553748981 /nfs/dbraw/zinc/74/89/81/553748981.db2.gz FXHIXNCQFKPSSU-RXVVDRJESA-N 0 3 368.481 2.257 40 0 FEABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 ZINC000306131287 553749217 /nfs/dbraw/zinc/74/92/17/553749217.db2.gz KACHRHUNFZZSJJ-UHFFFAOYSA-N 0 3 357.458 2.240 40 0 FEABHN Cc1cccc(CNc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c1 ZINC000329005197 553862501 /nfs/dbraw/zinc/86/25/01/553862501.db2.gz KWRRYNKISPCWFC-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN COc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3CN2Cc2ccccc2)cc1 ZINC000409430679 558690698 /nfs/dbraw/zinc/69/06/98/558690698.db2.gz MWHUUMNAGNNBKH-GBESFXJTSA-N 0 3 350.418 2.483 40 0 FEABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(C)=O)n(C)n2)cc1 ZINC000008635376 560210178 /nfs/dbraw/zinc/21/01/78/560210178.db2.gz JCRVYTQMEJTZEB-SCTDSRPQSA-N 0 3 368.481 2.410 40 0 biogenic,in-vitro FEABHN OC1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCC1 ZINC000585283048 570493065 /nfs/dbraw/zinc/49/30/65/570493065.db2.gz PADUXZZIHGRLAS-SFHVURJKSA-N 0 3 355.862 2.087 40 0 FEABHN O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCOCC2)C1 ZINC000585282703 570493097 /nfs/dbraw/zinc/49/30/97/570493097.db2.gz NAGAIMVZZFJXRF-QGZVFWFLSA-N 0 3 359.825 2.100 40 0 FEABHN OC1(CN2CCOC[C@](O)(COc3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000585284707 570494229 /nfs/dbraw/zinc/49/42/29/570494229.db2.gz ZBPUQBXUBCOPAQ-SFHVURJKSA-N 0 3 373.852 2.226 40 0 FEABHN COc1ccc(OC)c(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)c1 ZINC000585294425 570497817 /nfs/dbraw/zinc/49/78/17/570497817.db2.gz FDLOYUHTOWWUGT-SFHLNBCPSA-N 0 3 357.450 2.333 40 0 FEABHN Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NCc2cccnc2)C1 ZINC000503844437 570638001 /nfs/dbraw/zinc/63/80/01/570638001.db2.gz WGLWXJAFGZPALI-ICSRJNTNSA-N 0 3 353.470 2.124 40 0 FEABHN O=C(c1ccccc1)N1CCC2(CO[C@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585103473 571223524 /nfs/dbraw/zinc/22/35/24/571223524.db2.gz GQQNMEYXRSGOGW-MOPGFXCFSA-N 0 3 358.482 2.155 40 0 FEABHN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN3CC[C@H](O)C3)C2)CC1 ZINC000585104801 571224226 /nfs/dbraw/zinc/22/42/26/571224226.db2.gz SXCSDAYVAQCTNP-RBUKOAKNSA-N 0 3 372.509 2.327 40 0 FEABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3CCC(C)C)C2)c1 ZINC000585107986 571225016 /nfs/dbraw/zinc/22/50/16/571225016.db2.gz QHMAYYIEARWFPT-MAUKXSAKSA-N 0 3 352.500 2.436 40 0 FEABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2cccnc2)CC3)Nc2ccccc21 ZINC000012085519 539543024 /nfs/dbraw/zinc/54/30/24/539543024.db2.gz HZJXRPBOLHAKJQ-NRFANRHFSA-N 0 3 364.449 2.388 40 0 FEABHN C[C@@H]1CCc2c(sc3ncn4c(=O)n(CCN5CCCC5)nc4c23)C1 ZINC000012145252 539546761 /nfs/dbraw/zinc/54/67/61/539546761.db2.gz UPSOATWTRYHABU-GFCCVEGCSA-N 0 3 357.483 2.326 40 0 FEABHN Cc1onc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)c1Cn1cccn1 ZINC000012203326 539549410 /nfs/dbraw/zinc/54/94/10/539549410.db2.gz MLUFPUGXRQLXHB-AWEZNQCLSA-N 0 3 359.474 2.468 40 0 FEABHN O=C([C@@H]1OCCc2ccccc21)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019375460 539656410 /nfs/dbraw/zinc/65/64/10/539656410.db2.gz HMSAMJJEWBXTRA-RBUKOAKNSA-N 0 3 364.449 2.100 40 0 FEABHN CC(C)Cc1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)[nH]n1 ZINC000019447423 539657568 /nfs/dbraw/zinc/65/75/68/539657568.db2.gz HOZXYXSIEDWXNF-MRXNPFEDSA-N 0 3 354.458 2.021 40 0 FEABHN CCC(CC)C(=O)N1CC[C@H](c2nn(CCN(C)C)c3nccnc23)C1 ZINC000019500072 539658841 /nfs/dbraw/zinc/65/88/41/539658841.db2.gz CUZCHXHKLBVRCC-HNNXBMFYSA-N 0 3 358.490 2.140 40 0 FEABHN CCCc1cc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)no1 ZINC000019525370 539659840 /nfs/dbraw/zinc/65/98/40/539659840.db2.gz PZQAECUXVMEWFZ-UHFFFAOYSA-N 0 3 369.469 2.425 40 0 FEABHN O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2nnc3n2CCNCC3)C1 ZINC000019709224 539666449 /nfs/dbraw/zinc/66/64/49/539666449.db2.gz MMXKTJCVJKZSLP-OAHLLOKOSA-N 0 3 365.437 2.190 40 0 FEABHN CCc1nccn1[C@@H](C)C(=O)N1CCC(c2cc(CN(C)C)[nH]n2)CC1 ZINC000019708938 539666642 /nfs/dbraw/zinc/66/66/42/539666642.db2.gz HHHDZPJVXSKWIE-AWEZNQCLSA-N 0 3 358.490 2.197 40 0 FEABHN CC(=O)N1CCOC[C@@]2(CC[C@@H](CNCc3ccc4ccccc4n3)O2)C1 ZINC000306137865 203790846 /nfs/dbraw/zinc/79/08/46/203790846.db2.gz RIODOFNKROMGRB-PZJWPPBQSA-N 0 3 369.465 2.121 40 0 FEABHN O=C(CNC[C@H]1CCCO1)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000035311538 204238511 /nfs/dbraw/zinc/23/85/11/204238511.db2.gz SVAQAHMMZWLQEG-GOSISDBHSA-N 0 3 359.470 2.410 40 0 FEABHN Cn1cc(S(=O)(=O)N[C@H](CCN2CCCCC2)c2ccccc2)cn1 ZINC000019716045 204702608 /nfs/dbraw/zinc/70/26/08/204702608.db2.gz SDGRTAQJZGMSSI-GOSISDBHSA-N 0 3 362.499 2.316 40 0 FEABHN Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)NCCN(C)C ZINC000004847576 206181300 /nfs/dbraw/zinc/18/13/00/206181300.db2.gz JDHJLGWWCHTRDK-MDZDMXLPSA-N 0 3 358.467 2.395 40 0 FEABHN Cc1cccc(CN2C3CCC2c2cnc(N4CCOCC4)nc2C3)n1 ZINC000019236123 136152343 /nfs/dbraw/zinc/15/23/43/136152343.db2.gz AACRGMCAKMVKMM-QFBILLFUSA-N 0 3 351.454 2.278 40 0 FEABHN CCS(=O)(=O)N1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096080781 542991448 /nfs/dbraw/zinc/99/14/48/542991448.db2.gz LWNVEVLPLKQOKF-OKILXGFUSA-N 0 3 362.417 2.419 40 0 FEABHN Cn1cccc1CN1CC[C@@]2(C1)CCCN(C(=O)Cc1cccnc1)C2 ZINC000096158211 542994069 /nfs/dbraw/zinc/99/40/69/542994069.db2.gz QPMFNQKUSYWGBM-OAQYLSRUSA-N 0 3 352.482 2.477 40 0 FEABHN O=C(c1ccnnc1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216344 542996005 /nfs/dbraw/zinc/99/60/05/542996005.db2.gz KFGMWGQAQPNWRK-NRFANRHFSA-N 0 3 366.465 2.484 40 0 FEABHN COCC(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccccc3F)C2)O1 ZINC000096207267 542996092 /nfs/dbraw/zinc/99/60/92/542996092.db2.gz ZJWXVTYPDWPUBW-VQIMIIECSA-N 0 3 350.434 2.102 40 0 FEABHN O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1cccc(F)c1)C2 ZINC000096219533 542996434 /nfs/dbraw/zinc/99/64/34/542996434.db2.gz ODNZFMMQNZRVJR-OXQOHEQNSA-N 0 3 355.413 2.238 40 0 FEABHN O=C(C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCc1cccnc1 ZINC000096208215 542996515 /nfs/dbraw/zinc/99/65/15/542996515.db2.gz ASAORKIWBLLBBR-OKZBNKHCSA-N 0 3 357.479 2.439 40 0 FEABHN CN1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O ZINC000096263479 542998072 /nfs/dbraw/zinc/99/80/72/542998072.db2.gz HYOUJBMUCVIUER-UHFFFAOYSA-N 0 3 350.484 2.192 40 0 FEABHN Cc1nc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)cs1 ZINC000096057930 542989798 /nfs/dbraw/zinc/98/97/98/542989798.db2.gz HYIJUTVEPPQRDT-RCCFBDPRSA-N 0 3 351.516 2.296 40 0 FEABHN Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCC4CCOCC4)C[C@H]32)s1 ZINC000096055587 542989916 /nfs/dbraw/zinc/98/99/16/542989916.db2.gz VAUBNPGZWQWROA-KURKYZTESA-N 0 3 364.511 2.331 40 0 FEABHN CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096055999 542989965 /nfs/dbraw/zinc/98/99/65/542989965.db2.gz SFYJDNHMCLTKMA-YJBOKZPZSA-N 0 3 350.484 2.372 40 0 FEABHN Cc1cc(=O)n2c(n1)NC(=NC[C@@H]1CCCO1)N[C@@H]2c1ccc(Cl)cc1 ZINC000104138169 543124247 /nfs/dbraw/zinc/12/42/47/543124247.db2.gz HOOFKUCFQZTARO-HOCLYGCPSA-N 0 3 373.844 2.302 40 0 FEABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108531070 543292408 /nfs/dbraw/zinc/29/24/08/543292408.db2.gz LSFQFOHLKCPYJP-DOTOQJQBSA-N 0 3 352.429 2.326 40 0 FEABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000242495195 548886756 /nfs/dbraw/zinc/88/67/56/548886756.db2.gz FZAWCYLHPHPMGY-ZACQAIPSSA-N 0 3 369.845 2.356 40 0 FEABHN Cc1ccc(CC(=O)N2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)s1 ZINC000257201672 549716487 /nfs/dbraw/zinc/71/64/87/549716487.db2.gz AINBLGBYMRCEDO-MRXNPFEDSA-N 0 3 358.454 2.294 40 0 FEABHN CNc1cc(C)nc([C@@H]2CN(S(=O)(=O)c3cccs3)CCO2)c1 ZINC000257285715 549724406 /nfs/dbraw/zinc/72/44/06/549724406.db2.gz PILJBNGFKBBOCE-AWEZNQCLSA-N 0 3 353.469 2.255 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306124410 553748239 /nfs/dbraw/zinc/74/82/39/553748239.db2.gz BPEYMVBNGMGNCZ-GJZGRUSLSA-N 0 3 369.444 2.004 40 0 FEABHN CCc1ccccc1CN1CCOC[C@@]2(CC[C@H](CN3CCOCC3)O2)C1 ZINC000306127224 553748873 /nfs/dbraw/zinc/74/88/73/553748873.db2.gz FSFKGVWZJDOYEQ-FGZHOGPDSA-N 0 3 374.525 2.331 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccn3)C[C@@H]1C2 ZINC000306124906 553748907 /nfs/dbraw/zinc/74/89/07/553748907.db2.gz CBYLNNKMCSGWQL-HOTGVXAUSA-N 0 3 374.448 2.230 40 0 FEABHN Cn1cnc([C@@H]2CN(Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136017 553750292 /nfs/dbraw/zinc/75/02/92/553750292.db2.gz PGTAOGKHBYFQAV-FXAWDEMLSA-N 0 3 354.454 2.241 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2F)cc(-c2cccnc2)n1 ZINC000329012085 553864428 /nfs/dbraw/zinc/86/44/28/553864428.db2.gz MIVYINJWBFJCAO-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN Cc1cc(OC[C@]2(O)COCCN(CC3(O)CCCCC3)C2)ccc1F ZINC000585282023 570492528 /nfs/dbraw/zinc/49/25/28/570492528.db2.gz FXTUJLAXOWTBGT-HXUWFJFHSA-N 0 3 367.461 2.271 40 0 FEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCCC1 ZINC000585282614 570493130 /nfs/dbraw/zinc/49/31/30/570493130.db2.gz LSZMBZLVCGDSOG-LJQANCHMSA-N 0 3 369.889 2.477 40 0 FEABHN OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCCCCC1 ZINC000585285116 570494101 /nfs/dbraw/zinc/49/41/01/570494101.db2.gz CNZHSHGZVGYPGD-HXUWFJFHSA-N 0 3 367.461 2.353 40 0 FEABHN CC1CC(C(=O)N2CCC[C@@]3(CCN(CC4CCN(C)CC4)C3=O)C2)C1 ZINC000585100919 571222515 /nfs/dbraw/zinc/22/25/15/571222515.db2.gz GBPAKHKFOHNFLV-QYGXFBIXSA-N 0 3 361.530 2.215 40 0 FEABHN O=C(c1ccccc1)N1CCC2(CO[C@@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585103477 571223484 /nfs/dbraw/zinc/22/34/84/571223484.db2.gz GQQNMEYXRSGOGW-RBUKOAKNSA-N 0 3 358.482 2.155 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585105158 571224319 /nfs/dbraw/zinc/22/43/19/571224319.db2.gz ZTMWIZONVWKJIH-UXHICEINSA-N 0 3 372.509 2.463 40 0 FEABHN Cc1c(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cnn1C ZINC000012086110 539543081 /nfs/dbraw/zinc/54/30/81/539543081.db2.gz NTWVGHJEIHBXEM-UHFFFAOYSA-N 0 3 350.470 2.209 40 0 FEABHN COc1cccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012292522 539551940 /nfs/dbraw/zinc/55/19/40/539551940.db2.gz QSFGKCLXUWABLL-SFHVURJKSA-N 0 3 371.433 2.441 40 0 FEABHN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cccc(F)c1F)CC2 ZINC000019292758 539655483 /nfs/dbraw/zinc/65/54/83/539655483.db2.gz INMUZGGRQRUUDJ-UHFFFAOYSA-N 0 3 360.408 2.249 40 0 FEABHN CCOc1ccccc1C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019520125 539658471 /nfs/dbraw/zinc/65/84/71/539658471.db2.gz YNQXSUSEXOVRRJ-KRWDZBQOSA-N 0 3 352.438 2.498 40 0 FEABHN O=C(COc1ccccc1F)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019350179 539656105 /nfs/dbraw/zinc/65/61/05/539656105.db2.gz BKYKIUXZPFGWPK-UHFFFAOYSA-N 0 3 370.428 2.046 40 0 FEABHN COc1ccc(OC)c(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019551645 539659398 /nfs/dbraw/zinc/65/93/98/539659398.db2.gz QDIXTQZYMBHEQW-SFHVURJKSA-N 0 3 354.454 2.477 40 0 FEABHN CCOc1cc2c(cc1CN1CC[C@H](c3cc(=O)[nH]c(C)n3)C1)OCO2 ZINC000019532431 539659797 /nfs/dbraw/zinc/65/97/97/539659797.db2.gz VIQMGZUTPQLLEN-ZDUSSCGKSA-N 0 3 357.410 2.195 40 0 FEABHN CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019585037 539662328 /nfs/dbraw/zinc/66/23/28/539662328.db2.gz AWOBJCHRUNJUQG-GOSISDBHSA-N 0 3 351.454 2.166 40 0 FEABHN COCCOc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019593730 539663152 /nfs/dbraw/zinc/66/31/52/539663152.db2.gz YHBFCZGJVZQSIN-HXUWFJFHSA-N 0 3 368.481 2.485 40 0 FEABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(CCc2ccccc2)CC3)C1 ZINC000019709529 539666508 /nfs/dbraw/zinc/66/65/08/539666508.db2.gz PNMIBIIPFXHQAQ-LJQANCHMSA-N 0 3 367.497 2.105 40 0 FEABHN COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)n1 ZINC000019594320 539663550 /nfs/dbraw/zinc/66/35/50/539663550.db2.gz ACESBYBCWNQSTQ-HNNXBMFYSA-N 0 3 373.453 2.313 40 0 FEABHN O=C(NCCN1CCOCC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000030944344 539894470 /nfs/dbraw/zinc/89/44/70/539894470.db2.gz NSPJBTQZJSTGNM-KRWDZBQOSA-N 0 3 365.905 2.000 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccncc2)n1 ZINC000329037608 203848421 /nfs/dbraw/zinc/84/84/21/203848421.db2.gz RPIZRZZDUCEBFI-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2nnc3n2CCNCC3)cc1 ZINC000019706389 204700388 /nfs/dbraw/zinc/70/03/88/204700388.db2.gz MMADFELJYYZXTL-KRWDZBQOSA-N 0 3 367.497 2.374 40 0 FEABHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](C)[C@H](O)c2ccc(O)cc2)c1 ZINC000040162336 205062118 /nfs/dbraw/zinc/06/21/18/205062118.db2.gz LHMBBLYSXFOQBR-MJWYBRSISA-N 0 3 359.422 2.046 40 0 FEABHN Cc1ncc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)cn1 ZINC000108526224 206032679 /nfs/dbraw/zinc/03/26/79/206032679.db2.gz UUAKZWFJHFAATR-QGZVFWFLSA-N 0 3 354.458 2.201 40 0 FEABHN Cn1cc(CN2CC[C@@]3(CCC[C@@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 ZINC000108530914 206034495 /nfs/dbraw/zinc/03/44/95/206034495.db2.gz GCZKBJSZAQCUAL-WBVHZDCISA-N 0 3 352.429 2.326 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218479223 206370782 /nfs/dbraw/zinc/37/07/82/206370782.db2.gz HQWCVMQDADPXSM-HBFSDRIKSA-N 0 3 373.474 2.443 40 0 FEABHN C[C@@H](CNC(=O)CN1C(=O)COc2c(Cl)cccc21)N1CCCCC1 ZINC000072390303 136144843 /nfs/dbraw/zinc/14/48/43/136144843.db2.gz YTDSIMNNTIKVIH-ZDUSSCGKSA-N 0 3 365.861 2.056 40 0 FEABHN CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000096183053 542995314 /nfs/dbraw/zinc/99/53/14/542995314.db2.gz ZMYHCXLDAQKRPN-NZSAHSFTSA-N 0 3 351.454 2.244 40 0 FEABHN CCC(CC)CN1CC[C@@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 ZINC000096225992 542995831 /nfs/dbraw/zinc/99/58/31/542995831.db2.gz MNKWUTRMGVDYOY-LJQANCHMSA-N 0 3 359.474 2.058 40 0 FEABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(CC(=O)NCc2ccco2)C1 ZINC000096207435 542995945 /nfs/dbraw/zinc/99/59/45/542995945.db2.gz IDLAXQQBMOBMSO-BEFAXECRSA-N 0 3 359.426 2.039 40 0 FEABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096245436 542996916 /nfs/dbraw/zinc/99/69/16/542996916.db2.gz PFPYAXNDXHVZTL-HUUCEWRRSA-N 0 3 350.846 2.183 40 0 FEABHN COCCN1CCc2cc(C(=O)NC(C)C)c(NCC3CC3)nc2CC1 ZINC000096260600 542997943 /nfs/dbraw/zinc/99/79/43/542997943.db2.gz KQZCMQIZLPYDAB-UHFFFAOYSA-N 0 3 360.502 2.089 40 0 FEABHN COc1ncccc1CN1CC[C@]2(CCN(Cc3ccccn3)C2=O)C1 ZINC000096063214 542990295 /nfs/dbraw/zinc/99/02/95/542990295.db2.gz WXGBOHMTLWIAMZ-FQEVSTJZSA-N 0 3 352.438 2.110 40 0 FEABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(F)c1 ZINC000242547843 548886651 /nfs/dbraw/zinc/88/66/51/548886651.db2.gz KVNGUSYHLWIQQR-OAGGEKHMSA-N 0 3 354.834 2.075 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)CN)cc1 ZINC000242522183 548886933 /nfs/dbraw/zinc/88/69/33/548886933.db2.gz IKTCSXCRBBOLAE-GVDBMIGSSA-N 0 3 350.871 2.244 40 0 FEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 ZINC000252515939 549672275 /nfs/dbraw/zinc/67/22/75/549672275.db2.gz OVMFRLTZNCIPHT-HSALFYBXSA-N 0 3 359.491 2.435 40 0 FEABHN CCn1nc(C(=O)N2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cc1C ZINC000257204815 549718136 /nfs/dbraw/zinc/71/81/36/549718136.db2.gz AWJVPDWLULVNBF-GOSISDBHSA-N 0 3 357.458 2.195 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)CC1 ZINC000257268149 549723133 /nfs/dbraw/zinc/72/31/33/549723133.db2.gz MKLIOWOSAYQRBE-SAABIXHNSA-N 0 3 372.513 2.376 40 0 FEABHN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2cccnc2)C1 ZINC000257279192 549724340 /nfs/dbraw/zinc/72/43/40/549724340.db2.gz OFLRLDHHIVJJHQ-INIZCTEOSA-N 0 3 364.453 2.206 40 0 FEABHN O=C(Cc1ccc(F)cc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257338585 549728995 /nfs/dbraw/zinc/72/89/95/549728995.db2.gz YYBQYOQGSKZYNE-KRWDZBQOSA-N 0 3 356.388 2.063 40 0 FEABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)ccc1C ZINC000260805343 549729656 /nfs/dbraw/zinc/72/96/56/549729656.db2.gz AYXXXLAJIDZWNM-AWEZNQCLSA-N 0 3 368.499 2.182 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306138110 553750262 /nfs/dbraw/zinc/75/02/62/553750262.db2.gz RPMBZDNEXBKSIX-UONOGXRCSA-N 0 3 371.872 2.128 40 0 FEABHN CC(=O)N1CCOC[C@@]2(CC[C@H](CNCc3ccc4ccccc4n3)O2)C1 ZINC000306137866 553750453 /nfs/dbraw/zinc/75/04/53/553750453.db2.gz RIODOFNKROMGRB-TZIWHRDSSA-N 0 3 369.465 2.121 40 0 FEABHN Cc1cc(C)c(C)c(OC[C@@]2(O)CN(CC3(O)CCCC3)CC[C@@H]2O)c1 ZINC000585285983 570494589 /nfs/dbraw/zinc/49/45/89/570494589.db2.gz GDIVKZJVEZRDHH-FPOVZHCZSA-N 0 3 363.498 2.093 40 0 FEABHN CN(C)C/C=C/C(=O)N1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000585289973 570495615 /nfs/dbraw/zinc/49/56/15/570495615.db2.gz OYUJEUOZQGVEHI-VDUMAWNISA-N 0 3 358.482 2.471 40 0 FEABHN Cc1cccc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585105137 571224439 /nfs/dbraw/zinc/22/44/39/571224439.db2.gz ZEHCNKDCUHXQEF-PMACEKPBSA-N 0 3 372.509 2.463 40 0 FEABHN CC(=O)c1cnc2cc(C(=O)NC(C)(C)CN3CCC[C@H](C)C3)nn2c1C ZINC000012203236 539549502 /nfs/dbraw/zinc/54/95/02/539549502.db2.gz XISQOETWQYWZMP-ZDUSSCGKSA-N 0 3 371.485 2.481 40 0 FEABHN COc1ccc(C)cc1CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019133074 539652212 /nfs/dbraw/zinc/65/22/12/539652212.db2.gz HTLAENYFZFEDTI-SFHVURJKSA-N 0 3 366.465 2.346 40 0 FEABHN COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc(OC)c1 ZINC000019286343 539653276 /nfs/dbraw/zinc/65/32/76/539653276.db2.gz GEXWLRHUDWLCIZ-CABCVRRESA-N 0 3 355.438 2.227 40 0 FEABHN COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc(OC)c1 ZINC000019286343 539653280 /nfs/dbraw/zinc/65/32/80/539653280.db2.gz GEXWLRHUDWLCIZ-CABCVRRESA-N 0 3 355.438 2.227 40 0 FEABHN CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC(O)CC2)C1 ZINC000019016949 539650315 /nfs/dbraw/zinc/65/03/15/539650315.db2.gz FDJFTGJDCXGSTJ-OAHLLOKOSA-N 0 3 356.470 2.246 40 0 FEABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[n-]c2=O)C1 ZINC000019448329 539657122 /nfs/dbraw/zinc/65/71/22/539657122.db2.gz VYFGTIMVUNXKLZ-KRWDZBQOSA-N 0 3 358.486 2.390 40 0 FEABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCC3)[n-]c2=O)C1 ZINC000019448329 539657126 /nfs/dbraw/zinc/65/71/26/539657126.db2.gz VYFGTIMVUNXKLZ-KRWDZBQOSA-N 0 3 358.486 2.390 40 0 FEABHN CC(C)c1cc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)[nH]n1 ZINC000019451825 539657200 /nfs/dbraw/zinc/65/72/00/539657200.db2.gz KFDXGUBGENMYCX-KRWDZBQOSA-N 0 3 354.458 2.288 40 0 FEABHN COc1ccccc1CN1CCC[C@H](Cn2nnc(-c3cnccn3)n2)C1 ZINC000019570425 539660755 /nfs/dbraw/zinc/66/07/55/539660755.db2.gz BEHMYMYHXSXSHC-HNNXBMFYSA-N 0 3 365.441 2.051 40 0 FEABHN Cc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019579997 539661696 /nfs/dbraw/zinc/66/16/96/539661696.db2.gz CWFNOJGUZQFMJW-AWEZNQCLSA-N 0 3 355.442 2.089 40 0 FEABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2cccc(C)c2)CC3)C1 ZINC000019709457 539666215 /nfs/dbraw/zinc/66/62/15/539666215.db2.gz ZMZNEUMJBABRBX-LJQANCHMSA-N 0 3 367.497 2.371 40 0 FEABHN CN1CCC(c2nnc3n2CCN(C(=O)CCc2ccccc2)CC3)CC1 ZINC000019708891 539666702 /nfs/dbraw/zinc/66/67/02/539666702.db2.gz UOFQFGIQKCOBBY-UHFFFAOYSA-N 0 3 367.497 2.105 40 0 FEABHN Cc1nc(N2CCOCC2)sc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000019657525 539664660 /nfs/dbraw/zinc/66/46/60/539664660.db2.gz GQOBYLNPDZMKPY-UHFFFAOYSA-N 0 3 366.531 2.282 40 0 FEABHN CC(=O)N1CCN(c2cc(C)nc([C@H]3CCCN3C(=O)C(C)C)c2)CC1 ZINC000019698133 539664932 /nfs/dbraw/zinc/66/49/32/539664932.db2.gz YGURCBRXCGFRBC-LJQANCHMSA-N 0 3 358.486 2.378 40 0 FEABHN CC(C)N1CCc2c(nc(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)[nH]c2=O)C1 ZINC000072398715 541805060 /nfs/dbraw/zinc/80/50/60/541805060.db2.gz NEMHGDKGTPQETL-CJNGLKHVSA-N 0 3 358.486 2.311 40 0 FEABHN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000072379221 541803069 /nfs/dbraw/zinc/80/30/69/541803069.db2.gz ROKVBQFROGYTBZ-KRWDZBQOSA-N 0 3 353.470 2.378 40 0 FEABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218620388 206371579 /nfs/dbraw/zinc/37/15/79/206371579.db2.gz BJVJTQCRRMOEPG-BRWVUGGUSA-N 0 3 350.871 2.244 40 0 FEABHN NCC1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218389239 206369737 /nfs/dbraw/zinc/36/97/37/206369737.db2.gz QIZZQDQJMCKMSM-JKSUJKDBSA-N 0 3 350.871 2.184 40 0 FEABHN NCC1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218391761 206370137 /nfs/dbraw/zinc/37/01/37/206370137.db2.gz GURRKONCLLDPSU-HOTGVXAUSA-N 0 3 350.871 2.184 40 0 FEABHN NC[C@@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218432527 206370631 /nfs/dbraw/zinc/37/06/31/206370631.db2.gz SIKQPQOTOFKFHB-YESZJQIVSA-N 0 3 351.855 2.217 40 0 FEABHN NC[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218432621 206370692 /nfs/dbraw/zinc/37/06/92/206370692.db2.gz SIKQPQOTOFKFHB-ULQDDVLXSA-N 0 3 351.855 2.217 40 0 FEABHN Cn1cc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)cn1 ZINC000096040178 542987880 /nfs/dbraw/zinc/98/78/80/542987880.db2.gz DYNHYPXGSFAQGI-WOJBJXKFSA-N 0 3 356.470 2.403 40 0 FEABHN Cc1cccc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)n1 ZINC000096048788 542989011 /nfs/dbraw/zinc/98/90/11/542989011.db2.gz OJXCPVWLXPCLGI-FQEVSTJZSA-N 0 3 353.470 2.138 40 0 FEABHN CN(C)C(=O)COC[C@H]1CC2(CO1)CCN(Cc1cccs1)CC2 ZINC000096105943 542991368 /nfs/dbraw/zinc/99/13/68/542991368.db2.gz IQUQUBNNAPGKIS-OAHLLOKOSA-N 0 3 352.500 2.224 40 0 FEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)c3ccccc3)C2)n1 ZINC000096108499 542991981 /nfs/dbraw/zinc/99/19/81/542991981.db2.gz MLPWBQRUEHEDGP-NQIIRXRSSA-N 0 3 351.450 2.268 40 0 FEABHN COc1ccc(CN2CCC3(CCN(c4cnn(C)c4)C3=O)CC2)cc1 ZINC000096157954 542994291 /nfs/dbraw/zinc/99/42/91/542994291.db2.gz FBZNZBMHIYMMHX-UHFFFAOYSA-N 0 3 354.454 2.448 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccnc1)C2)NCc1cccs1 ZINC000096205921 542995428 /nfs/dbraw/zinc/99/54/28/542995428.db2.gz KVOXTJYKZQNQLY-APWZRJJASA-N 0 3 357.479 2.298 40 0 FEABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245439 542997305 /nfs/dbraw/zinc/99/73/05/542997305.db2.gz YTPNYQLNUVYSTH-HUUCEWRRSA-N 0 3 350.846 2.183 40 0 FEABHN COCCN1CCc2cc(C(=O)NCC3CC3)c(NCC(C)C)nc2CC1 ZINC000096260537 542997820 /nfs/dbraw/zinc/99/78/20/542997820.db2.gz PGTYIYSPBUQUGI-UHFFFAOYSA-N 0 3 374.529 2.336 40 0 FEABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1C ZINC000222990003 548714479 /nfs/dbraw/zinc/71/44/79/548714479.db2.gz FPDMNMGBPCMPKM-UHFFFAOYSA-N 0 3 368.499 2.182 40 0 FEABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3ccccn3)C2)OC1 ZINC000248131778 549409619 /nfs/dbraw/zinc/40/96/19/549409619.db2.gz QNRAPPAWPPYDTJ-SFHVURJKSA-N 0 3 366.465 2.230 40 0 FEABHN COc1cccc2c1OC(C)(C)[C@H]1CC3(CN(CCC(N)=O)C3)CO[C@H]21 ZINC000257217015 549718915 /nfs/dbraw/zinc/71/89/15/549718915.db2.gz CXCURKCADOHLDC-WMLDXEAASA-N 0 3 360.454 2.121 40 0 FEABHN CNc1cncc([C@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 ZINC000257259808 549722176 /nfs/dbraw/zinc/72/21/76/549722176.db2.gz LADAAPLFOKENGJ-QGZVFWFLSA-N 0 3 354.458 2.099 40 0 FEABHN CC(=O)NCc1cccc(-c2cccnc2C(=O)N(C)CCN(C)C)c1 ZINC000257283002 549724260 /nfs/dbraw/zinc/72/42/60/549724260.db2.gz OWHPWIJGOHXSED-UHFFFAOYSA-N 0 3 354.454 2.018 40 0 FEABHN CN(C)Cc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCCN2C)c1 ZINC000257317389 549727957 /nfs/dbraw/zinc/72/79/57/549727957.db2.gz VJOSUKSORMIBCF-QGZVFWFLSA-N 0 3 355.486 2.148 40 0 FEABHN CNCC(=O)NC[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257335763 549728913 /nfs/dbraw/zinc/72/89/13/549728913.db2.gz YLTHDAUKUMUYTQ-XYYCENQHSA-N 0 3 360.498 2.205 40 0 FEABHN Cn1nc(C(=O)N2Cc3ccnn3[C@H](CN3CCCC3)C2)c2ccccc21 ZINC000306128714 553749081 /nfs/dbraw/zinc/74/90/81/553749081.db2.gz HIYMYWICPMMEGO-MRXNPFEDSA-N 0 3 364.453 2.063 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306138111 553750751 /nfs/dbraw/zinc/75/07/51/553750751.db2.gz RPMBZDNEXBKSIX-ZIAGYGMSSA-N 0 3 371.872 2.128 40 0 FEABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 ZINC000306142490 553751158 /nfs/dbraw/zinc/75/11/58/553751158.db2.gz XAPOHTHTIMCNER-UHFFFAOYSA-N 0 3 357.458 2.238 40 0 FEABHN O=C(NC1CCCC1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306144779 553751285 /nfs/dbraw/zinc/75/12/85/553751285.db2.gz ZOJDJVMDLXPIKE-LSDHHAIUSA-N 0 3 371.510 2.316 40 0 FEABHN CN(C)CCNc1nc(NCc2cccc(F)c2)cc(-c2ccccn2)n1 ZINC000328985707 553859076 /nfs/dbraw/zinc/85/90/76/553859076.db2.gz HUJQCDORRWSBHL-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN CCS(=O)(=O)Nc1ccc(C(=O)NCCN2CCCCCC2)cc1 ZINC000408701646 558689062 /nfs/dbraw/zinc/68/90/62/558689062.db2.gz BMYILVAEVZUPMR-UHFFFAOYSA-N 0 3 353.488 2.054 40 0 FEABHN COc1ccc(CN[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)cc1 ZINC000585262393 570481624 /nfs/dbraw/zinc/48/16/24/570481624.db2.gz METXEEGPNWPYSH-UAFMIMERSA-N 0 3 361.413 2.256 40 0 FEABHN CN(C)C/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000585289966 570495445 /nfs/dbraw/zinc/49/54/45/570495445.db2.gz OYUJEUOZQGVEHI-LNTYHFEGSA-N 0 3 358.482 2.471 40 0 FEABHN Cc1cccc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585105138 571224470 /nfs/dbraw/zinc/22/44/70/571224470.db2.gz ZEHCNKDCUHXQEF-UXHICEINSA-N 0 3 372.509 2.463 40 0 FEABHN Cc1cccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019234625 539653456 /nfs/dbraw/zinc/65/34/56/539653456.db2.gz PZPPUCRQOJDJDK-QGZVFWFLSA-N 0 3 350.466 2.332 40 0 FEABHN CN(C(=O)c1cnccn1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586741 539661933 /nfs/dbraw/zinc/66/19/33/539661933.db2.gz LBPJTMKEZGUTLS-UHFFFAOYSA-N 0 3 352.438 2.412 40 0 FEABHN O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710790 539667406 /nfs/dbraw/zinc/66/74/06/539667406.db2.gz NRKGNABZKLQQHU-KRWDZBQOSA-N 0 3 371.460 2.249 40 0 FEABHN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](C(C)C)N[C@]21c2cc(C)ccc2NC1=O ZINC000035877136 539985268 /nfs/dbraw/zinc/98/52/68/539985268.db2.gz ZOXZTVVYASKWLB-CBBYRDHQSA-N 0 3 369.465 2.170 40 0 FEABHN Nc1nccc(C2CCC(CNC(=O)[C@@H](N)Cc3ccc(F)cc3)CC2)n1 ZINC000072380001 541803554 /nfs/dbraw/zinc/80/35/54/541803554.db2.gz BPIHAKZYWIDJBD-DQPZFDDXSA-N 0 3 371.460 2.158 40 0 FEABHN CN(C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)n1 ZINC000329026118 203847711 /nfs/dbraw/zinc/84/77/11/203847711.db2.gz PJVOQYUWPJMRGE-UHFFFAOYSA-N 0 3 351.376 2.332 40 0 FEABHN Cc1nn(C)cc1S(=O)(=O)NCCNc1cc(C)nc2ccc(C)cc21 ZINC000012239352 204443946 /nfs/dbraw/zinc/44/39/46/204443946.db2.gz PTJBZWCYXJUKEN-UHFFFAOYSA-N 0 3 373.482 2.284 40 0 FEABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3cc(C4CC4)on3)ncc2C1 ZINC000019590541 204696830 /nfs/dbraw/zinc/69/68/30/204696830.db2.gz MZRRFYXCSPMXNX-MRXNPFEDSA-N 0 3 353.426 2.307 40 0 FEABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096071757 205816310 /nfs/dbraw/zinc/81/63/10/205816310.db2.gz CLWCDUWOEYPVPK-UHFFFAOYSA-N 0 3 351.454 2.390 40 0 FEABHN COc1ccccc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 ZINC000108524778 206032871 /nfs/dbraw/zinc/03/28/71/206032871.db2.gz ZFFURHBLSRYGBP-UHFFFAOYSA-N 0 3 350.484 2.132 40 0 FEABHN COc1ccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc1 ZINC000073391348 541949332 /nfs/dbraw/zinc/94/93/32/541949332.db2.gz MFAQRALUOKQDAT-OUWQEXSBSA-N 0 3 357.406 2.492 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218588409 206371770 /nfs/dbraw/zinc/37/17/70/206371770.db2.gz LFLHUJWIIGKJIL-DVOMOZLQSA-N 0 3 374.890 2.073 40 0 FEABHN NC[C@]1(CO)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058294 206366802 /nfs/dbraw/zinc/36/68/02/206366802.db2.gz MOCLUVQWQPIJMY-ULQDDVLXSA-N 0 3 351.855 2.217 40 0 FEABHN C[C@H]1CN(c2nccc(CN3CC[C@H](O)[C@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000072348167 136144852 /nfs/dbraw/zinc/14/48/52/136144852.db2.gz KJIXZEHJTYWXJD-FQQAFBJJSA-N 0 3 360.502 2.216 40 0 FEABHN CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(CC2CC2)c2ccccc2O3)CC1 ZINC000096111810 542991744 /nfs/dbraw/zinc/99/17/44/542991744.db2.gz BEZYXVAVKUNSEZ-HKUYNNGSSA-N 0 3 355.482 2.359 40 0 biogenic,in-vitro FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccs1)C2)NCc1cccnc1 ZINC000096205839 542995095 /nfs/dbraw/zinc/99/50/95/542995095.db2.gz DXLKOGOLLSEVLE-APWZRJJASA-N 0 3 357.479 2.298 40 0 FEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)NCc1cccnc1 ZINC000096207423 542996215 /nfs/dbraw/zinc/99/62/15/542996215.db2.gz WWTLRKBPOMMHQG-QRVBRYPASA-N 0 3 355.438 2.218 40 0 FEABHN Cc1noc(C)c1CN1C[C@H]2[C@H](CC[C@@]23N=C(c2ccccc2)NC3=O)C1 ZINC000096261696 542997831 /nfs/dbraw/zinc/99/78/31/542997831.db2.gz RTGIOZXTRLRWCM-PLMTUMEDSA-N 0 3 364.449 2.449 40 0 FEABHN O=C(N[C@H]1CC2(CCN(CCO)CC2)Oc2ccccc21)c1ccc[nH]1 ZINC000096079885 542990131 /nfs/dbraw/zinc/99/01/31/542990131.db2.gz KDXJLHJGYOSELZ-KRWDZBQOSA-N 0 3 355.438 2.095 40 0 FEABHN CC[C@@H](CO)NCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540578 263351911 /nfs/dbraw/zinc/35/19/11/263351911.db2.gz CZNFMKLNZYRYHI-HNNXBMFYSA-N 0 3 361.394 2.380 40 0 FEABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079413226 519816978 /nfs/dbraw/zinc/81/69/78/519816978.db2.gz NQHPWUMSCVOGFT-ROUUACIJSA-N 0 3 361.486 2.477 40 0 FEABHN CC(C)(C)CN1CCC(O)(c2csc(CN3CC[C@@H](O)C3)n2)CC1 ZINC000225422362 548733814 /nfs/dbraw/zinc/73/38/14/548733814.db2.gz UJIIYTZSSVWBLW-CQSZACIVSA-N 0 3 353.532 2.039 40 0 biogenic,in-vitro FEABHN Cc1cc(CN2CC3(C2)CC[C@H](CN(C)Cc2cccnc2)CO3)no1 ZINC000248126915 549408375 /nfs/dbraw/zinc/40/83/75/549408375.db2.gz PAZQXPCEEIBSPJ-GOSISDBHSA-N 0 3 356.470 2.491 40 0 FEABHN NC[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516391 549671982 /nfs/dbraw/zinc/67/19/82/549671982.db2.gz SIKQPQOTOFKFHB-BBWFWOEESA-N 0 3 351.855 2.217 40 0 FEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000257232799 549719565 /nfs/dbraw/zinc/71/95/65/549719565.db2.gz GMLSCSVORLXLSU-IBGZPJMESA-N 0 3 360.433 2.038 40 0 FEABHN C[C@]1(O)CCN(Cc2ccc(OCCO)cc2)C[C@@H]1Oc1ccccc1 ZINC000257270118 549723329 /nfs/dbraw/zinc/72/33/29/549723329.db2.gz MSVYUNJEDPXLKM-SFTDATJTSA-N 0 3 357.450 2.462 40 0 FEABHN Cc1nn(C)c(C)c1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257342245 549728338 /nfs/dbraw/zinc/72/83/38/549728338.db2.gz ZNTHHBFURLVDJD-UHFFFAOYSA-N 0 3 356.518 2.343 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4cccnc4)[C@H]3C2)s1 ZINC000306124264 553748135 /nfs/dbraw/zinc/74/81/35/553748135.db2.gz BKYRUQMBZKQUDK-KBAYOESNSA-N 0 3 357.479 2.328 40 0 FEABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccco2)CC1 ZINC000306136806 553750662 /nfs/dbraw/zinc/75/06/62/553750662.db2.gz QDVWBUHLIMKARX-UHFFFAOYSA-N 0 3 369.469 2.240 40 0 FEABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CO)n(C)n2)cc1OC ZINC000012602748 560213311 /nfs/dbraw/zinc/21/33/11/560213311.db2.gz RKHDRAUKISOHLZ-IMJJTQAJSA-N 0 3 357.454 2.274 40 0 biogenic,in-vitro FEABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)c1 ZINC000585281831 570491657 /nfs/dbraw/zinc/49/16/57/570491657.db2.gz BTWJCJWAHBMXQJ-ROUUACIJSA-N 0 3 355.862 2.004 40 0 FEABHN Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)cc1 ZINC000585284726 570494258 /nfs/dbraw/zinc/49/42/58/570494258.db2.gz ZIOWZGQDNSKIOI-FPOVZHCZSA-N 0 3 363.498 2.257 40 0 FEABHN Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100872 571222283 /nfs/dbraw/zinc/22/22/83/571222283.db2.gz ZWFBBNFLMFOISW-GOSISDBHSA-N 0 3 359.499 2.424 40 0 FEABHN CN(C)C(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008297590 539482301 /nfs/dbraw/zinc/48/23/01/539482301.db2.gz RQODQLZWDGKWKT-QRQLOZEOSA-N 0 3 359.518 2.200 40 0 biogenic,in-vitro FEABHN CC(=O)NCc1cc([C@H]2CCCN2C(=O)CN2CCCCCC2)ccn1 ZINC000257203709 209964453 /nfs/dbraw/zinc/96/44/53/209964453.db2.gz ARHAIKICMWZYCG-LJQANCHMSA-N 0 3 358.486 2.257 40 0 FEABHN COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019564440 539661204 /nfs/dbraw/zinc/66/12/04/539661204.db2.gz HORDJKVFCWSOIU-HNNXBMFYSA-N 0 3 352.438 2.151 40 0 FEABHN COc1ccccc1CN(Cc1cccnc1)C(=O)C1(O)CCN(C)CC1 ZINC000019588027 539662942 /nfs/dbraw/zinc/66/29/42/539662942.db2.gz SIZBGECTKMEKFG-UHFFFAOYSA-N 0 3 369.465 2.076 40 0 FEABHN COC(=O)C1C(CNC2CCCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057721649 540811709 /nfs/dbraw/zinc/81/17/09/540811709.db2.gz ICHCTNHHJDBSAQ-SFHVURJKSA-N 0 3 373.453 2.399 40 0 FEABHN COC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000057721649 540811712 /nfs/dbraw/zinc/81/17/12/540811712.db2.gz ICHCTNHHJDBSAQ-SFHVURJKSA-N 0 3 373.453 2.399 40 0 FEABHN CS(=O)(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 ZINC000108524354 209288873 /nfs/dbraw/zinc/28/88/73/209288873.db2.gz GQWYZJGXFPOVHF-OAHLLOKOSA-N 0 3 372.918 2.403 40 0 FEABHN Cc1nn(C)cc1CN1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532051 209289175 /nfs/dbraw/zinc/28/91/75/209289175.db2.gz RUZRTZXNRVMUPY-NVXWUHKLSA-N 0 3 352.429 2.198 40 0 FEABHN CN(Cc1cc(CC2(NC3CCOCC3)COC2)no1)Cc1ccccc1 ZINC000067898130 541526413 /nfs/dbraw/zinc/52/64/13/541526413.db2.gz IQYOJGLSZLRCRI-UHFFFAOYSA-N 0 3 371.481 2.387 40 0 biogenic,in-vitro FEABHN O=C(c1cc[nH]n1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355189 541801242 /nfs/dbraw/zinc/80/12/42/541801242.db2.gz VXTWOFQIAXICJZ-MRXNPFEDSA-N 0 3 353.470 2.364 40 0 FEABHN O=C(c1ccn[nH]1)N1CCN(C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355189 541801245 /nfs/dbraw/zinc/80/12/45/541801245.db2.gz VXTWOFQIAXICJZ-MRXNPFEDSA-N 0 3 353.470 2.364 40 0 FEABHN CNC(=O)c1cc2c(nc1NC(C)C)CCN(Cc1cccnc1)CC2 ZINC000096260413 209146143 /nfs/dbraw/zinc/14/61/43/209146143.db2.gz HKWYQLJUIWTUMN-UHFFFAOYSA-N 0 3 353.470 2.257 40 0 FEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@]3(COCC(=O)N(C)C)C2)s1 ZINC000096110346 209115100 /nfs/dbraw/zinc/11/51/00/209115100.db2.gz ZKDYDQWECKJRCZ-AEFFLSMTSA-N 0 3 352.500 2.142 40 0 FEABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)CCO[C@@H]3C2)cc1 ZINC000096108093 209113643 /nfs/dbraw/zinc/11/36/43/209113643.db2.gz QZEMTSYGJFNPMT-SJLPKXTDSA-N 0 3 357.479 2.425 40 0 FEABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(CNC(=O)c2ccccc2)C1 ZINC000096108500 209112587 /nfs/dbraw/zinc/11/25/87/209112587.db2.gz TVQROIAITPJBTC-APWZRJJASA-N 0 3 357.479 2.330 40 0 FEABHN COCCOc1ncccc1-c1noc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000035425015 207155662 /nfs/dbraw/zinc/15/56/62/207155662.db2.gz LTGUAHZVZXLCCY-INIZCTEOSA-N 0 3 374.441 2.473 40 0 biogenic,in-vitro FEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)CC(C)(C)C)C2)c2nccnc21 ZINC000072391686 208845519 /nfs/dbraw/zinc/84/55/19/208845519.db2.gz ICZXHRUAMSSEIA-AWEZNQCLSA-N 0 3 358.490 2.140 40 0 FEABHN CN(C)C(=O)CN[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC000096079066 132218706 /nfs/dbraw/zinc/21/87/06/132218706.db2.gz DTLQXRVGRIUGAK-SFHVURJKSA-N 0 3 365.481 2.137 40 0 FEABHN Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)s1 ZINC000019217206 136152212 /nfs/dbraw/zinc/15/22/12/136152212.db2.gz AJOZAFCMQVPZNC-HNNXBMFYSA-N 0 3 374.510 2.356 40 0 FEABHN Cc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)s1 ZINC000019217206 136152213 /nfs/dbraw/zinc/15/22/13/136152213.db2.gz AJOZAFCMQVPZNC-HNNXBMFYSA-N 0 3 374.510 2.356 40 0 FEABHN COC(=O)c1ccc(CS(=O)(=O)NCCCN2CCCCCC2)cc1 ZINC000020456899 522049579 /nfs/dbraw/zinc/04/95/79/522049579.db2.gz MOCCZRNRJXUTEG-UHFFFAOYSA-N 0 3 368.499 2.159 40 0 FEABHN O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000019745339 527276436 /nfs/dbraw/zinc/27/64/36/527276436.db2.gz FJCYHBYVCHLSOY-FQEVSTJZSA-N 0 3 369.509 2.164 40 0 FEABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)CO)cc1 ZINC000218458846 548687262 /nfs/dbraw/zinc/68/72/62/548687262.db2.gz OVMFRLTZNCIPHT-ZCNNSNEGSA-N 0 3 359.491 2.435 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218588338 548688767 /nfs/dbraw/zinc/68/87/67/548688767.db2.gz LFLHUJWIIGKJIL-WWGRRREGSA-N 0 3 374.890 2.073 40 0 FEABHN Cc1ncoc1C(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1cccnc1)CO2 ZINC000248099935 549407252 /nfs/dbraw/zinc/40/72/52/549407252.db2.gz HJGOUNYDHRENSL-KRWDZBQOSA-N 0 3 370.453 2.131 40 0 FEABHN CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2CC2=Cc3ccccc3OC2)C1 ZINC000257254148 549721716 /nfs/dbraw/zinc/72/17/16/549721716.db2.gz KBWFOKAMKJEGIM-IRFCIJBXSA-N 0 3 356.466 2.156 40 0 FEABHN Cn1cc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)cn1 ZINC000257278426 549724225 /nfs/dbraw/zinc/72/42/25/549724225.db2.gz OCFOEWJQVHIZJH-UHFFFAOYSA-N 0 3 364.457 2.198 40 0 FEABHN O=C(/C=C/c1cccs1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257322004 549727788 /nfs/dbraw/zinc/72/77/88/549727788.db2.gz WEFYQEWYFNURCR-QDLOVBKTSA-N 0 3 356.438 2.456 40 0 FEABHN Cn1cnc([C@H]2CN(Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136019 553750620 /nfs/dbraw/zinc/75/06/20/553750620.db2.gz PGTAOGKHBYFQAV-XLIONFOSSA-N 0 3 354.454 2.241 40 0 FEABHN Cn1cnc([C@@H]2CN(Cc3ccco3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306136018 553750655 /nfs/dbraw/zinc/75/06/55/553750655.db2.gz PGTAOGKHBYFQAV-PXNSSMCTSA-N 0 3 354.454 2.241 40 0 FEABHN O=S(=O)(NCC[C@H]1Cn2cccc2CN(C2CCCC2)C1)C1CC1 ZINC000585095511 571220088 /nfs/dbraw/zinc/22/00/88/571220088.db2.gz UUNICPIICQGUEV-HNNXBMFYSA-N 0 3 351.516 2.334 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)cc1 ZINC000585104510 571223905 /nfs/dbraw/zinc/22/39/05/571223905.db2.gz PMSGQFWSYCOZRY-FQEVSTJZSA-N 0 3 372.509 2.463 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC(=O)N(C)C)o1 ZINC000585105072 571224342 /nfs/dbraw/zinc/22/43/42/571224342.db2.gz OUHCBUMTPVZTRA-KRWDZBQOSA-N 0 3 364.486 2.454 40 0 FEABHN CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019445987 539656789 /nfs/dbraw/zinc/65/67/89/539656789.db2.gz SGHTVXWIEUDLII-QZTJIDSGSA-N 0 3 362.522 2.109 40 0 FEABHN C[C@H](CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 ZINC000019455327 539657553 /nfs/dbraw/zinc/65/75/53/539657553.db2.gz STXWLTPUALOHSZ-CRAIPNDOSA-N 0 3 368.485 2.366 40 0 FEABHN Cc1ccnn1CCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019238464 539653672 /nfs/dbraw/zinc/65/36/72/539653672.db2.gz XJOKCOHXJNLMPC-GOSISDBHSA-N 0 3 368.485 2.113 40 0 FEABHN COc1ccccc1CC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019569517 539660877 /nfs/dbraw/zinc/66/08/77/539660877.db2.gz FDKVBNUZHGGSOL-UHFFFAOYSA-N 0 3 366.465 2.080 40 0 FEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590230 539662970 /nfs/dbraw/zinc/66/29/70/539662970.db2.gz HYONWHANIUOWOD-HNNXBMFYSA-N 0 3 358.486 2.456 40 0 FEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)[n-]c(=O)c2C1 ZINC000019590230 539662974 /nfs/dbraw/zinc/66/29/74/539662974.db2.gz HYONWHANIUOWOD-HNNXBMFYSA-N 0 3 358.486 2.456 40 0 FEABHN COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cccc(OC)c3OC)C2)n1 ZINC000019594319 539663022 /nfs/dbraw/zinc/66/30/22/539663022.db2.gz ACESBYBCWNQSTQ-OAHLLOKOSA-N 0 3 373.453 2.313 40 0 FEABHN CNc1ncc(C(=O)N(Cc2ccc(OC)cc2)C2CCN(C)CC2)cn1 ZINC000019666002 539665638 /nfs/dbraw/zinc/66/56/38/539665638.db2.gz XUBHAXWCAQLURC-UHFFFAOYSA-N 0 3 369.469 2.264 40 0 FEABHN Cc1ccc2c(c1)N(C(=O)CNCCN1CCOCC1)C(C)(C)C=C2C ZINC000022584019 539696539 /nfs/dbraw/zinc/69/65/39/539696539.db2.gz MLYVCKRLYFPYHE-UHFFFAOYSA-N 0 3 357.498 2.445 40 0 FEABHN OCC1CCC(NC2(Cc3cc(CN4CCCCC4)on3)COC2)CC1 ZINC000067898438 541526543 /nfs/dbraw/zinc/52/65/43/541526543.db2.gz MBIGCGKIWPYRLM-UHFFFAOYSA-N 0 3 363.502 2.113 40 0 biogenic,in-vitro FEABHN Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CCN(C[C@@H]1CCOC1)C3 ZINC000100182221 209210659 /nfs/dbraw/zinc/21/06/59/209210659.db2.gz RFYDAUGPZYQNIN-ZDUSSCGKSA-N 0 3 354.410 2.398 40 0 FEABHN CC(=O)N1CCC(N2CCC[C@@H](c3nccnc3-n3ccnc3C)C2)CC1 ZINC000072350687 541801347 /nfs/dbraw/zinc/80/13/47/541801347.db2.gz OMECVYPFSQHTCF-QGZVFWFLSA-N 0 3 368.485 2.161 40 0 FEABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)c(OC)n1 ZINC000072392572 541804240 /nfs/dbraw/zinc/80/42/40/541804240.db2.gz YLROVVHGNKVVAL-JNAXZKDPSA-N 0 3 373.428 2.363 40 0 FEABHN Nc1nccc(C2CCC(CNC(=O)[C@H](N)Cc3ccc(F)cc3)CC2)n1 ZINC000072380002 541803388 /nfs/dbraw/zinc/80/33/88/541803388.db2.gz BPIHAKZYWIDJBD-VMBOVVBDSA-N 0 3 371.460 2.158 40 0 FEABHN CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096263541 209147572 /nfs/dbraw/zinc/14/75/72/209147572.db2.gz JLSXMZOLNTXAKY-UHFFFAOYSA-N 0 3 350.484 2.192 40 0 FEABHN CN(C)C(=O)COC[C@H]1CC2(CO1)CCN(Cc1ccsc1)CC2 ZINC000096105947 209113175 /nfs/dbraw/zinc/11/31/75/209113175.db2.gz CYBPIWSWNBVWCR-MRXNPFEDSA-N 0 3 352.500 2.224 40 0 FEABHN COCCOc1ccnc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)c1 ZINC000035425104 207155687 /nfs/dbraw/zinc/15/56/87/207155687.db2.gz XPWANJCFCJXZQG-KRWDZBQOSA-N 0 3 374.441 2.473 40 0 biogenic,in-vitro FEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)s1 ZINC000096058303 209105291 /nfs/dbraw/zinc/10/52/91/209105291.db2.gz MSSOOEMBQIXROV-IXDOHACOSA-N 0 3 350.484 2.447 40 0 FEABHN CNc1nccnc1C[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000257294633 533088535 /nfs/dbraw/zinc/08/85/35/533088535.db2.gz QUZUDEHZUUAIGJ-KRWDZBQOSA-N 0 3 356.470 2.344 40 0 FEABHN O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 ZINC000096042954 209098312 /nfs/dbraw/zinc/09/83/12/209098312.db2.gz MWSUBNRODVMWIK-SLFFLAALSA-N 0 3 358.482 2.209 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)C1=CCCCC1)C2 ZINC000096039589 209097750 /nfs/dbraw/zinc/09/77/50/209097750.db2.gz LENVXRIJQVSSEP-AZUAARDMSA-N 0 3 350.503 2.463 40 0 FEABHN Fc1ccc(CN2C[C@H]3Cc4cnc(N5CCOCC5)nc4[C@@H]3C2)cc1 ZINC000306138799 132301758 /nfs/dbraw/zinc/30/17/58/132301758.db2.gz SHSWCXOFZHSZIQ-SJLPKXTDSA-N 0 3 354.429 2.224 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218000739 548683657 /nfs/dbraw/zinc/68/36/57/548683657.db2.gz FMUNLIWMPFARMS-SWLSCSKDSA-N 0 3 360.863 2.108 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218590559 548689169 /nfs/dbraw/zinc/68/91/69/548689169.db2.gz GZPIUKGUOFDJAC-DVOMOZLQSA-N 0 3 374.890 2.073 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)CN)cc1 ZINC000242522182 548886858 /nfs/dbraw/zinc/88/68/58/548886858.db2.gz IKTCSXCRBBOLAE-BRWVUGGUSA-N 0 3 350.871 2.244 40 0 FEABHN NC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515337 549672206 /nfs/dbraw/zinc/67/22/06/549672206.db2.gz IVOJQXDNJLFQSY-XHSDSOJGSA-N 0 3 354.834 2.075 40 0 FEABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000252514482 549672259 /nfs/dbraw/zinc/67/22/59/549672259.db2.gz CPCIUZYFGZHWEX-RKVPGOIHSA-N 0 3 368.499 2.118 40 0 FEABHN CCn1cc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)c(C)n1 ZINC000257206370 549717791 /nfs/dbraw/zinc/71/77/91/549717791.db2.gz BDBGVDHWNRAYQH-SFHVURJKSA-N 0 3 357.458 2.195 40 0 FEABHN CC(=O)NCc1nccnc1C1CCN(CCOc2ccccc2)CC1 ZINC000257306073 549726587 /nfs/dbraw/zinc/72/65/87/549726587.db2.gz SSUMUTBZPRXLFV-UHFFFAOYSA-N 0 3 354.454 2.371 40 0 FEABHN Cc1ccc(CN2C[C@H](c3ccnn3C(C)C)[C@@]3(C2)OCCNC3=O)cc1 ZINC000306127386 553749034 /nfs/dbraw/zinc/74/90/34/553749034.db2.gz FXHIXNCQFKPSSU-WIYYLYMNSA-N 0 3 368.481 2.257 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccn3)C[C@@H]1C2 ZINC000306124908 553749246 /nfs/dbraw/zinc/74/92/46/553749246.db2.gz CBYLNNKMCSGWQL-JKSUJKDBSA-N 0 3 374.448 2.230 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@@H]1C2 ZINC000306144921 553751183 /nfs/dbraw/zinc/75/11/83/553751183.db2.gz ZSFOYVSJPUMEGN-KBPBESRZSA-N 0 3 371.872 2.128 40 0 FEABHN COc1ccccc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000328972096 553856035 /nfs/dbraw/zinc/85/60/35/553856035.db2.gz DSWPXCZVBPTXPX-UHFFFAOYSA-N 0 3 364.453 2.108 40 0 FEABHN CN(C)CCNc1nc(NCCc2ccccc2)cc(-c2ccncc2)n1 ZINC000328980908 553858119 /nfs/dbraw/zinc/85/81/19/553858119.db2.gz GQZHKXAIKNLDRU-UHFFFAOYSA-N 0 3 362.481 2.011 40 0 FEABHN Cc1ccc(CNc2cc(-c3ccncc3)nc(NCCN(C)C)n2)cc1 ZINC000329065028 553873976 /nfs/dbraw/zinc/87/39/76/553873976.db2.gz XNLXBBUFCPVZOF-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN COCC(=O)N[C@H]1[C@H](c2cccs2)N(CCC(C)C)CC[C@@]1(C)O ZINC000514289844 560031761 /nfs/dbraw/zinc/03/17/61/560031761.db2.gz JWIPCXFNHZMTOZ-OKZBNKHCSA-N 0 3 354.516 2.423 40 0 biogenic,in-vitro FEABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COc1ccccc1 ZINC000585274648 570487317 /nfs/dbraw/zinc/48/73/17/570487317.db2.gz ZESHCWYUYRXNTK-NRFANRHFSA-N 0 3 370.493 2.391 40 0 FEABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COc1ccccc1 ZINC000585274651 570487549 /nfs/dbraw/zinc/48/75/49/570487549.db2.gz ZESHCWYUYRXNTK-OAQYLSRUSA-N 0 3 370.493 2.391 40 0 FEABHN Cc1ccccc1OC[C@@]1(O)CCN(Cc2cccc(OCCO)c2)C1 ZINC000585276174 570488858 /nfs/dbraw/zinc/48/88/58/570488858.db2.gz MPYALWKXGXBNMX-OAQYLSRUSA-N 0 3 357.450 2.382 40 0 FEABHN CCn1nc(C)c(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)c1C ZINC000585292586 570497148 /nfs/dbraw/zinc/49/71/48/570497148.db2.gz KSWSXCUTDRVUBR-GUDVDZBRSA-N 0 3 363.889 2.494 40 0 FEABHN Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585292951 570497386 /nfs/dbraw/zinc/49/73/86/570497386.db2.gz USWAYDIGTZXISB-BVBGJJFLSA-N 0 3 366.469 2.357 40 0 FEABHN O=C(c1ccccc1)N1CCC2(CO[C@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585103475 571223531 /nfs/dbraw/zinc/22/35/31/571223531.db2.gz GQQNMEYXRSGOGW-OALUTQOASA-N 0 3 358.482 2.155 40 0 FEABHN CCNC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133517 539377931 /nfs/dbraw/zinc/37/79/31/539377931.db2.gz DRVYWDQMTLJWGJ-UHFFFAOYSA-N 0 3 360.527 2.403 40 0 FEABHN COc1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292481 539552020 /nfs/dbraw/zinc/55/20/20/539552020.db2.gz VHEKMENPMSOJDA-GOSISDBHSA-N 0 3 371.433 2.441 40 0 FEABHN Cc1ccc(=O)n(CC2(O)CCN(Cc3cn(C)c4ccccc34)CC2)n1 ZINC000019131377 539652572 /nfs/dbraw/zinc/65/25/72/539652572.db2.gz UJVUNTNPBXKBLD-UHFFFAOYSA-N 0 3 366.465 2.071 40 0 FEABHN C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019078838 539651340 /nfs/dbraw/zinc/65/13/40/539651340.db2.gz OHJRNECISALXGE-SUMWQHHRSA-N 0 3 370.428 2.392 40 0 FEABHN COc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019568643 539661117 /nfs/dbraw/zinc/66/11/17/539661117.db2.gz ZCYGZOHGMSWFEF-UHFFFAOYSA-N 0 3 352.438 2.151 40 0 FEABHN C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)NCCCN1CCCCC1 ZINC000019576236 539661666 /nfs/dbraw/zinc/66/16/66/539661666.db2.gz XLMGCVDTDBSLHG-CSODHUTKSA-N 0 3 369.465 2.066 40 0 FEABHN C=Cn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c(C)n1 ZINC000019584238 539661714 /nfs/dbraw/zinc/66/17/14/539661714.db2.gz KWZSRXZMGHPFGV-QHAWAJNXSA-N 0 3 352.482 2.154 40 0 FEABHN CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccnn1C(F)F ZINC000019582590 539662068 /nfs/dbraw/zinc/66/20/68/539662068.db2.gz ZAXLKTHTLCSJQP-UHFFFAOYSA-N 0 3 366.368 2.211 40 0 FEABHN COc1cccc(CC(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590618 539663197 /nfs/dbraw/zinc/66/31/97/539663197.db2.gz UVTIZAXTTSPJSV-MRXNPFEDSA-N 0 3 366.465 2.032 40 0 FEABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)CCC2CCCC2)CC3)C1 ZINC000019709471 539666404 /nfs/dbraw/zinc/66/64/04/539666404.db2.gz LHYYFQUKGLASMQ-KRWDZBQOSA-N 0 3 359.518 2.442 40 0 FEABHN COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223261592 209753812 /nfs/dbraw/zinc/75/38/12/209753812.db2.gz MWEJTEVXLWZUMI-ROUUACIJSA-N 0 3 373.526 2.064 40 0 FEABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635320 291050763 /nfs/dbraw/zinc/05/07/63/291050763.db2.gz YBNLVKICNQATIO-KSZLIROESA-N 0 3 368.481 2.028 40 0 biogenic,in-vitro FEABHN Cn1cncc1CN1CCC[C@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108527038 209288542 /nfs/dbraw/zinc/28/85/42/209288542.db2.gz MCFJMIFTRJISPY-HXUWFJFHSA-N 0 3 353.470 2.220 40 0 FEABHN Cn1nccc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108532891 209288415 /nfs/dbraw/zinc/28/84/15/209288415.db2.gz PAAPQWNEJHDVMJ-WBVHZDCISA-N 0 3 352.429 2.326 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)CC1 ZINC000100748849 209216905 /nfs/dbraw/zinc/21/69/05/209216905.db2.gz WDIGICYPRVYRQC-MAEOIBBWSA-N 0 3 372.513 2.376 40 0 FEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)CC(C)(C)C)C2)c2nccnc21 ZINC000072391687 541804212 /nfs/dbraw/zinc/80/42/12/541804212.db2.gz ICZXHRUAMSSEIA-CQSZACIVSA-N 0 3 358.490 2.140 40 0 FEABHN O=C(c1cc([C@H]2CCCN(Cc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380490 541802758 /nfs/dbraw/zinc/80/27/58/541802758.db2.gz LZKMSOGJXXWZDY-KRWDZBQOSA-N 0 3 354.454 2.262 40 0 FEABHN O=C(c1ccnnc1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216346 209136730 /nfs/dbraw/zinc/13/67/30/209136730.db2.gz KFGMWGQAQPNWRK-OAQYLSRUSA-N 0 3 366.465 2.484 40 0 FEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@H]21)Nc1cccnc1 ZINC000096207141 209135140 /nfs/dbraw/zinc/13/51/40/209135140.db2.gz NPJHUAGFBDIJRJ-BHIYHBOVSA-N 0 3 352.438 2.342 40 0 FEABHN O=C(c1cnc2ccccc2c1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096206384 209134458 /nfs/dbraw/zinc/13/44/58/209134458.db2.gz SEAAZADTJYQSLN-AZUAARDMSA-N 0 3 351.450 2.418 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccs1)C2)NCc1ccccn1 ZINC000096205815 209133920 /nfs/dbraw/zinc/13/39/20/209133920.db2.gz XNTLNZARBQCQAS-BEFAXECRSA-N 0 3 357.479 2.298 40 0 FEABHN Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398555 208250157 /nfs/dbraw/zinc/25/01/57/208250157.db2.gz KUGRNRAOHNBRDR-UHFFFAOYSA-N 0 3 366.400 2.115 40 0 FEABHN CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096056006 209104704 /nfs/dbraw/zinc/10/47/04/209104704.db2.gz JBMNTDOANKNDGT-PXNSSMCTSA-N 0 3 362.445 2.449 40 0 FEABHN COc1ccc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)cc1 ZINC000096061065 209103577 /nfs/dbraw/zinc/10/35/77/209103577.db2.gz IZLPZWVDEFHEEK-KRWDZBQOSA-N 0 3 351.410 2.037 40 0 FEABHN Cc1noc(C)c1CN1CCC2(CC[C@H]2NC(=O)c2cnccn2)CC1 ZINC000096051493 209101912 /nfs/dbraw/zinc/10/19/12/209101912.db2.gz HMPYWRPAPBBOLQ-QGZVFWFLSA-N 0 3 355.442 2.256 40 0 FEABHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)s1 ZINC000019217204 136152128 /nfs/dbraw/zinc/15/21/28/136152128.db2.gz AJOZAFCMQVPZNC-OAHLLOKOSA-N 0 3 374.510 2.356 40 0 FEABHN Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)s1 ZINC000019217204 136152129 /nfs/dbraw/zinc/15/21/29/136152129.db2.gz AJOZAFCMQVPZNC-OAHLLOKOSA-N 0 3 374.510 2.356 40 0 FEABHN CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNCc2ccncc2F)COC1 ZINC000096112768 542992199 /nfs/dbraw/zinc/99/21/99/542992199.db2.gz WUJZUGMFFFTBSP-HNNXBMFYSA-N 0 3 369.400 2.390 40 0 biogenic,in-vitro FEABHN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCCN1CCN(C)CC1 ZINC000078578806 525947638 /nfs/dbraw/zinc/94/76/38/525947638.db2.gz UIFNMVDBGOIATD-QGZVFWFLSA-N 0 3 355.482 2.361 40 0 FEABHN COC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218096856 548685031 /nfs/dbraw/zinc/68/50/31/548685031.db2.gz BHPOCJHVOWCPCE-QYZOEREBSA-N 0 3 361.463 2.226 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218590709 548688978 /nfs/dbraw/zinc/68/89/78/548688978.db2.gz GZPIUKGUOFDJAC-HEHGZKQESA-N 0 3 374.890 2.073 40 0 FEABHN Cc1cc(CN2CC3(C2)CC[C@H](CN(C)Cc2ccco2)CO3)n(C)n1 ZINC000247932934 549393334 /nfs/dbraw/zinc/39/33/34/549393334.db2.gz RIYMFQTWLDJAPL-QGZVFWFLSA-N 0 3 358.486 2.435 40 0 FEABHN CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccncc3)C2)OC1 ZINC000248046423 549402602 /nfs/dbraw/zinc/40/26/02/549402602.db2.gz MKASUFLRYWEYPB-INIZCTEOSA-N 0 3 355.438 2.428 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@@H]43)n2)C[C@H](C)O1 ZINC000253603374 549698507 /nfs/dbraw/zinc/69/85/07/549698507.db2.gz KJIXZEHJTYWXJD-PHAGKYIGSA-N 0 3 360.502 2.216 40 0 FEABHN NCc1cn(-c2ccccc2C(=O)NCCOc2ccc(F)cc2)cn1 ZINC000257212484 549719049 /nfs/dbraw/zinc/71/90/49/549719049.db2.gz CDRAMPYRVFFZMN-UHFFFAOYSA-N 0 3 354.385 2.279 40 0 FEABHN CCN1C(=O)C[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1Cl ZINC000257247022 549720954 /nfs/dbraw/zinc/72/09/54/549720954.db2.gz IXAWUFRAXBFAPL-QAPCUYQASA-N 0 3 363.889 2.460 40 0 FEABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 ZINC000306134998 553749809 /nfs/dbraw/zinc/74/98/09/553749809.db2.gz OEAYQDPWOIWVGO-YLJYHZDGSA-N 0 3 357.454 2.120 40 0 FEABHN Cn1cnc([C@H]2CN(Cc3ccco3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306136020 553750379 /nfs/dbraw/zinc/75/03/79/553750379.db2.gz PGTAOGKHBYFQAV-YLJYHZDGSA-N 0 3 354.454 2.241 40 0 FEABHN COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cccc(C)c3)CC2)C1 ZINC000306135716 553750596 /nfs/dbraw/zinc/75/05/96/553750596.db2.gz OYKOKXHWRPREJX-UHFFFAOYSA-N 0 3 369.469 2.468 40 0 FEABHN Cc1cccnc1Nc1nccnc1[C@H]1CCCN1C(=O)/C=C/CN(C)C ZINC000585292279 570496998 /nfs/dbraw/zinc/49/69/98/570496998.db2.gz KDLMFLPASYALOS-YXMGTMDOSA-N 0 3 366.469 2.705 40 0 FEABHN CC1CC(C(=O)N2CCC[C@]3(CCN(CC4CCN(C)CC4)C3=O)C2)C1 ZINC000585100918 571222295 /nfs/dbraw/zinc/22/22/95/571222295.db2.gz GBPAKHKFOHNFLV-IAYYMHMVSA-N 0 3 361.530 2.215 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000585103589 571222479 /nfs/dbraw/zinc/22/24/79/571222479.db2.gz HNEUMEMGYIVLCC-RTBURBONSA-N 0 3 358.482 2.073 40 0 FEABHN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019288823 539655299 /nfs/dbraw/zinc/65/52/99/539655299.db2.gz SWTKIMAKXWVTPA-KRWDZBQOSA-N 0 3 366.469 2.053 40 0 FEABHN O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019375468 539656472 /nfs/dbraw/zinc/65/64/72/539656472.db2.gz BOXYYAFFZCXHCM-OALUTQOASA-N 0 3 364.449 2.100 40 0 FEABHN CC(C)[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019445985 539656885 /nfs/dbraw/zinc/65/68/85/539656885.db2.gz SGHTVXWIEUDLII-ROUUACIJSA-N 0 3 362.522 2.109 40 0 FEABHN C=Cn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c1C ZINC000019554394 539661147 /nfs/dbraw/zinc/66/11/47/539661147.db2.gz UDJHKXNPDSNIHX-QHAWAJNXSA-N 0 3 352.482 2.154 40 0 FEABHN CN(C)C[C@H]1CCCCN1C(=O)CCCc1nc(-c2ccccn2)no1 ZINC000019581931 539662441 /nfs/dbraw/zinc/66/24/41/539662441.db2.gz RIRKNADCQLVIHL-OAHLLOKOSA-N 0 3 357.458 2.397 40 0 FEABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3cccc(OC)c3)C2)no1 ZINC000019593546 539662852 /nfs/dbraw/zinc/66/28/52/539662852.db2.gz CFCPBSXIWHOMAC-INIZCTEOSA-N 0 3 373.453 2.439 40 0 FEABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccccc2C)CC3)C1 ZINC000019709481 539666356 /nfs/dbraw/zinc/66/63/56/539666356.db2.gz ZUOHMHIISLYWNH-IBGZPJMESA-N 0 3 367.497 2.371 40 0 FEABHN CN1CCc2nc([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)ncc2C1 ZINC000019590433 539663558 /nfs/dbraw/zinc/66/35/58/539663558.db2.gz IMUMHICZDKEFDD-AWEZNQCLSA-N 0 3 367.453 2.350 40 0 FEABHN Cc1cc(NCCNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c2ccccc2n1 ZINC000019656282 539664398 /nfs/dbraw/zinc/66/43/98/539664398.db2.gz HSACMSMQBPKCMF-HNNXBMFYSA-N 0 3 354.454 2.328 40 0 FEABHN O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298506 291054315 /nfs/dbraw/zinc/05/43/15/291054315.db2.gz NHSMDRBINKNYSU-AHRSYUTCSA-N 0 3 371.529 2.390 40 0 biogenic,in-vitro FEABHN Cn1nccc1CN1CC[C@@]2(CCC[C@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108532886 209288803 /nfs/dbraw/zinc/28/88/03/209288803.db2.gz PAAPQWNEJHDVMJ-RDJZCZTQSA-N 0 3 352.429 2.326 40 0 FEABHN Cn1nccc1CN1CCC[C@@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108525073 209288277 /nfs/dbraw/zinc/28/82/77/209288277.db2.gz JGOSBOSKOZGXLR-FQEVSTJZSA-N 0 3 360.502 2.051 40 0 FEABHN C[C@H]1CCCCN1CC(=O)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373069 541802144 /nfs/dbraw/zinc/80/21/44/541802144.db2.gz PGKPIPGUSCGULC-IRXDYDNUSA-N 0 3 372.513 2.160 40 0 FEABHN COCC(=O)N[C@@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 ZINC000096219937 209137817 /nfs/dbraw/zinc/13/78/17/209137817.db2.gz PYOGTYIHNRCMPM-MRXNPFEDSA-N 0 3 352.500 2.190 40 0 FEABHN COCC(=O)N[C@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 ZINC000096219935 209137320 /nfs/dbraw/zinc/13/73/20/209137320.db2.gz PYOGTYIHNRCMPM-INIZCTEOSA-N 0 3 352.500 2.190 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccco1)C2)NCCc1ccccc1 ZINC000096206688 209134797 /nfs/dbraw/zinc/13/47/97/209134797.db2.gz PBRYQNPGKKYSBK-NQIIRXRSSA-N 0 3 354.450 2.477 40 0 FEABHN Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccc5c(c4)OCO5)CC[C@H]32)o1 ZINC000096207631 209134483 /nfs/dbraw/zinc/13/44/83/209134483.db2.gz LUGKRMMVBSXUIN-INMHGKMJSA-N 0 3 357.410 2.186 40 0 FEABHN CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013673005 220082098 /nfs/dbraw/zinc/08/20/98/220082098.db2.gz MNEJEMCQOJMCBW-QGZVFWFLSA-N 0 3 367.515 2.443 40 0 FEABHN CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013673005 220082101 /nfs/dbraw/zinc/08/21/01/220082101.db2.gz MNEJEMCQOJMCBW-QGZVFWFLSA-N 0 3 367.515 2.443 40 0 FEABHN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc1 ZINC000073391342 541949209 /nfs/dbraw/zinc/94/92/09/541949209.db2.gz MFAQRALUOKQDAT-BYYRLHKVSA-N 0 3 357.406 2.492 40 0 FEABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@H]3CCCO3)cc12 ZINC000012326867 207361788 /nfs/dbraw/zinc/36/17/88/207361788.db2.gz MDWLAMRVTNCTCU-MRXNPFEDSA-N 0 3 356.401 2.430 40 0 FEABHN COC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000044914637 208322014 /nfs/dbraw/zinc/32/20/14/208322014.db2.gz YGNBCDJHDOAQHG-QGZVFWFLSA-N 0 3 362.445 2.449 40 0 FEABHN COc1ccc(CN2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)cc1 ZINC000096056669 209104609 /nfs/dbraw/zinc/10/46/09/209104609.db2.gz HAUCMOQMZHWGQQ-POAQFYNOSA-N 0 3 369.465 2.053 40 0 FEABHN COc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)cc1 ZINC000096061489 209103839 /nfs/dbraw/zinc/10/38/39/209103839.db2.gz YMJJHWZDPLUSKG-GOSISDBHSA-N 0 3 354.454 2.067 40 0 FEABHN Cc1ccoc1C(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 ZINC000096039552 209097895 /nfs/dbraw/zinc/09/78/95/209097895.db2.gz UNVCUNIJZAQXAC-VQIMIIECSA-N 0 3 350.459 2.178 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)s1 ZINC000096159144 132221148 /nfs/dbraw/zinc/22/11/48/132221148.db2.gz NEQKHBIHLFBDQL-UHFFFAOYSA-N 0 3 358.467 2.245 40 0 FEABHN COc1cc2c(cc1OC)CN(c1cc(C)nc(NCCN(C)C)n1)CC2 ZINC000244371632 132249918 /nfs/dbraw/zinc/24/99/18/132249918.db2.gz XZFHIAMZFULMGN-UHFFFAOYSA-N 0 3 371.485 2.338 40 0 FEABHN COc1cc2c(cc1OC)CN(c1ccnc(NCCN(C)C)n1)CC2 ZINC000243820466 132250120 /nfs/dbraw/zinc/25/01/20/132250120.db2.gz QUXRZIDGHJGURS-UHFFFAOYSA-N 0 3 357.458 2.030 40 0 FEABHN CN1CCN(CCCNC(=O)CSCc2ccccc2Cl)CC1 ZINC000022829340 263386200 /nfs/dbraw/zinc/38/62/00/263386200.db2.gz MKFYUXULCFAKQG-UHFFFAOYSA-N 0 3 355.935 2.327 40 0 FEABHN Cc1cc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)nc(C)n1 ZINC000257294679 534047582 /nfs/dbraw/zinc/04/75/82/534047582.db2.gz QVGOGIZZERQZJL-IBGZPJMESA-N 0 3 354.454 2.369 40 0 FEABHN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCN(C)CC1 ZINC000175929702 546373799 /nfs/dbraw/zinc/37/37/99/546373799.db2.gz SKJLQOJDSCPJSN-MRXNPFEDSA-N 0 3 353.894 2.251 40 0 FEABHN NC[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242718295 548886507 /nfs/dbraw/zinc/88/65/07/548886507.db2.gz XIHCLCRTZLATCX-BBWFWOEESA-N 0 3 351.855 2.217 40 0 FEABHN CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(CC3CC3)CCN21 ZINC000253398810 549686925 /nfs/dbraw/zinc/68/69/25/549686925.db2.gz HOSKZVWJJAIBRX-IBGZPJMESA-N 0 3 356.514 2.387 40 0 biogenic,in-vitro FEABHN COc1ccc([C@@H](CN)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000255977229 549709829 /nfs/dbraw/zinc/70/98/29/549709829.db2.gz HRDVPEGYZCNYSZ-HUUCEWRRSA-N 0 3 365.474 2.303 40 0 FEABHN CN1CCN(C(=O)CN2CCCC2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257274260 549722889 /nfs/dbraw/zinc/72/28/89/549722889.db2.gz NKFPLAOAFVJOIQ-SFHVURJKSA-N 0 3 366.509 2.263 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306133249 553749521 /nfs/dbraw/zinc/74/95/21/553749521.db2.gz MGRMYTMTVZARBT-SJORKVTESA-N 0 3 374.448 2.230 40 0 FEABHN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333302172 554600406 /nfs/dbraw/zinc/60/04/06/554600406.db2.gz QGEFGPVOVNMMCH-XIEZEKGWSA-N 0 3 356.397 2.307 40 0 FEABHN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C3CCOCC3)C[C@H]21 ZINC000514288708 560034169 /nfs/dbraw/zinc/03/41/69/560034169.db2.gz WJKZSQMFKBVTFJ-ZBFHGGJFSA-N 0 3 370.371 2.402 40 0 biogenic,in-vitro FEABHN Cn1nc(C2CC2)cc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019288824 539654890 /nfs/dbraw/zinc/65/48/90/539654890.db2.gz SWTKIMAKXWVTPA-QGZVFWFLSA-N 0 3 366.469 2.053 40 0 FEABHN CCOc1ccccc1C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019520126 539658547 /nfs/dbraw/zinc/65/85/47/539658547.db2.gz YNQXSUSEXOVRRJ-QGZVFWFLSA-N 0 3 352.438 2.498 40 0 FEABHN CCc1[nH]nc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1C ZINC000019520965 539658863 /nfs/dbraw/zinc/65/88/63/539658863.db2.gz ISWQPASHJDAKPX-UHFFFAOYSA-N 0 3 368.485 2.078 40 0 FEABHN CCOC(=O)[C@H](C)N1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019529452 539660088 /nfs/dbraw/zinc/66/00/88/539660088.db2.gz VEIGSMDGGYKDCV-HNNXBMFYSA-N 0 3 360.454 2.246 40 0 FEABHN COc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1OC ZINC000019561143 539661460 /nfs/dbraw/zinc/66/14/60/539661460.db2.gz IQDMODBFPKBPHV-KRWDZBQOSA-N 0 3 354.454 2.477 40 0 FEABHN COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)n1 ZINC000019594307 539662760 /nfs/dbraw/zinc/66/27/60/539662760.db2.gz NETSNZVVXFHVDJ-OAHLLOKOSA-N 0 3 373.453 2.313 40 0 FEABHN Cn1cc(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cn1 ZINC000019715501 539667469 /nfs/dbraw/zinc/66/74/69/539667469.db2.gz KAIYJOWMNMWRQR-ZDUSSCGKSA-N 0 3 370.432 2.329 40 0 FEABHN Cc1onc(C(C)C)c1C(=O)N1CCn2c(nnc2[C@H]2CCCN(C)C2)C1 ZINC000019710995 539667611 /nfs/dbraw/zinc/66/76/11/539667611.db2.gz JEZUEDSCZKXCTR-AWEZNQCLSA-N 0 3 372.473 2.163 40 0 FEABHN CC(C)(C)OC(=O)N(Cc1ncn2c1CNCCC2)C1CCOCC1 ZINC000101736254 209229023 /nfs/dbraw/zinc/22/90/23/209229023.db2.gz IAJHVUVCLOSAFX-UHFFFAOYSA-N 0 3 350.463 2.293 40 0 FEABHN CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN2CCC[C@H](O)C2)C1 ZINC000072396052 541804948 /nfs/dbraw/zinc/80/49/48/541804948.db2.gz VGDHYFVFBYCOHX-HOTGVXAUSA-N 0 3 356.470 2.246 40 0 FEABHN COC[C@H]1CC2(CN1C)CCN(S(=O)(=O)c1cccc(C)c1)CC2 ZINC000096215497 209135732 /nfs/dbraw/zinc/13/57/32/209135732.db2.gz KEHZWUWBOMZFPA-MRXNPFEDSA-N 0 3 352.500 2.116 40 0 FEABHN COCCN1CC2(CCN(Cc3ccsc3)CC2)[C@@H](COC)C1=O ZINC000096208250 209134671 /nfs/dbraw/zinc/13/46/71/209134671.db2.gz JBCGCMWFEGSTGQ-INIZCTEOSA-N 0 3 352.500 2.082 40 0 FEABHN CCN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)c1ccccc1O2 ZINC000096079759 209110269 /nfs/dbraw/zinc/11/02/69/209110269.db2.gz QUMJCAQMKQLAAQ-MRXNPFEDSA-N 0 3 350.484 2.447 40 0 FEABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056120 209105334 /nfs/dbraw/zinc/10/53/34/209105334.db2.gz HNQJIOSHMRESEN-UWJYYQICSA-N 0 3 368.481 2.481 40 0 FEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000119900794 543673205 /nfs/dbraw/zinc/67/32/05/543673205.db2.gz IYKFQEVNVMPIOZ-LLVKDONJSA-N 0 3 372.238 2.127 40 0 FEABHN O=C(NC[C@@H]1Cn2nccc2CN(CC2CCCC2)C1)c1cccnc1 ZINC000247495890 549345121 /nfs/dbraw/zinc/34/51/21/549345121.db2.gz OCKZYYXEYDHKBA-KRWDZBQOSA-N 0 3 353.470 2.330 40 0 FEABHN NC[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218428509 548686072 /nfs/dbraw/zinc/68/60/72/548686072.db2.gz XIHCLCRTZLATCX-IXDOHACOSA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)C2(CN)CN)cc1 ZINC000218390315 548686114 /nfs/dbraw/zinc/68/61/14/548686114.db2.gz IEWOSWZVKGMLJN-IAGOWNOFSA-N 0 3 364.898 2.492 40 0 FEABHN NC[C@@]1(CO)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218600095 548689291 /nfs/dbraw/zinc/68/92/91/548689291.db2.gz FZAWCYLHPHPMGY-IXDOHACOSA-N 0 3 369.845 2.356 40 0 FEABHN CN1CCN(Cc2nc(C3(O)CCN(C4CCCC4)CC3)cs2)CC1 ZINC000225471604 548735131 /nfs/dbraw/zinc/73/51/31/548735131.db2.gz HWPBFSSPFVENKB-UHFFFAOYSA-N 0 3 364.559 2.117 40 0 biogenic,in-vitro FEABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000242543280 548886940 /nfs/dbraw/zinc/88/69/40/548886940.db2.gz JVEFSRVRWZLJPV-QWFCFKBJSA-N 0 3 373.474 2.443 40 0 FEABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(CN)NC(=O)OC(C)(C)C ZINC000252514481 549672063 /nfs/dbraw/zinc/67/20/63/549672063.db2.gz CPCIUZYFGZHWEX-DAYGRLMNSA-N 0 3 368.499 2.118 40 0 FEABHN Cc1nccc([C@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 ZINC000257200736 549716811 /nfs/dbraw/zinc/71/68/11/549716811.db2.gz AERGVPXWNZYIMT-SFHVURJKSA-N 0 3 353.470 2.408 40 0 FEABHN CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257269728 549723315 /nfs/dbraw/zinc/72/33/15/549723315.db2.gz MRDJQYJULGZLAP-HXUWFJFHSA-N 0 3 374.460 2.288 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306139544 553750736 /nfs/dbraw/zinc/75/07/36/553750736.db2.gz SZXPFBZTWYDZKO-CABCVRRESA-N 0 3 363.421 2.428 40 0 FEABHN CO[C@@H]1CCN(CCCOc2ccccc2F)C[C@H]1CC(=O)N(C)C ZINC000585277777 570489753 /nfs/dbraw/zinc/48/97/53/570489753.db2.gz XUTTWFCXVFONSW-NVXWUHKLSA-N 0 3 352.450 2.410 40 0 FEABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccccc2)[C@@H](O)C1 ZINC000585283117 570493110 /nfs/dbraw/zinc/49/31/10/570493110.db2.gz BZUNYAGFDUGVNO-ICSRJNTNSA-N 0 3 374.868 2.068 40 0 FEABHN Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)n1 ZINC000585292932 570496801 /nfs/dbraw/zinc/49/68/01/570496801.db2.gz UJRNZMXBOXFBRS-ISZGNANSSA-N 0 3 372.498 2.419 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585105160 571224385 /nfs/dbraw/zinc/22/43/85/571224385.db2.gz ZTMWIZONVWKJIH-WOJBJXKFSA-N 0 3 372.509 2.463 40 0 FEABHN O=C(NCCN1CCCC1)c1cc(C2CCOCC2)c2cnccc2n1 ZINC000019404797 539657475 /nfs/dbraw/zinc/65/74/75/539657475.db2.gz AVPUUHFHXHHIAR-UHFFFAOYSA-N 0 3 354.454 2.349 40 0 FEABHN COc1ccc(CCC(=O)N2CC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019554493 539661019 /nfs/dbraw/zinc/66/10/19/539661019.db2.gz JBVIHUNYCXQMAW-INIZCTEOSA-N 0 3 366.465 2.080 40 0 FEABHN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000019712319 539667363 /nfs/dbraw/zinc/66/73/63/539667363.db2.gz LWMKVIFVDCEKRY-RBUKOAKNSA-N 0 3 370.497 2.242 40 0 FEABHN CNc1cc(CN(C)C(=O)COc2ccc(F)cc2)nc([C@@H]2CCCN2)n1 ZINC000019760752 539668968 /nfs/dbraw/zinc/66/89/68/539668968.db2.gz UFKOQWXCJAEBDY-INIZCTEOSA-N 0 3 373.432 2.119 40 0 FEABHN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN3CCC[C@H]3C2)cc1 ZINC000022860501 539701547 /nfs/dbraw/zinc/70/15/47/539701547.db2.gz FBUWYWUKHYXXSO-FUHWJXTLSA-N 0 3 370.501 2.306 40 0 FEABHN Cn1cc(CN2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1 ZINC000248117685 209926215 /nfs/dbraw/zinc/92/62/15/209926215.db2.gz JARLDVVLHWTHCT-UHFFFAOYSA-N 0 3 353.470 2.220 40 0 FEABHN Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)o1 ZINC000107711867 209278764 /nfs/dbraw/zinc/27/87/64/209278764.db2.gz VFEKKIMUKKVBCV-MJGOQNOKSA-N 0 3 350.459 2.064 40 0 FEABHN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N1CCNCC1 ZINC000072216382 541795429 /nfs/dbraw/zinc/79/54/29/541795429.db2.gz DLOLMXMYIHZNEE-UHFFFAOYSA-N 0 3 362.474 2.369 40 0 FEABHN CN(C)CCNC(=O)[C@H]1C[C@@H]2CC[C@@]1(C)C[C@@]21Nc2ccccc2C(=O)N1 ZINC000072326960 541799789 /nfs/dbraw/zinc/79/97/89/541799789.db2.gz AZYLCOQHARWZNX-LJQHDNKASA-N 0 3 370.497 2.042 40 0 FEABHN O=C(N1CCOCC1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158397 209126782 /nfs/dbraw/zinc/12/67/82/209126782.db2.gz HWHUJXDLHJEGTK-UHFFFAOYSA-N 0 3 358.486 2.212 40 0 FEABHN CCOC(=O)C1=C([O-])NC(N2CCC(C)CC2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000008559815 207236046 /nfs/dbraw/zinc/23/60/46/207236046.db2.gz CGAHEZWJOBJDIX-JKSUJKDBSA-N 0 3 361.417 2.264 40 0 FEABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 ZINC000012362925 207366555 /nfs/dbraw/zinc/36/65/55/207366555.db2.gz UMNKUTHNZANKTR-MRXNPFEDSA-N 0 3 370.497 2.340 40 0 FEABHN Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC(=O)N(C)C)C2)o1 ZINC000096039762 209098251 /nfs/dbraw/zinc/09/82/51/209098251.db2.gz VFEKKIMUKKVBCV-IEBWSBKVSA-N 0 3 350.459 2.064 40 0 FEABHN Cn1cc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)cn1 ZINC000096047329 209099424 /nfs/dbraw/zinc/09/94/24/209099424.db2.gz IBTXLRSOEFHJNS-UHFFFAOYSA-N 0 3 367.497 2.262 40 0 FEABHN Cc1ccc(CN2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)s1 ZINC000096230488 132223137 /nfs/dbraw/zinc/22/31/37/132223137.db2.gz QPEGPQPKAORAHH-IBGZPJMESA-N 0 3 356.495 2.375 40 0 FEABHN COC(=O)c1ccc2c(c1)CCN(c1cc(NCCN(C)C)nc(C)n1)C2 ZINC000328987635 132372360 /nfs/dbraw/zinc/37/23/60/132372360.db2.gz ICFFALIHDQSBOX-UHFFFAOYSA-N 0 3 369.469 2.108 40 0 FEABHN C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CCc2ccccc2)C3)C[C@H](C)O1 ZINC000072335558 136144456 /nfs/dbraw/zinc/14/44/56/136144456.db2.gz KQXAHCMYRGGPLN-IYBDPMFKSA-N 0 3 368.481 2.397 40 0 FEABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(OC)nc2)COC1 ZINC000096112686 542992246 /nfs/dbraw/zinc/99/22/46/542992246.db2.gz CGRPPOKHHWYEKY-AWEZNQCLSA-N 0 3 354.410 2.310 40 0 biogenic,in-vitro FEABHN COc1cc(CNCc2ccccc2)ccc1OCC(=O)N1CCOCC1 ZINC000017075896 263372222 /nfs/dbraw/zinc/37/22/22/263372222.db2.gz STTVDQWJBWYUFA-UHFFFAOYSA-N 0 3 370.449 2.223 40 0 FEABHN O=C1CCCN1C[C@@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000247954926 549394043 /nfs/dbraw/zinc/39/40/43/549394043.db2.gz MTZXWGSEDIMXGZ-ZTFGCOKTSA-N 0 3 364.873 2.288 40 0 FEABHN Cc1ncoc1C(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1ccco1)CO2 ZINC000248085662 549406049 /nfs/dbraw/zinc/40/60/49/549406049.db2.gz DKCLCPSANQCTJI-HNNXBMFYSA-N 0 3 359.426 2.329 40 0 FEABHN Cn1cc(CN2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)cn1 ZINC000257203792 549717910 /nfs/dbraw/zinc/71/79/10/549717910.db2.gz ARQHMUIIHQZHTI-HNNXBMFYSA-N 0 3 364.457 2.198 40 0 FEABHN CC(=O)N1[C@H]2CCN(Cc3ccnc4ccccc34)C[C@@H]2C[C@]1(C)CO ZINC000257293285 549725538 /nfs/dbraw/zinc/72/55/38/549725538.db2.gz QOWRRGLMNWMCEJ-DZFGPLHGSA-N 0 3 353.466 2.429 40 0 FEABHN O=C(Cc1ccsc1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257312168 549726083 /nfs/dbraw/zinc/72/60/83/549726083.db2.gz UMTGZDZEUSNBFX-HXUWFJFHSA-N 0 3 356.491 2.312 40 0 FEABHN CC(=O)N[C@@H]1CN(Cc2ccc3[nH]ccc3c2)C2(C1)CCN(C(C)=O)CC2 ZINC000257316635 549727622 /nfs/dbraw/zinc/72/76/22/549727622.db2.gz VGKHYPWEEIBFSM-IBGZPJMESA-N 0 3 368.481 2.259 40 0 FEABHN O=C(N[C@H]1c2ncnn2CC[C@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 ZINC000306125029 553748744 /nfs/dbraw/zinc/74/87/44/553748744.db2.gz CFARSWXRIPCXLJ-PXNSSMCTSA-N 0 3 369.444 2.281 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306131661 553749395 /nfs/dbraw/zinc/74/93/95/553749395.db2.gz KLKVWIFLQOIZQW-LSDHHAIUSA-N 0 3 373.888 2.374 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306131659 553749611 /nfs/dbraw/zinc/74/96/11/553749611.db2.gz KLKVWIFLQOIZQW-GJZGRUSLSA-N 0 3 373.888 2.374 40 0 FEABHN Cc1ccsc1CN1C[C@H](c2ccnn2C(C)C)[C@@]2(C1)OCCNC2=O ZINC000306132855 553749730 /nfs/dbraw/zinc/74/97/30/553749730.db2.gz LUMPORMAZUTBBB-DNVCBOLYSA-N 0 3 374.510 2.319 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)cc2F)cc(-c2cccnc2)n1 ZINC000328963748 553854422 /nfs/dbraw/zinc/85/44/22/553854422.db2.gz BQCPJQCXZDDTFG-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CN1C[C@@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)[C@@H](c2ccccc2)C1 ZINC000329018609 553865803 /nfs/dbraw/zinc/86/58/03/553865803.db2.gz LBWACHHFNGJSAC-RTBURBONSA-N 0 3 363.461 2.423 40 0 FEABHN CCc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCCN(C)C)n1 ZINC000329004410 571134475 /nfs/dbraw/zinc/13/44/75/571134475.db2.gz KSEZGSFBRQJENN-HNNXBMFYSA-N 0 3 369.513 2.629 40 0 FEABHN Cc1nc(C(=O)N2CC3(C2)C[C@@H](COCC2CC2)CN3CC2CC2)c[nH]1 ZINC000585093751 571219925 /nfs/dbraw/zinc/21/99/25/571219925.db2.gz BYPQQCCUMKYGPO-QGZVFWFLSA-N 0 3 358.486 2.071 40 0 FEABHN CN1CCC(C(=O)NC[C@H]2OCCc3cn(Cc4ccccc4)nc32)CC1 ZINC000585111920 571225783 /nfs/dbraw/zinc/22/57/83/571225783.db2.gz JGBJXUBMYODUNJ-LJQANCHMSA-N 0 3 368.481 2.003 40 0 FEABHN CN(C)CCN1C(=O)c2c3cnn(-c4ccccc4)c3n3cccc3c2C1=O ZINC000001612519 539342972 /nfs/dbraw/zinc/34/29/72/539342972.db2.gz WKNLGGNWLWZGTB-UHFFFAOYSA-N 0 3 373.416 2.436 40 0 FEABHN CC1=CC2=NC(=O)C[C@](C)(C(=O)NC(C)(C)CN3CCC[C@@H](C)C3)N2C=C1 ZINC000012203303 539549532 /nfs/dbraw/zinc/54/95/32/539549532.db2.gz METCUPCESNKADG-IIBYNOLFSA-N 0 3 372.513 2.476 40 0 FEABHN Cc1ccc2c(c1)C(=O)N(CC(=O)NCC(C)C)CC1(CCN(C)CC1)O2 ZINC000019218580 539652711 /nfs/dbraw/zinc/65/27/11/539652711.db2.gz OVYAVEOEBNVBEH-UHFFFAOYSA-N 0 3 373.497 2.066 40 0 FEABHN c1cc(CN2CCC(CCN3CCOCC3)CC2)nc(N2CCCC2)n1 ZINC000019404029 539657535 /nfs/dbraw/zinc/65/75/35/539657535.db2.gz PKTHMZZAPDCNNO-UHFFFAOYSA-N 0 3 359.518 2.011 40 0 FEABHN CCC[C@H](c1nnnn1CCOC)N1CCN(C2CCCCC2)CC1 ZINC000019501902 539658851 /nfs/dbraw/zinc/65/88/51/539658851.db2.gz RIGDZTKWNUENHW-QGZVFWFLSA-N 0 3 350.511 2.111 40 0 FEABHN CN1CC[C@H](c2nn(CCNC(=O)Cc3ccccc3)c3ncccc23)C1 ZINC000019587917 539661906 /nfs/dbraw/zinc/66/19/06/539661906.db2.gz SYHCQZJYNGOOHE-KRWDZBQOSA-N 0 3 363.465 2.209 40 0 FEABHN C=Cn1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(C)n1 ZINC000019584236 539662261 /nfs/dbraw/zinc/66/22/61/539662261.db2.gz KWZSRXZMGHPFGV-PCCBWWKXSA-N 0 3 352.482 2.154 40 0 FEABHN C[N@@H+]1CCc2c(nc(C3CCN(C(=O)CC4CCCC4)CC3)[n-]c2=O)C1 ZINC000019590731 539663074 /nfs/dbraw/zinc/66/30/74/539663074.db2.gz OIXPEAZPWKGIOG-UHFFFAOYSA-N 0 3 358.486 2.456 40 0 FEABHN C[N@H+]1CCc2c(nc(C3CCN(C(=O)CC4CCCC4)CC3)[n-]c2=O)C1 ZINC000019590731 539663077 /nfs/dbraw/zinc/66/30/77/539663077.db2.gz OIXPEAZPWKGIOG-UHFFFAOYSA-N 0 3 358.486 2.456 40 0 FEABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccccc2C)CC3)C1 ZINC000019709480 539666326 /nfs/dbraw/zinc/66/63/26/539666326.db2.gz ZUOHMHIISLYWNH-LJQANCHMSA-N 0 3 367.497 2.371 40 0 FEABHN CC(=O)N1CCc2nnc(C3CCN(Cc4cccc(F)c4)CC3)n2CC1 ZINC000019709428 539666332 /nfs/dbraw/zinc/66/63/32/539666332.db2.gz IYCINTNOOOCEAB-UHFFFAOYSA-N 0 3 371.460 2.201 40 0 FEABHN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000026455891 539787203 /nfs/dbraw/zinc/78/72/03/539787203.db2.gz RAJUCPPXTNDBFL-SFHVURJKSA-N 0 3 373.453 2.352 40 0 FEABHN CNCC(=O)N1CCC[C@@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072383003 541803877 /nfs/dbraw/zinc/80/38/77/541803877.db2.gz ISQUGOWAIOPZNC-OAHLLOKOSA-N 0 3 354.458 2.157 40 0 FEABHN O=C1NC[C@H](COc2cccnc2)[C@]12CCN(Cc1ccccc1F)C2 ZINC000096218816 209137884 /nfs/dbraw/zinc/13/78/84/209137884.db2.gz KPCGULVZUKQGDQ-OXQOHEQNSA-N 0 3 355.413 2.238 40 0 FEABHN CCS(=O)(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccsc3)C2)O1 ZINC000096209110 209136399 /nfs/dbraw/zinc/13/63/99/209136399.db2.gz AJRHYIYCQXEUDP-HZPDHXFCSA-N 0 3 358.529 2.201 40 0 FEABHN CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013673007 220082941 /nfs/dbraw/zinc/08/29/41/220082941.db2.gz MNEJEMCQOJMCBW-KRWDZBQOSA-N 0 3 367.515 2.443 40 0 FEABHN CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000013673007 220082945 /nfs/dbraw/zinc/08/29/45/220082945.db2.gz MNEJEMCQOJMCBW-KRWDZBQOSA-N 0 3 367.515 2.443 40 0 FEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000073743139 541994776 /nfs/dbraw/zinc/99/47/76/541994776.db2.gz DXCQLQIJYQEFNL-CYBMUJFWSA-N 0 3 368.275 2.297 40 0 FEABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 ZINC000096065012 209106126 /nfs/dbraw/zinc/10/61/26/209106126.db2.gz QYXIRPYNGOWEOP-WMZOPIPTSA-N 0 3 352.500 2.338 40 0 FEABHN Cc1ccc2c(c1)CN(C(=O)c1ccnn1C)CC1(CCN(C)CC1)O2 ZINC000012365223 207366316 /nfs/dbraw/zinc/36/63/16/207366316.db2.gz OEAZKXDGAHICHJ-UHFFFAOYSA-N 0 3 354.454 2.228 40 0 FEABHN Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)s1 ZINC000096057494 209105357 /nfs/dbraw/zinc/10/53/57/209105357.db2.gz RPIXXJFWZIQNJJ-BRWVUGGUSA-N 0 3 350.484 2.037 40 0 FEABHN COCCO[C@H]1CCN(Cc2ccc(OC)cc2)[C@H]1Cc1cnn(C)c1 ZINC000096061642 209104380 /nfs/dbraw/zinc/10/43/80/209104380.db2.gz XHINSQSDJPBBIH-PMACEKPBSA-N 0 3 359.470 2.277 40 0 FEABHN CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCN(C)CC2)C1 ZINC000072395266 208846033 /nfs/dbraw/zinc/84/60/33/208846033.db2.gz HAQRXPPOWKUGBM-INIZCTEOSA-N 0 3 355.486 2.036 40 0 FEABHN Cc1ccc(CN2CCc3ncnc(N4CCN(C)CC4)c3CC2)s1 ZINC000096255675 132224523 /nfs/dbraw/zinc/22/45/23/132224523.db2.gz TUSFWHLRTBSUPH-UHFFFAOYSA-N 0 3 357.527 2.199 40 0 FEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575957 263374565 /nfs/dbraw/zinc/37/45/65/263374565.db2.gz GWESWVVAKDTQOU-FFZOFVMBSA-N 0 3 353.466 2.300 40 0 FEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218590638 548689010 /nfs/dbraw/zinc/68/90/10/548689010.db2.gz GZPIUKGUOFDJAC-XEZPLFJOSA-N 0 3 374.890 2.073 40 0 FEABHN CN(C)C(=O)CO[C@H]1CSC2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC000248064846 549404982 /nfs/dbraw/zinc/40/49/82/549404982.db2.gz ZQQMHWFOEZQNCE-OAHLLOKOSA-N 0 3 359.495 2.333 40 0 FEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000248095311 549407287 /nfs/dbraw/zinc/40/72/87/549407287.db2.gz XKWJJBLKOGPMKN-HUUCEWRRSA-N 0 3 356.470 2.232 40 0 FEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000248095311 549407288 /nfs/dbraw/zinc/40/72/88/549407288.db2.gz XKWJJBLKOGPMKN-HUUCEWRRSA-N 0 3 356.470 2.232 40 0 FEABHN COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514116 549672003 /nfs/dbraw/zinc/67/20/03/549672003.db2.gz BHPOCJHVOWCPCE-IPMKNSEASA-N 0 3 361.463 2.226 40 0 FEABHN Cc1ccc(CC(=O)N2CC[C@](O)(CN3CCC(F)(F)CC3)C2)s1 ZINC000257201671 549716987 /nfs/dbraw/zinc/71/69/87/549716987.db2.gz AINBLGBYMRCEDO-INIZCTEOSA-N 0 3 358.454 2.294 40 0 FEABHN CN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC000257255958 549722154 /nfs/dbraw/zinc/72/21/54/549722154.db2.gz KJOHGBJPMDKVAV-IBGZPJMESA-N 0 3 357.498 2.369 40 0 FEABHN CC(=O)N(C)[C@H]1CC2(CCN(Cc3cccs3)CC2)OC[C@]1(C)O ZINC000257284200 549723749 /nfs/dbraw/zinc/72/37/49/549723749.db2.gz PBSFDUWJJBMQAS-IRXDYDNUSA-N 0 3 352.500 2.101 40 0 FEABHN CNc1cc(C)nc([C@H]2CN(S(=O)(=O)c3cccs3)CCO2)c1 ZINC000257285716 549724526 /nfs/dbraw/zinc/72/45/26/549724526.db2.gz PILJBNGFKBBOCE-CQSZACIVSA-N 0 3 353.469 2.255 40 0 FEABHN O=C(N[C@H]1c2ncnn2CC[C@]12CCN(Cc1ccsc1)C2)C1CC1 ZINC000306124850 553748847 /nfs/dbraw/zinc/74/88/47/553748847.db2.gz CAUDVRRODXLDCL-YJBOKZPZSA-N 0 3 357.483 2.203 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306140038 553750648 /nfs/dbraw/zinc/75/06/48/553750648.db2.gz UHZNTWWLIZXWRK-GJZGRUSLSA-N 0 3 373.888 2.374 40 0 FEABHN CN(C)CCNc1nc(NCc2ccccc2F)cc(-c2ccncc2)n1 ZINC000329058355 553873143 /nfs/dbraw/zinc/87/31/43/553873143.db2.gz WCGNPVIKLWBUEP-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN CN1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCOCC1)C2 ZINC000585102604 571223023 /nfs/dbraw/zinc/22/30/23/571223023.db2.gz BWDBSYHVVRMWHG-HXUWFJFHSA-N 0 3 359.514 2.421 40 0 FEABHN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CNC2CCCC2)cc1 ZINC000004895845 539394818 /nfs/dbraw/zinc/39/48/18/539394818.db2.gz XCYWVLORRUNPAS-ZDUSSCGKSA-N 0 3 353.488 2.234 40 0 FEABHN Fc1ccccc1Cn1nnc2c1ncnc2NCCN1CCCCC1 ZINC000004985322 539398606 /nfs/dbraw/zinc/39/86/06/539398606.db2.gz YUZJSJHXBYERKM-UHFFFAOYSA-N 0 3 355.421 2.307 40 0 FEABHN CCOc1ccc(CN2CCC[C@H](Cc3nccnc3N)C2)cc1CO ZINC000257336778 210002620 /nfs/dbraw/zinc/00/26/20/210002620.db2.gz YPZQYMSNGGMBPV-OAHLLOKOSA-N 0 3 356.470 2.405 40 0 FEABHN CC(=O)NCCn1nc([C@@H]2CCN(CC3=CCCCC3)C2)c2nccnc21 ZINC000019021534 539650481 /nfs/dbraw/zinc/65/04/81/539650481.db2.gz AOHDXAWPCLRKCS-QGZVFWFLSA-N 0 3 368.485 2.252 40 0 FEABHN C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019078832 539651663 /nfs/dbraw/zinc/65/16/63/539651663.db2.gz LCSSFCCCGUEILS-UGSOOPFHSA-N 0 3 370.428 2.392 40 0 FEABHN CC(C)N1CCC(NC(=O)[C@@H]2[C@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000019447846 539657365 /nfs/dbraw/zinc/65/73/65/539657365.db2.gz SARSLTDONDRLRW-XGHQBKJUSA-N 0 3 369.465 2.063 40 0 FEABHN CC(C)N1CCC(NC(=O)[C@@H]2[C@@H]3C(=O)Nc4ccccc4C(=O)[C@]23C)CC1 ZINC000019447844 539657398 /nfs/dbraw/zinc/65/73/98/539657398.db2.gz SARSLTDONDRLRW-CSODHUTKSA-N 0 3 369.465 2.063 40 0 FEABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)cc1 ZINC000019554911 539661250 /nfs/dbraw/zinc/66/12/50/539661250.db2.gz DYVIRBBQLXKODE-INIZCTEOSA-N 0 3 354.454 2.368 40 0 FEABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)cc1 ZINC000019554911 539661255 /nfs/dbraw/zinc/66/12/55/539661255.db2.gz DYVIRBBQLXKODE-INIZCTEOSA-N 0 3 354.454 2.368 40 0 FEABHN Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019578334 539662468 /nfs/dbraw/zinc/66/24/68/539662468.db2.gz HCGIOKQEAKPDEJ-CDHQVMDDSA-N 0 3 354.498 2.188 40 0 FEABHN COc1ccccc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019590560 539663497 /nfs/dbraw/zinc/66/34/97/539663497.db2.gz AKWPUKFKYOLQGR-QGZVFWFLSA-N 0 3 352.438 2.450 40 0 FEABHN CCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C1CCN(C)CC1 ZINC000019664961 539665481 /nfs/dbraw/zinc/66/54/81/539665481.db2.gz PGUPFCCQAJYNOX-MRXNPFEDSA-N 0 3 373.497 2.299 40 0 FEABHN CCN(C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C1CCN(C)CC1 ZINC000019664957 539665596 /nfs/dbraw/zinc/66/55/96/539665596.db2.gz PGUPFCCQAJYNOX-INIZCTEOSA-N 0 3 373.497 2.299 40 0 FEABHN COC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000026455887 539787677 /nfs/dbraw/zinc/78/76/77/539787677.db2.gz RAJUCPPXTNDBFL-GOSISDBHSA-N 0 3 373.453 2.352 40 0 FEABHN COc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107728311 209278336 /nfs/dbraw/zinc/27/83/36/209278336.db2.gz GQGJJUPTGWJLGK-APWZRJJASA-N 0 3 358.417 2.470 40 0 FEABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)c2cccnc2)C1 ZINC000072354474 541801263 /nfs/dbraw/zinc/80/12/63/541801263.db2.gz CRBGHOPWXSOFRO-LJQANCHMSA-N 0 3 353.466 2.345 40 0 FEABHN CC(=O)N1CCC(N2CCC[C@H]2c2cncc(-n3ccnc3C)n2)CC1 ZINC000072378813 541802800 /nfs/dbraw/zinc/80/28/00/541802800.db2.gz GBDMFJKADSUKQL-SFHVURJKSA-N 0 3 354.458 2.119 40 0 FEABHN CC(C)Nc1nc2c(c(NC3CC3)n1)CCN(Cc1cnn(C)c1)CC2 ZINC000096254619 209145378 /nfs/dbraw/zinc/14/53/78/209145378.db2.gz HOIUAAMQOYAJCA-UHFFFAOYSA-N 0 3 355.490 2.206 40 0 FEABHN COCCN1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260620 209146443 /nfs/dbraw/zinc/14/64/43/209146443.db2.gz YFEUTPKWMVBOAX-UHFFFAOYSA-N 0 3 372.513 2.187 40 0 FEABHN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1cccnc1)CC2 ZINC000096260338 209146169 /nfs/dbraw/zinc/14/61/69/209146169.db2.gz NTQNPGPUIGVDQA-UHFFFAOYSA-N 0 3 367.497 2.282 40 0 FEABHN COCCN1CC2(CCN(Cc3cccs3)CC2)[C@@H](COC)C1=O ZINC000096209083 209136544 /nfs/dbraw/zinc/13/65/44/209136544.db2.gz DTQOTOODVWICLG-INIZCTEOSA-N 0 3 352.500 2.082 40 0 FEABHN COc1cc(CN2C[C@@H]3COC[C@]3(Cc3nc(C)no3)C2)cc(OC)c1 ZINC000096206612 209134988 /nfs/dbraw/zinc/13/49/88/209134988.db2.gz DKOYLUGNOCGNLO-BEFAXECRSA-N 0 3 359.426 2.086 40 0 FEABHN Cc1ccc2c(c1)C1(CN2C(=O)CN(C)C)CCN([C@H]2CCOC2)CC1 ZINC000096160996 209127586 /nfs/dbraw/zinc/12/75/86/209127586.db2.gz JMYCTKOCGCXLSA-KRWDZBQOSA-N 0 3 357.498 2.026 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@]3(COCCN(C)C)C2)o1 ZINC000096065022 209106422 /nfs/dbraw/zinc/10/64/22/209106422.db2.gz XBVWMCKJGOVCFR-IEBWSBKVSA-N 0 3 350.459 2.178 40 0 FEABHN O=C(CNCCCN1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000035311423 207131500 /nfs/dbraw/zinc/13/15/00/207131500.db2.gz JAACMMWBXQFHKL-UHFFFAOYSA-N 0 3 374.529 2.317 40 0 FEABHN CC(=O)N1CCc2nnc(C3CCN(Cc4ccc(F)cc4)CC3)n2CC1 ZINC000019708973 207699083 /nfs/dbraw/zinc/69/90/83/207699083.db2.gz NYQFRKSAZKSQCJ-UHFFFAOYSA-N 0 3 371.460 2.201 40 0 FEABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096047829 209100706 /nfs/dbraw/zinc/10/07/06/209100706.db2.gz UVMPEXJMZDFIOL-KRWDZBQOSA-N 0 3 350.434 2.054 40 0 FEABHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@@H]21 ZINC000096043513 209100123 /nfs/dbraw/zinc/10/01/23/209100123.db2.gz OUROXTGYHCJDTR-GUDVDZBRSA-N 0 3 355.438 2.218 40 0 FEABHN Cc1occc1C(=O)N1CC[C@H]2OCCC[C@@]2(COCCN(C)C)C1 ZINC000096039534 209097609 /nfs/dbraw/zinc/09/76/09/209097609.db2.gz GBBGCHHUUPUUDK-MJGOQNOKSA-N 0 3 350.459 2.178 40 0 FEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 ZINC000096112749 542992148 /nfs/dbraw/zinc/99/21/48/542992148.db2.gz TXKQZROOXHXNRV-HNNXBMFYSA-N 0 3 352.394 2.079 40 0 biogenic,in-vitro FEABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNC(C)(C)CO)o2)c1 ZINC000006883160 263348058 /nfs/dbraw/zinc/34/80/58/263348058.db2.gz BLDPZUXDHZYHDJ-UHFFFAOYSA-N 0 3 361.394 2.380 40 0 FEABHN COC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218096940 548685271 /nfs/dbraw/zinc/68/52/71/548685271.db2.gz BHPOCJHVOWCPCE-CEXWTWQISA-N 0 3 361.463 2.226 40 0 FEABHN NCC1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218549420 548687935 /nfs/dbraw/zinc/68/79/35/548687935.db2.gz RSMHNGGAKPYTCE-HOTGVXAUSA-N 0 3 368.861 2.323 40 0 FEABHN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN(C)C)cc1 ZINC000223096221 548715781 /nfs/dbraw/zinc/71/57/81/548715781.db2.gz SSJGSZJMBNVMIH-LGMDPLHJSA-N 0 3 373.478 2.205 40 0 FEABHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCCC1)CCCC2 ZINC000224082741 548727587 /nfs/dbraw/zinc/72/75/87/548727587.db2.gz CRFQORIQYVQZRK-UHFFFAOYSA-N 0 3 352.500 2.338 40 0 FEABHN CSc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1NC(C)=O ZINC000225573520 548738088 /nfs/dbraw/zinc/73/80/88/548738088.db2.gz AOWLBEZBHLYOBI-UHFFFAOYSA-N 0 3 371.528 2.131 40 0 FEABHN CN(C)c1nc([C@@H]2CCCCN2CC2(O)CCOCC2)cn2cccc12 ZINC000257259918 549722245 /nfs/dbraw/zinc/72/22/45/549722245.db2.gz LAQYKWZSOVZLDZ-KRWDZBQOSA-N 0 3 358.486 2.469 40 0 FEABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cc2ccsc2)C1 ZINC000257288947 549725049 /nfs/dbraw/zinc/72/50/49/549725049.db2.gz PWJQECNXVSFOAX-LJQANCHMSA-N 0 3 359.495 2.171 40 0 FEABHN COc1cc(OC)cc(C(=O)N2CC[C@@H](c3ncc(CN(C)C)[nH]3)C2)c1 ZINC000257301618 549725154 /nfs/dbraw/zinc/72/51/54/549725154.db2.gz RZDKQWKXRZHLOC-CYBMUJFWSA-N 0 3 358.442 2.118 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@@H]1C2 ZINC000306133246 553749748 /nfs/dbraw/zinc/74/97/48/553749748.db2.gz MGRMYTMTVZARBT-DLBZAZTESA-N 0 3 374.448 2.230 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306137395 553750329 /nfs/dbraw/zinc/75/03/29/553750329.db2.gz QVGNWNQHLQSTCT-CVEARBPZSA-N 0 3 363.421 2.428 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2F)cc(-c2ccncc2)n1 ZINC000328995135 553860865 /nfs/dbraw/zinc/86/08/65/553860865.db2.gz JGMOJCXVJGLFEN-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CN(C)CCNc1nc(Nc2c(F)cccc2F)cc(-c2ccncc2)n1 ZINC000329028516 553867037 /nfs/dbraw/zinc/86/70/37/553867037.db2.gz PVIAURDRQGQPOS-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN COc1ccccc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329051433 210134034 /nfs/dbraw/zinc/13/40/34/210134034.db2.gz UXDCDUSKFFVUIV-UHFFFAOYSA-N 0 3 364.453 2.108 40 0 FEABHN Cc1ccccc1CNc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329059054 210133098 /nfs/dbraw/zinc/13/30/98/210133098.db2.gz WFGTWCSQWIBYOA-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306140040 210055196 /nfs/dbraw/zinc/05/51/96/210055196.db2.gz UHZNTWWLIZXWRK-LSDHHAIUSA-N 0 3 373.888 2.374 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccncc3)C[C@H]1C2 ZINC000306133247 210054570 /nfs/dbraw/zinc/05/45/70/210054570.db2.gz MGRMYTMTVZARBT-IAGOWNOFSA-N 0 3 374.448 2.230 40 0 FEABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(NC(=O)N2CCOCC2)C3)cc1 ZINC000035291745 539979750 /nfs/dbraw/zinc/97/97/50/539979750.db2.gz ZVQSWBYJPRKCNG-AYHJJNSGSA-N 0 3 359.470 2.232 40 0 FEABHN NCC(=O)N1CC[C@H]2[C@@H]1CCCC(=O)N2Cc1ccccc1C(F)(F)F ZINC000257237444 223032474 /nfs/dbraw/zinc/03/24/74/223032474.db2.gz HGMNMVSSYVUVEF-GJZGRUSLSA-N 0 3 369.387 2.146 40 0 FEABHN Cc1cc(N(C)C)cc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1 ZINC000257293254 223053534 /nfs/dbraw/zinc/05/35/34/223053534.db2.gz QOSSJDIDRZBTDD-KRWDZBQOSA-N 0 3 353.488 2.102 40 0 FEABHN N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccnc3nccn32)C1 ZINC000072360634 541802049 /nfs/dbraw/zinc/80/20/49/541802049.db2.gz PILMTQFWRSNISG-NVXWUHKLSA-N 0 3 367.428 2.144 40 0 FEABHN CC(=O)N1CCC(N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)CC1 ZINC000072378814 541803565 /nfs/dbraw/zinc/80/35/65/541803565.db2.gz GBDMFJKADSUKQL-GOSISDBHSA-N 0 3 354.458 2.119 40 0 FEABHN CNCC(=O)N1CCC[C@@H](CCc2ccnc(Nc3cnccn3)c2)C1 ZINC000072383025 541804005 /nfs/dbraw/zinc/80/40/05/541804005.db2.gz FHFZEPOXCBMMRR-INIZCTEOSA-N 0 3 354.458 2.006 40 0 FEABHN CCOc1cc2c(cc1CN[C@@H]1COC[C@H]1Cc1cc(C)no1)OCO2 ZINC000072395124 541804209 /nfs/dbraw/zinc/80/42/09/541804209.db2.gz OCEYNQSTGVSCKK-GDBMZVCRSA-N 0 3 360.410 2.458 40 0 FEABHN O=C(c1cc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380525 541803132 /nfs/dbraw/zinc/80/31/32/541803132.db2.gz TWCRDULNNKDWPE-MRXNPFEDSA-N 0 3 372.444 2.401 40 0 FEABHN CN(C)C[C@@H]1CCCCN1C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC000019581938 211238391 /nfs/dbraw/zinc/23/83/91/211238391.db2.gz OEIBYKTXNDDOBI-LBPRGKRZSA-N 0 3 358.408 2.333 40 0 FEABHN COc1ccc(C2(CN3CCC(NC(=O)[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000019553637 211230026 /nfs/dbraw/zinc/23/00/26/211230026.db2.gz IITARMMNHWNTGG-IBGZPJMESA-N 0 3 358.482 2.486 40 0 FEABHN CCCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C ZINC000019525960 211228819 /nfs/dbraw/zinc/22/88/19/211228819.db2.gz LDAPFWJYXBYEFZ-FDFHNCONSA-N 0 3 368.525 2.464 40 0 FEABHN CC(=O)N1CCC(N2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169876 221020665 /nfs/dbraw/zinc/02/06/65/221020665.db2.gz FXHIRPLLLBXSHX-KRWDZBQOSA-N 0 3 354.454 2.461 40 0 biogenic,in-vitro FEABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413475 542516601 /nfs/dbraw/zinc/51/66/01/542516601.db2.gz QLLYXHXOZWISSL-MSOLQXFVSA-N 0 3 359.470 2.372 40 0 FEABHN C[C@H](CNC(=O)CN1C(=O)COc2c(Cl)cccc21)N1CCCCC1 ZINC000072390304 136144764 /nfs/dbraw/zinc/14/47/64/136144764.db2.gz YTDSIMNNTIKVIH-CYBMUJFWSA-N 0 3 365.861 2.056 40 0 FEABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=CCCCC1)C2 ZINC000096039586 542988449 /nfs/dbraw/zinc/98/84/49/542988449.db2.gz LENVXRIJQVSSEP-QUCCMNQESA-N 0 3 350.503 2.463 40 0 FEABHN CN1C[C@@H](COCC2CC2)[C@H]2CCN(Cc3ccccn3)CC[C@H]2C1=O ZINC000096043538 542989459 /nfs/dbraw/zinc/98/94/59/542989459.db2.gz RFUVTTNNGAWMCL-DFQSSKMNSA-N 0 3 357.498 2.425 40 0 FEABHN COc1ccccc1CN1CCC2(CC1)C[C@@H](NC(=O)N(C)C)CCO2 ZINC000108527150 543292435 /nfs/dbraw/zinc/29/24/35/543292435.db2.gz VPUKUQHTCFVQTI-KRWDZBQOSA-N 0 3 361.486 2.480 40 0 FEABHN Cn1cncc1CN1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108527042 543292572 /nfs/dbraw/zinc/29/25/72/543292572.db2.gz MCFJMIFTRJISPY-FQEVSTJZSA-N 0 3 353.470 2.220 40 0 FEABHN CS(=O)(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 ZINC000096112771 222030128 /nfs/dbraw/zinc/03/01/28/222030128.db2.gz AIDHXIVQNXZEGO-HNNXBMFYSA-N 0 3 371.462 2.301 40 0 biogenic,in-vitro FEABHN CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056001 222004328 /nfs/dbraw/zinc/00/43/28/222004328.db2.gz JDXJYVIXNTUACX-WMZOPIPTSA-N 0 3 350.484 2.372 40 0 FEABHN CCOC(=O)[C@@]12CN(C(C)=O)C[C@@H]1CN(Cc1ccc(OC)cc1)CCC2 ZINC000096056007 222005703 /nfs/dbraw/zinc/00/57/03/222005703.db2.gz FDBIIJWYIMCIMP-RXVVDRJESA-N 0 3 374.481 2.319 40 0 FEABHN COCCN1CCC2(CC1)C[C@H](NC(=O)c1cnc[nH]1)c1ccccc1O2 ZINC000096079794 222016172 /nfs/dbraw/zinc/01/61/72/222016172.db2.gz XBQAYHLURSIAMX-INIZCTEOSA-N 0 3 370.453 2.144 40 0 FEABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2)C1CC1 ZINC000096208767 222077471 /nfs/dbraw/zinc/07/74/71/222077471.db2.gz NBNFPDHQYVLZAJ-UTKZUKDTSA-N 0 3 351.450 2.209 40 0 FEABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)N4CCOCC4)C3)C2)c1 ZINC000096215696 222081532 /nfs/dbraw/zinc/08/15/32/222081532.db2.gz XEHCPFCRRNHVOP-NRFANRHFSA-N 0 3 373.497 2.435 40 0 FEABHN COc1ccc(CN2CCC3(CC2)C(=O)N(C)CCN3CC(C)C)cc1 ZINC000096230258 222091736 /nfs/dbraw/zinc/09/17/36/222091736.db2.gz PRJKWQSRSKWUNV-UHFFFAOYSA-N 0 3 359.514 2.460 40 0 FEABHN O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257226365 534467897 /nfs/dbraw/zinc/46/78/97/534467897.db2.gz FKIVBIFWYXSEFG-SFHVURJKSA-N 0 3 352.425 2.314 40 0 FEABHN NC[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218058163 548683333 /nfs/dbraw/zinc/68/33/33/548683333.db2.gz MOCLUVQWQPIJMY-IKGGRYGDSA-N 0 3 351.855 2.217 40 0 FEABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218410602 548686510 /nfs/dbraw/zinc/68/65/10/548686510.db2.gz WFMPCWCTXNIOTK-RBUKOAKNSA-N 0 3 358.507 2.401 40 0 FEABHN NCC1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000218549491 548687736 /nfs/dbraw/zinc/68/77/36/548687736.db2.gz RSMHNGGAKPYTCE-HZPDHXFCSA-N 0 3 368.861 2.323 40 0 FEABHN NC[C@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218663640 548688603 /nfs/dbraw/zinc/68/86/03/548688603.db2.gz KVNGUSYHLWIQQR-JYJNAYRXSA-N 0 3 354.834 2.075 40 0 FEABHN Cc1ccc(CNc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1 ZINC000329067956 210135045 /nfs/dbraw/zinc/13/50/45/210135045.db2.gz YKUSOFBBILGDRR-UHFFFAOYSA-N 0 3 353.392 2.233 40 0 FEABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306141923 210058116 /nfs/dbraw/zinc/05/81/16/210058116.db2.gz WKDNTIRTICZWRY-UHFFFAOYSA-N 0 3 371.510 2.460 40 0 FEABHN Cc1nnsc1C(=O)N[C@H]1CCCC[C@]12CN(CC(C)C)CCO2 ZINC000306138014 210055618 /nfs/dbraw/zinc/05/56/18/210055618.db2.gz RMPBTZSXHQRNAO-YOEHRIQHSA-N 0 3 352.504 2.246 40 0 FEABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccc4ccccc4n3)O2)C1 ZINC000306137863 210056434 /nfs/dbraw/zinc/05/64/34/210056434.db2.gz RIODOFNKROMGRB-CTNGQTDRSA-N 0 3 369.465 2.121 40 0 FEABHN CC(C)NC(=O)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306131660 210052835 /nfs/dbraw/zinc/05/28/35/210052835.db2.gz KLKVWIFLQOIZQW-HUUCEWRRSA-N 0 3 373.888 2.374 40 0 FEABHN CN1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)N2CCCC2)C1 ZINC000306128164 210052294 /nfs/dbraw/zinc/05/22/94/210052294.db2.gz GSOWVZZFIBRYOF-QGZVFWFLSA-N 0 3 350.466 2.413 40 0 FEABHN Cn1cc(CN2CC[C@@]3(CCC[C@H]3C(=O)NC3CC(F)(F)C3)C2)cn1 ZINC000306127596 210052309 /nfs/dbraw/zinc/05/23/09/210052309.db2.gz GCZKBJSZAQCUAL-RDJZCZTQSA-N 0 3 352.429 2.326 40 0 FEABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccnc2)CN(C)C(=O)C1 ZINC000096113427 291048880 /nfs/dbraw/zinc/04/88/80/291048880.db2.gz OIBDOBXATVZHBB-QZTJIDSGSA-N 0 3 360.502 2.057 40 0 biogenic,in-vitro FEABHN Cc1c2ccccc2oc1C(=O)N1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000072373946 541803549 /nfs/dbraw/zinc/80/35/49/541803549.db2.gz SERLMKVOEYLENP-AWEZNQCLSA-N 0 3 351.410 2.413 40 0 FEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000073743144 541995073 /nfs/dbraw/zinc/99/50/73/541995073.db2.gz DXCQLQIJYQEFNL-ZDUSSCGKSA-N 0 3 368.275 2.297 40 0 FEABHN CN1CCC2(CC1)CN(CC(=O)NC1CCCC1)C(=O)c1ccccc1O2 ZINC000019588388 211236881 /nfs/dbraw/zinc/23/68/81/211236881.db2.gz KSAZLJDEGNNGSO-UHFFFAOYSA-N 0 3 371.481 2.044 40 0 FEABHN CN1CCc2nc([C@H]3CCCN3C(=O)COc3ccccc3F)ncc2C1 ZINC000019590519 211241164 /nfs/dbraw/zinc/24/11/64/211241164.db2.gz SUZLCXQETHYOBU-QGZVFWFLSA-N 0 3 370.428 2.346 40 0 FEABHN CN1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)ncc2C1 ZINC000019590357 211241255 /nfs/dbraw/zinc/24/12/55/211241255.db2.gz WOZWSYHOAWWLSB-GOSISDBHSA-N 0 3 372.494 2.380 40 0 FEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 ZINC000019572962 211235151 /nfs/dbraw/zinc/23/51/51/211235151.db2.gz YUAQQNHDHZQIGH-YJBOKZPZSA-N 0 3 368.485 2.250 40 0 FEABHN COc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019554301 211230393 /nfs/dbraw/zinc/23/03/93/211230393.db2.gz WHVSTVRTIFOSDH-SFHVURJKSA-N 0 3 352.438 2.037 40 0 FEABHN COc1ccc(CCC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019554572 211230087 /nfs/dbraw/zinc/23/00/87/211230087.db2.gz JNQQNMAXKXETQO-IBGZPJMESA-N 0 3 366.465 2.427 40 0 FEABHN CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C ZINC000019523985 211227841 /nfs/dbraw/zinc/22/78/41/211227841.db2.gz QFMYVARFZYXRAY-PCCBWWKXSA-N 0 3 354.498 2.074 40 0 FEABHN CCc1[nH]nc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1C ZINC000019520954 211226729 /nfs/dbraw/zinc/22/67/29/211226729.db2.gz LZHZNGOHXGQSAR-KRWDZBQOSA-N 0 3 368.485 2.426 40 0 FEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C2)c1 ZINC000257210250 533047326 /nfs/dbraw/zinc/04/73/26/533047326.db2.gz BTUJTPRFGHXQHB-HNNXBMFYSA-N 0 3 353.426 2.415 40 0 FEABHN COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107728307 543276897 /nfs/dbraw/zinc/27/68/97/543276897.db2.gz GQGJJUPTGWJLGK-VQIMIIECSA-N 0 3 358.417 2.470 40 0 FEABHN CN1CCC(N2C[C@@H](F)[C@@H](OCc3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000096112223 222029411 /nfs/dbraw/zinc/02/94/11/222029411.db2.gz UUWZANPCRJEWDX-PBHICJAKSA-N 0 3 350.413 2.335 40 0 biogenic,in-vitro FEABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21)N1CCCCO1 ZINC000096057294 222005810 /nfs/dbraw/zinc/00/58/10/222005810.db2.gz GTMBNFSLMCNABJ-LMMKCTJWSA-N 0 3 362.445 2.464 40 0 FEABHN COc1ccc(CN2CCC3(CC2)[C@H](c2cnn(C)c2)CC(=O)N3C)cc1 ZINC000096061524 222008822 /nfs/dbraw/zinc/00/88/22/222008822.db2.gz IZHVRKRWQAODFG-IBGZPJMESA-N 0 3 368.481 2.409 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@]3(COCCN(C)C)C2)o1 ZINC000096065023 222010659 /nfs/dbraw/zinc/01/06/59/222010659.db2.gz XBVWMCKJGOVCFR-PKOBYXMFSA-N 0 3 350.459 2.178 40 0 FEABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(Cc1ccc(F)cc1)C2 ZINC000096086945 222017820 /nfs/dbraw/zinc/01/78/20/222017820.db2.gz AJJRBBZQJUCDDZ-INIZCTEOSA-N 0 3 361.465 2.115 40 0 FEABHN CC(C)CN1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)Nc1ccccc1 ZINC000096251075 222099887 /nfs/dbraw/zinc/09/98/87/222099887.db2.gz WCBAQFWEFRKYMO-BRWVUGGUSA-N 0 3 350.484 2.016 40 0 FEABHN Cc1noc(C)c1CN1CCC2(CCN(C(=O)c3cnccn3)C2)CC1 ZINC000096157506 222057675 /nfs/dbraw/zinc/05/76/75/222057675.db2.gz JJIMDCZIQDAKEM-UHFFFAOYSA-N 0 3 355.442 2.210 40 0 FEABHN CCOc1ccsc1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096205904 222077055 /nfs/dbraw/zinc/07/70/55/222077055.db2.gz FHUDJXZONHBKSJ-GOEBONIOSA-N 0 3 350.484 2.330 40 0 FEABHN COCCN1CC2(CCN(Cc3cccs3)CC2)[C@H](COC)C1=O ZINC000096209082 222077835 /nfs/dbraw/zinc/07/78/35/222077835.db2.gz DTQOTOODVWICLG-MRXNPFEDSA-N 0 3 352.500 2.082 40 0 FEABHN CCCS(=O)(=O)N1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC000096221048 222085440 /nfs/dbraw/zinc/08/54/40/222085440.db2.gz ASGPTVVMYVMJLF-SFHVURJKSA-N 0 3 366.527 2.482 40 0 FEABHN Cc1ccc(N2CCOC[C@]3(CCCN(Cc4ccncc4)C3)C2)nn1 ZINC000096229182 222091752 /nfs/dbraw/zinc/09/17/52/222091752.db2.gz AEYXNFRLGARBDQ-FQEVSTJZSA-N 0 3 353.470 2.299 40 0 FEABHN c1ncc(CN2CCC[C@H](Cc3cc(Nc4cnccn4)ncn3)C2)[nH]1 ZINC000257312532 534527689 /nfs/dbraw/zinc/52/76/89/534527689.db2.gz UOKAJHDCEGUEGC-CQSZACIVSA-N 0 3 350.430 2.188 40 0 FEABHN NCC1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000218057949 548683311 /nfs/dbraw/zinc/68/33/11/548683311.db2.gz LKQRYSGABRKABZ-HZPDHXFCSA-N 0 3 350.871 2.184 40 0 FEABHN CC(C)(C)OC(=O)N[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218000809 548683639 /nfs/dbraw/zinc/68/36/39/548683639.db2.gz FMUNLIWMPFARMS-WFASDCNBSA-N 0 3 360.863 2.108 40 0 FEABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(CN)CN)cc1 ZINC000218410358 548686327 /nfs/dbraw/zinc/68/63/27/548686327.db2.gz WFMPCWCTXNIOTK-MOPGFXCFSA-N 0 3 358.507 2.401 40 0 FEABHN Cc1cc(CN2CC3(C2)C[C@H](COCc2cccnc2)CCN3C)no1 ZINC000248152513 549411999 /nfs/dbraw/zinc/41/19/99/549411999.db2.gz UQMUOASQZAIKDV-QGZVFWFLSA-N 0 3 356.470 2.491 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2)cc(-c2ccncc2)n1 ZINC000328955958 571128511 /nfs/dbraw/zinc/12/85/11/571128511.db2.gz AFENWLHAWQXPJY-UHFFFAOYSA-N 0 3 350.426 2.961 40 0 FEABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3C[C@H]3CCCO3)CC2)cn1 ZINC000585099825 571221945 /nfs/dbraw/zinc/22/19/45/571221945.db2.gz CZURMTBYVSKEDG-QUCCMNQESA-N 0 3 360.502 2.429 40 0 FEABHN CN(C)CCNC(=O)CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O ZINC000054360968 210069016 /nfs/dbraw/zinc/06/90/16/210069016.db2.gz BBVGSZXAKXDHQG-LCYFTJDESA-N 0 3 367.858 2.054 40 0 FEABHN COc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366060 539556506 /nfs/dbraw/zinc/55/65/06/539556506.db2.gz ZVIUSRGZALYVBV-HTZLVSCSSA-N 0 3 369.465 2.118 40 0 FEABHN CN(C)c1ccc(-c2noc([C@@H]3CCCN3C3CCN(C)CC3)n2)cn1 ZINC000035426260 539982358 /nfs/dbraw/zinc/98/23/58/539982358.db2.gz RJATZPHACCDICP-INIZCTEOSA-N 0 3 356.474 2.429 40 0 biogenic,in-vitro FEABHN CN(CCOc1ccc(CC2SC(=N)NC2=O)cc1)c1ccccn1 ZINC000038339130 539998194 /nfs/dbraw/zinc/99/81/94/539998194.db2.gz VQDBYZBZMGVIOT-OAHLLOKOSA-N 0 3 356.451 2.306 40 0 FEABHN CN(C)C(=O)CO[C@@H]1CSC2(CN(Cc3cccc4[nH]ccc43)C2)C1 ZINC000248064839 222960803 /nfs/dbraw/zinc/96/08/03/222960803.db2.gz ZQQMHWFOEZQNCE-HNNXBMFYSA-N 0 3 359.495 2.333 40 0 FEABHN CC(=O)N1CCN(Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000072355059 541801291 /nfs/dbraw/zinc/80/12/91/541801291.db2.gz ZQQBMNSROWFKPU-LJQANCHMSA-N 0 3 367.497 2.066 40 0 FEABHN COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019569859 211236577 /nfs/dbraw/zinc/23/65/77/211236577.db2.gz DEKDBCQKAPUFRF-GOSISDBHSA-N 0 3 366.465 2.427 40 0 FEABHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cccn2nnnc12 ZINC000019654949 211242152 /nfs/dbraw/zinc/24/21/52/211242152.db2.gz MEHFSQAAGJPYFK-KRWDZBQOSA-N 0 3 350.426 2.081 40 0 FEABHN CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)n[nH]1 ZINC000019451881 211223349 /nfs/dbraw/zinc/22/33/49/211223349.db2.gz RDTSOZJZWSAPLZ-HNNXBMFYSA-N 0 3 354.458 2.336 40 0 FEABHN CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)[nH]n1 ZINC000019451895 211222657 /nfs/dbraw/zinc/22/26/57/211222657.db2.gz XBYLRLJYUSDECW-AWEZNQCLSA-N 0 3 368.485 2.331 40 0 FEABHN CCN1CCC[C@@H]1CN(Cc1cnc(N(C)C)nc1)Cc1ccccn1 ZINC000019527173 211227438 /nfs/dbraw/zinc/22/74/38/211227438.db2.gz DNUKALOVANUHOD-LJQANCHMSA-N 0 3 354.502 2.424 40 0 FEABHN CCCc1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)no1 ZINC000019525315 211227262 /nfs/dbraw/zinc/22/72/62/211227262.db2.gz KBARJZLCOJIYEW-CQSZACIVSA-N 0 3 369.469 2.425 40 0 FEABHN O=C(c1n[nH]c2c1CCCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019292320 211214698 /nfs/dbraw/zinc/21/46/98/211214698.db2.gz XDWWVJPQIQGTCI-KRWDZBQOSA-N 0 3 366.469 2.092 40 0 FEABHN CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 ZINC000000920639 210289917 /nfs/dbraw/zinc/28/99/17/210289917.db2.gz VHZYBAABCGBZHM-SFHVURJKSA-N 0 3 369.396 2.248 40 0 FEABHN C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000096006252 542987399 /nfs/dbraw/zinc/98/73/99/542987399.db2.gz MWLOMEODXVISNB-GJZGRUSLSA-N 0 3 367.515 2.156 40 0 FEABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3cccnc3)C[C@H]21 ZINC000096043367 542988073 /nfs/dbraw/zinc/98/80/73/542988073.db2.gz DQVYHAHQWIXZRT-CEXWTWQISA-N 0 3 352.438 2.342 40 0 FEABHN O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1 ZINC000096043030 542988330 /nfs/dbraw/zinc/98/83/30/542988330.db2.gz WVTWYKOOEQVTLY-RRQGHBQHSA-N 0 3 350.484 2.023 40 0 FEABHN Cc1ncc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)cn1 ZINC000108526221 543292431 /nfs/dbraw/zinc/29/24/31/543292431.db2.gz UUAKZWFJHFAATR-KRWDZBQOSA-N 0 3 354.458 2.201 40 0 FEABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 ZINC000096065013 222010406 /nfs/dbraw/zinc/01/04/06/222010406.db2.gz QYXIRPYNGOWEOP-FUHWJXTLSA-N 0 3 352.500 2.338 40 0 FEABHN O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096239027 222094096 /nfs/dbraw/zinc/09/40/96/222094096.db2.gz UHJJWYBQRBSQQG-FQEVSTJZSA-N 0 3 351.406 2.439 40 0 FEABHN CNC(=O)c1cc2c(nc1NC(C)C)CCN(Cc1c(C)noc1C)CC2 ZINC000096260410 222103049 /nfs/dbraw/zinc/10/30/49/222103049.db2.gz ONLKLZMPEMFWSC-UHFFFAOYSA-N 0 3 371.485 2.467 40 0 FEABHN Cn1cccc1CN1CC[C@]2(C1)CCCN(C(=O)Cc1cccnc1)C2 ZINC000096158212 222058872 /nfs/dbraw/zinc/05/88/72/222058872.db2.gz QPMFNQKUSYWGBM-NRFANRHFSA-N 0 3 352.482 2.477 40 0 FEABHN COCC(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)O1 ZINC000096206588 222077151 /nfs/dbraw/zinc/07/71/51/222077151.db2.gz QFDAJERANCJLQC-PKOBYXMFSA-N 0 3 350.434 2.102 40 0 FEABHN Cn1cc(CN2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)cn1 ZINC000096209782 222080406 /nfs/dbraw/zinc/08/04/06/222080406.db2.gz PTMNSILBHOVPOA-LJQANCHMSA-N 0 3 356.470 2.403 40 0 FEABHN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2CCOCc2ccccc2)O1)N1CCCC1 ZINC000107207120 222391684 /nfs/dbraw/zinc/39/16/84/222391684.db2.gz KJXJRDFEKDKUEQ-AQNXPRMDSA-N 0 3 358.482 2.448 40 0 FEABHN CC(=O)N1CCC(N2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)CC1 ZINC000257341651 526540175 /nfs/dbraw/zinc/54/01/75/526540175.db2.gz ZLHJPABXGUBRCF-SFTDATJTSA-N 0 3 358.482 2.448 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218393311 548686349 /nfs/dbraw/zinc/68/63/49/548686349.db2.gz TWABFINPXPMDFF-IRXDYDNUSA-N 0 3 364.898 2.492 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218393210 548686858 /nfs/dbraw/zinc/68/68/58/548686858.db2.gz TWABFINPXPMDFF-DLBZAZTESA-N 0 3 364.898 2.492 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(N)CN)cc1 ZINC000218575552 548688062 /nfs/dbraw/zinc/68/80/62/548688062.db2.gz IKTCSXCRBBOLAE-ULQDDVLXSA-N 0 3 350.871 2.244 40 0 FEABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)ccc1C ZINC000223236770 548717451 /nfs/dbraw/zinc/71/74/51/548717451.db2.gz AYXXXLAJIDZWNM-CQSZACIVSA-N 0 3 368.499 2.182 40 0 FEABHN OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223566652 548721898 /nfs/dbraw/zinc/72/18/98/548721898.db2.gz ZZENTZKJTQIXBD-QZTJIDSGSA-N 0 3 365.462 2.232 40 0 FEABHN NC[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252515682 549672115 /nfs/dbraw/zinc/67/21/15/549672115.db2.gz MOCLUVQWQPIJMY-BBWFWOEESA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)s1 ZINC000306123066 553748283 /nfs/dbraw/zinc/74/82/83/553748283.db2.gz ADUNTFWRRBNTIT-KBAYOESNSA-N 0 3 357.479 2.328 40 0 FEABHN CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585283611 570493107 /nfs/dbraw/zinc/49/31/07/570493107.db2.gz SMJSHPICNIBQKI-IBGZPJMESA-N 0 3 350.434 2.042 40 0 FEABHN O=C(Cc1ccccc1F)N1Cc2ccnn2CC[C@H]1CN1CCCC1 ZINC000585098068 571220678 /nfs/dbraw/zinc/22/06/78/571220678.db2.gz SYSLSIWIVTYTSD-KRWDZBQOSA-N 0 3 356.445 2.462 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@H](O)C4)C3)CC2)cc1 ZINC000585103582 571222325 /nfs/dbraw/zinc/22/23/25/571222325.db2.gz HNEUMEMGYIVLCC-OALUTQOASA-N 0 3 358.482 2.073 40 0 FEABHN CN(C)CCNc1nc(NCc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000328971298 210127633 /nfs/dbraw/zinc/12/76/33/210127633.db2.gz DQANSCSTPNPZRI-UHFFFAOYSA-N 0 3 366.444 2.107 40 0 FEABHN CCOC(=O)C1=C([O-])NC(N2CCC(C)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000008559809 539489398 /nfs/dbraw/zinc/48/93/98/539489398.db2.gz CGAHEZWJOBJDIX-CVEARBPZSA-N 0 3 361.417 2.264 40 0 FEABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 ZINC000306134995 210054374 /nfs/dbraw/zinc/05/43/74/210054374.db2.gz OEAYQDPWOIWVGO-FXAWDEMLSA-N 0 3 357.454 2.120 40 0 FEABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019500943 539658630 /nfs/dbraw/zinc/65/86/30/539658630.db2.gz KWAUXDRUIIMFQG-SJLPKXTDSA-N 0 3 371.529 2.093 40 0 FEABHN CC(=O)N1CCC[C@@H]1c1cc(N2CCN(C(=O)C(C)C)CC2)cc(C)n1 ZINC000019698274 539665655 /nfs/dbraw/zinc/66/56/55/539665655.db2.gz RMKOBPOGGVWHGI-LJQANCHMSA-N 0 3 358.486 2.378 40 0 FEABHN Cc1onc(C(=O)N2CC[C@H]3[C@H]2CCCCCN3C)c1Cn1cccn1 ZINC000019712513 539667308 /nfs/dbraw/zinc/66/73/08/539667308.db2.gz XSXPJLWYPGUHFD-DLBZAZTESA-N 0 3 357.458 2.317 40 0 FEABHN CCOC(=O)c1c2c(sc1NC(=O)CSC1=NCCN1)CCC2 ZINC000026441703 539786475 /nfs/dbraw/zinc/78/64/75/539786475.db2.gz SDIIHYHFZBGYIN-UHFFFAOYSA-N 0 3 353.469 2.044 40 0 FEABHN CN(C)C[C@@]1(c2ccccc2)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O ZINC000031959610 539925275 /nfs/dbraw/zinc/92/52/75/539925275.db2.gz YWWBWLFRIHSVJG-HXUWFJFHSA-N 0 3 357.454 2.239 40 0 FEABHN COC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000044914641 540144613 /nfs/dbraw/zinc/14/46/13/540144613.db2.gz YGNBCDJHDOAQHG-KRWDZBQOSA-N 0 3 362.445 2.449 40 0 FEABHN CCOC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000045289474 540208643 /nfs/dbraw/zinc/20/86/43/540208643.db2.gz CIADNHRRTXHFIO-UHFFFAOYSA-N 0 3 359.401 2.062 40 0 FEABHN Cc1ncsc1CN1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257244854 223036143 /nfs/dbraw/zinc/03/61/43/223036143.db2.gz INBOVTAGYXITCV-ZDUSSCGKSA-N 0 3 370.482 2.186 40 0 FEABHN O=S(=O)(c1ccccc1)N1C[C@@H]2CCCCN(C3CCOCC3)[C@@H]2C1 ZINC000072399179 541804846 /nfs/dbraw/zinc/80/48/46/541804846.db2.gz UAENRQHWJPTYGI-QFBILLFUSA-N 0 3 364.511 2.341 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)COc3ccccc3F)ncc2C1 ZINC000019590518 211239834 /nfs/dbraw/zinc/23/98/34/211239834.db2.gz SUZLCXQETHYOBU-KRWDZBQOSA-N 0 3 370.428 2.346 40 0 FEABHN CN(C)CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccn(C(F)F)n1 ZINC000019582587 211238184 /nfs/dbraw/zinc/23/81/84/211238184.db2.gz OVTJAKHCTIQZRB-UHFFFAOYSA-N 0 3 366.368 2.211 40 0 FEABHN c1ccc(N2CCCC2)c(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711029 211246833 /nfs/dbraw/zinc/24/68/33/211246833.db2.gz MBMNVZVPRWYEKX-SFHVURJKSA-N 0 3 366.513 2.361 40 0 FEABHN CC(=O)N1CCc2nnc(C3CCN(Cc4ccccc4C)CC3)n2CC1 ZINC000019709456 211246556 /nfs/dbraw/zinc/24/65/56/211246556.db2.gz AXMYUCSQJCPBII-UHFFFAOYSA-N 0 3 367.497 2.371 40 0 FEABHN CC(C)n1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cn1 ZINC000019454907 211223449 /nfs/dbraw/zinc/22/34/49/211223449.db2.gz OYIPZOIKTJRTIJ-OAHLLOKOSA-N 0 3 368.485 2.262 40 0 FEABHN CC(C)c1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cn1 ZINC000019454124 211223474 /nfs/dbraw/zinc/22/34/74/211223474.db2.gz FCUXHFZYDBMUDS-PCCBWWKXSA-N 0 3 366.509 2.462 40 0 FEABHN CC(C)n1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cn1 ZINC000019454909 211222841 /nfs/dbraw/zinc/22/28/41/211222841.db2.gz OYIPZOIKTJRTIJ-HNNXBMFYSA-N 0 3 368.485 2.262 40 0 FEABHN CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019533026 211231197 /nfs/dbraw/zinc/23/11/97/211231197.db2.gz GZODYSKOYQJXTE-IBGZPJMESA-N 0 3 366.465 2.427 40 0 FEABHN CC(C)(C)c1cc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)[nH]n1 ZINC000019083630 211201628 /nfs/dbraw/zinc/20/16/28/211201628.db2.gz RYEVLMQJQZMDCV-OAHLLOKOSA-N 0 3 354.458 2.120 40 0 FEABHN O=C(CCCN1C(=O)c2ccccc2C1=O)NCCN1CCCCCC1 ZINC000013717418 211052145 /nfs/dbraw/zinc/05/21/45/211052145.db2.gz CEFHSWBKSJCOIB-UHFFFAOYSA-N 0 3 357.454 2.055 40 0 FEABHN CC[C@H](C)NC(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000049400770 221022098 /nfs/dbraw/zinc/02/20/98/221022098.db2.gz CBLRHBDLWQRTJV-HNNXBMFYSA-N 0 3 368.481 2.025 40 0 FEABHN CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000096080783 222017416 /nfs/dbraw/zinc/01/74/16/222017416.db2.gz LWNVEVLPLKQOKF-KBPBESRZSA-N 0 3 362.417 2.419 40 0 FEABHN O=C(C[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCc1cccnc1 ZINC000096207684 222077048 /nfs/dbraw/zinc/07/70/48/222077048.db2.gz HKOOLJZXULCSOB-SLFFLAALSA-N 0 3 351.450 2.377 40 0 FEABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](OCC(=O)N(C)C)CO3)C2)s1 ZINC000096207978 222078838 /nfs/dbraw/zinc/07/88/38/222078838.db2.gz TUYSUBUUTAOGDS-QAPCUYQASA-N 0 3 352.500 2.285 40 0 FEABHN Cc1nc(CN2CC[C@]3(CCCN(Cc4cnn(C)c4)C3)C2=O)cs1 ZINC000096224380 222087094 /nfs/dbraw/zinc/08/70/94/222087094.db2.gz DAJZANNMHSCLEG-SFHVURJKSA-N 0 3 359.499 2.200 40 0 FEABHN CN1CCN(Cc2cccnc2)[C@]2(CCN(Cc3ccsc3)C2)C1=O ZINC000096229604 222091027 /nfs/dbraw/zinc/09/10/27/222091027.db2.gz UTKVTQWUSKNFKT-IBGZPJMESA-N 0 3 356.495 2.062 40 0 FEABHN Cc1n[nH]cc1CN1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296699 534853506 /nfs/dbraw/zinc/85/35/06/534853506.db2.gz RDZXDIIHBVFMFU-OAHLLOKOSA-N 0 3 364.457 2.496 40 0 FEABHN CC(=O)N1CCC(N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257289979 526540865 /nfs/dbraw/zinc/54/08/65/526540865.db2.gz QAZPFIXLYHREGJ-OALUTQOASA-N 0 3 350.434 2.041 40 0 FEABHN CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3cncs3)[C@@H]2C1 ZINC000257283466 526653515 /nfs/dbraw/zinc/65/35/15/526653515.db2.gz OYLQRCMIOMPGHR-NMLBUPMWSA-N 0 3 371.506 2.340 40 0 FEABHN Cn1cc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000248101826 549407238 /nfs/dbraw/zinc/40/72/38/549407238.db2.gz DYNHYPXGSFAQGI-UXHICEINSA-N 0 3 356.470 2.403 40 0 FEABHN C[C@@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104063 571222733 /nfs/dbraw/zinc/22/27/33/571222733.db2.gz IJJQGTCMGCUXOO-JXFKEZNVSA-N 0 3 352.438 2.293 40 0 FEABHN Cc1ccc(C2(O)CCN(CCNC(=O)c3n[nH]cc3Cl)CC2)cc1 ZINC000012147573 539546984 /nfs/dbraw/zinc/54/69/84/539546984.db2.gz QOQJMJPWFYBIBK-UHFFFAOYSA-N 0 3 362.861 2.085 40 0 FEABHN Cc1cc(CN2CC3(C2)C[C@@H](COCc2cccnc2)CCN3C)n(C)n1 ZINC000306142028 210058291 /nfs/dbraw/zinc/05/82/91/210058291.db2.gz WNGLYZCBISJRNY-SFHVURJKSA-N 0 3 369.513 2.237 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)s1 ZINC000306141592 210058209 /nfs/dbraw/zinc/05/82/09/210058209.db2.gz WBJDEQULGOTBSA-YXJHDRRASA-N 0 3 359.495 2.272 40 0 FEABHN Cn1cc(C(=O)N2CC3(C2)C[C@H](COCC2CC2)CCN3CC2CC2)cn1 ZINC000306144919 210060357 /nfs/dbraw/zinc/06/03/57/210060357.db2.gz ZSENMVRAASBQJH-GOSISDBHSA-N 0 3 372.513 2.163 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306124412 210048847 /nfs/dbraw/zinc/04/88/47/210048847.db2.gz BPEYMVBNGMGNCZ-LSDHHAIUSA-N 0 3 369.444 2.004 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CCN(C4CCCC4)CC3)n2)C[C@@H](C)O1 ZINC000019497699 539658127 /nfs/dbraw/zinc/65/81/27/539658127.db2.gz ZVFPYESHZVWJOM-IAGOWNOFSA-N 0 3 359.518 2.150 40 0 FEABHN CCn1c2ccc(CN3CC[C@@H]4NC(=O)CCCC[C@H]43)cc2n(CC)c1=O ZINC000019713230 539667151 /nfs/dbraw/zinc/66/71/51/539667151.db2.gz DCCONCPDBUMWRW-DLBZAZTESA-N 0 3 370.497 2.476 40 0 FEABHN CN1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)c1nonc1N ZINC000019712972 539667485 /nfs/dbraw/zinc/66/74/85/539667485.db2.gz QBHIJSVSSTUPOW-ZACQAIPSSA-N 0 3 369.469 2.352 40 0 FEABHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c1 ZINC000040162337 540008808 /nfs/dbraw/zinc/00/88/08/540008808.db2.gz LHMBBLYSXFOQBR-YHJVDBJQSA-N 0 3 359.422 2.046 40 0 FEABHN CCn1nc(C(=O)N2CCO[C@H](c3cc(N(C)C)cc(C)n3)C2)cc1C ZINC000257204816 223018382 /nfs/dbraw/zinc/01/83/82/223018382.db2.gz AWJVPDWLULVNBF-SFHVURJKSA-N 0 3 357.458 2.195 40 0 FEABHN O=C(COc1ccccc1F)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390807 541804222 /nfs/dbraw/zinc/80/42/22/541804222.db2.gz SKLGNTBETFCDBQ-MRXNPFEDSA-N 0 3 356.401 2.004 40 0 FEABHN CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN2CCC[C@H](O)C2)C1 ZINC000072396053 541804562 /nfs/dbraw/zinc/80/45/62/541804562.db2.gz VGDHYFVFBYCOHX-CVEARBPZSA-N 0 3 356.470 2.246 40 0 FEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000073743120 541993709 /nfs/dbraw/zinc/99/37/09/541993709.db2.gz TVWLLMMQJYCOII-CYBMUJFWSA-N 0 3 368.275 2.297 40 0 FEABHN COCCOc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019593728 211240888 /nfs/dbraw/zinc/24/08/88/211240888.db2.gz YHBFCZGJVZQSIN-FQEVSTJZSA-N 0 3 368.481 2.485 40 0 FEABHN CN(C)c1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c1 ZINC000019585035 211237076 /nfs/dbraw/zinc/23/70/76/211237076.db2.gz PEOZMUUXYPPODH-INIZCTEOSA-N 0 3 365.481 2.208 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)ncc2C1 ZINC000019590408 211241318 /nfs/dbraw/zinc/24/13/18/211241318.db2.gz CPGXHUGAHZSAOY-MRXNPFEDSA-N 0 3 366.465 2.250 40 0 FEABHN COc1ccc(OC)c(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019551090 211231309 /nfs/dbraw/zinc/23/13/09/211231309.db2.gz PTNILEQSECJZRU-QGZVFWFLSA-N 0 3 368.437 2.117 40 0 FEABHN CCOC(=O)c1c(C)n(CCN2CCN(C)CC2)c2ccc(OC)cc21 ZINC000019530705 211227615 /nfs/dbraw/zinc/22/76/15/211227615.db2.gz JRYZLOINKNIRJT-UHFFFAOYSA-N 0 3 359.470 2.382 40 0 FEABHN CCOc1ccccc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019520039 211225961 /nfs/dbraw/zinc/22/59/61/211225961.db2.gz IDICDNGOMWIBOO-CQSZACIVSA-N 0 3 352.438 2.151 40 0 FEABHN C[C@@H]1Cc2cc(C(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019497973 211226007 /nfs/dbraw/zinc/22/60/07/211226007.db2.gz ZZNPZZLZZYARCZ-FZKQIMNGSA-N 0 3 364.449 2.423 40 0 FEABHN C[C@H]1Cc2cc(C(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019497972 211225018 /nfs/dbraw/zinc/22/50/18/211225018.db2.gz ZZNPZZLZZYARCZ-UGSOOPFHSA-N 0 3 364.449 2.423 40 0 FEABHN CCc1noc(C)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019521213 211224936 /nfs/dbraw/zinc/22/49/36/211224936.db2.gz ULLKKDLNDSHQIJ-AWEZNQCLSA-N 0 3 369.469 2.343 40 0 FEABHN COc1cccc(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)c1F ZINC000257221084 533486652 /nfs/dbraw/zinc/48/66/52/533486652.db2.gz DNKICKSEGZBTRW-TXPKVOOTSA-N 0 3 350.434 2.028 40 0 FEABHN Cc1ccc(CN2CCC3(C[C@H](OCC(=O)N(C)C)CO3)CC2)s1 ZINC000096047826 542989161 /nfs/dbraw/zinc/98/91/61/542989161.db2.gz ATNKNIJBLPSKPB-HNNXBMFYSA-N 0 3 352.500 2.285 40 0 FEABHN COc1ccc(CN2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)cc1 ZINC000096048781 542989181 /nfs/dbraw/zinc/98/91/81/542989181.db2.gz GMESTKUPVUKHSY-HXUWFJFHSA-N 0 3 354.454 2.448 40 0 FEABHN Cn1cc(CN2CCC[C@]3(CCN(Cc4ccncc4)C3=O)CC2)cn1 ZINC000108525244 543292353 /nfs/dbraw/zinc/29/23/53/543292353.db2.gz WRKRYXMERSLKJN-HXUWFJFHSA-N 0 3 353.470 2.220 40 0 FEABHN Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)cn1 ZINC000108526212 543292491 /nfs/dbraw/zinc/29/24/91/543292491.db2.gz OPKKJUDJXHYNAF-NVXWUHKLSA-N 0 3 350.413 2.255 40 0 FEABHN CS(=O)(=O)N[C@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 ZINC000108524350 543292547 /nfs/dbraw/zinc/29/25/47/543292547.db2.gz GQWYZJGXFPOVHF-HNNXBMFYSA-N 0 3 372.918 2.403 40 0 FEABHN O=C(NCC[C@@H]1Cn2nccc2CN(C2CCCC2)C1)c1cccnc1 ZINC000247469199 549338859 /nfs/dbraw/zinc/33/88/59/549338859.db2.gz DTTTZWGVKXDREI-INIZCTEOSA-N 0 3 353.470 2.473 40 0 FEABHN CNC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096260310 222103269 /nfs/dbraw/zinc/10/32/69/222103269.db2.gz MGCCLYBESHQSJT-UHFFFAOYSA-N 0 3 368.481 2.117 40 0 FEABHN COc1cccc(CNC(=O)c2ccc3nnc([C@@H]4CCN(C)C4)n3c2)c1 ZINC000096267435 222107863 /nfs/dbraw/zinc/10/78/63/222107863.db2.gz JFEGFHVSQYAESN-OAHLLOKOSA-N 0 3 365.437 2.087 40 0 FEABHN CCS(=O)(=O)NCC[C@@]12CCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096206918 222075707 /nfs/dbraw/zinc/07/57/07/222075707.db2.gz JZKNMKOQDQHSFN-CVEARBPZSA-N 0 3 358.529 2.059 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)CC1 ZINC000100747535 222251853 /nfs/dbraw/zinc/25/18/53/222251853.db2.gz SZBLOSCEKWJJPF-YQQAZPJKSA-N 0 3 358.486 2.034 40 0 FEABHN Cc1noc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)n1 ZINC000257291995 534412626 /nfs/dbraw/zinc/41/26/26/534412626.db2.gz QJNFFIXJNGSXQP-UHFFFAOYSA-N 0 3 351.410 2.432 40 0 FEABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccccc2C)C1 ZINC000257257045 528861471 /nfs/dbraw/zinc/86/14/71/528861471.db2.gz KNWJRVWXRLYNPA-OAQYLSRUSA-N 0 3 353.466 2.489 40 0 FEABHN NCC1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218550692 548687850 /nfs/dbraw/zinc/68/78/50/548687850.db2.gz CAUHBBBAZUMRKN-CVEARBPZSA-N 0 3 368.861 2.323 40 0 FEABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218620455 548689313 /nfs/dbraw/zinc/68/93/13/548689313.db2.gz BJVJTQCRRMOEPG-GVDBMIGSSA-N 0 3 350.871 2.244 40 0 FEABHN CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NCCN(C)C)n1 ZINC000329012571 571134603 /nfs/dbraw/zinc/13/46/03/571134603.db2.gz MKNRHDPHFIJGTM-UHFFFAOYSA-N 0 3 355.486 2.584 40 0 FEABHN CCn1cc(CN2CC3(C2)C[C@@H](COc2ccccn2)CCN3C)cn1 ZINC000585103408 571223539 /nfs/dbraw/zinc/22/35/39/571223539.db2.gz VQNXSAIGOUXJMA-KRWDZBQOSA-N 0 3 355.486 2.273 40 0 FEABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(c4ccncn4)C3)C2)c1 ZINC000585104474 571223838 /nfs/dbraw/zinc/22/38/38/571223838.db2.gz OGZSCLBTKHYVSX-NRFANRHFSA-N 0 3 366.465 2.349 40 0 FEABHN CN(C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)n1 ZINC000328984511 210129867 /nfs/dbraw/zinc/12/98/67/210129867.db2.gz HNXQFVDHEHLFDU-UHFFFAOYSA-N 0 3 351.376 2.332 40 0 FEABHN Cc1ccc(CNc2cc(-c3ccccn3)nc(NCCN(C)C)n2)cc1 ZINC000328961074 210127026 /nfs/dbraw/zinc/12/70/26/210127026.db2.gz BBDGQUVXRUBGHF-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN CCOC(=O)C1=C([O-])NC(N2CCC(C)CC2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000008559811 539489342 /nfs/dbraw/zinc/48/93/42/539489342.db2.gz CGAHEZWJOBJDIX-HOTGVXAUSA-N 0 3 361.417 2.264 40 0 FEABHN CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010111633 539512548 /nfs/dbraw/zinc/51/25/48/539512548.db2.gz UEPVTVWQUNCVGW-LJQANCHMSA-N 0 3 373.478 2.345 40 0 FEABHN CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000010111634 539512730 /nfs/dbraw/zinc/51/27/30/539512730.db2.gz UEPVTVWQUNCVGW-IBGZPJMESA-N 0 3 373.478 2.345 40 0 FEABHN COc1ccc(C2(CN3CCC(NC(=O)c4ccn[nH]4)CC3)CC2)cc1 ZINC000012087751 539542807 /nfs/dbraw/zinc/54/28/07/539542807.db2.gz NIXMRARWNQMUAU-UHFFFAOYSA-N 0 3 354.454 2.344 40 0 FEABHN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCN2CCC[C@H]2C1 ZINC000002770805 210076823 /nfs/dbraw/zinc/07/68/23/210076823.db2.gz CNTOBWGQXPVWRS-LBPRGKRZSA-N 0 3 361.396 2.465 40 0 FEABHN C[C@@H](C(=O)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 ZINC000012145148 539545667 /nfs/dbraw/zinc/54/56/67/539545667.db2.gz WHTWHAARRPNJRW-GJZGRUSLSA-N 0 3 354.454 2.113 40 0 FEABHN Cc1cccc(-c2cc(CNCCCN3CCCC3=O)c3nnnn3c2)c1 ZINC000012224410 539550363 /nfs/dbraw/zinc/55/03/63/539550363.db2.gz DDNQCGVTQCRHPY-UHFFFAOYSA-N 0 3 364.453 2.202 40 0 FEABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(CC2CCCCC2)CC3)C1 ZINC000019709468 539666750 /nfs/dbraw/zinc/66/67/50/539666750.db2.gz VJKQRKITDAXFPJ-GOSISDBHSA-N 0 3 359.518 2.442 40 0 FEABHN O=C1CO[C@@](c2nccs2)(C2CCN(Cc3ccccc3)CC2)CN1 ZINC000019696653 539665053 /nfs/dbraw/zinc/66/50/53/539665053.db2.gz QBXZJANUYSOJBK-LJQANCHMSA-N 0 3 357.479 2.397 40 0 FEABHN Cc1cc(C)nc(N2CCC(CC(=O)NC[C@@H]3CCCCN3C)CC2)n1 ZINC000019748207 539669465 /nfs/dbraw/zinc/66/94/65/539669465.db2.gz MNBZIIWLQZSLAU-SFHVURJKSA-N 0 3 359.518 2.300 40 0 FEABHN CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccco2)nn1C ZINC000008635414 291049474 /nfs/dbraw/zinc/04/94/74/291049474.db2.gz MLYKFCIDVLZPPR-ZNMIVQPWSA-N 0 3 357.458 2.177 40 0 biogenic,in-vitro FEABHN Cc1noc(C)c1CCC(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257302451 223057468 /nfs/dbraw/zinc/05/74/68/223057468.db2.gz SCZMCHBFZPZJDB-UHFFFAOYSA-N 0 3 357.458 2.140 40 0 FEABHN Cc1nonc1NC(=O)CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019715438 211249506 /nfs/dbraw/zinc/24/95/06/211249506.db2.gz OMTBZVDVFDKUIJ-LBPRGKRZSA-N 0 3 372.404 2.287 40 0 FEABHN Cc1ccc(CC(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)cc1C ZINC000019711014 211247549 /nfs/dbraw/zinc/24/75/49/211247549.db2.gz LGDVIFQXROBSIX-UHFFFAOYSA-N 0 3 367.497 2.289 40 0 FEABHN Cc1ccc(CC(=O)N2CCc3nnc([C@H]4CCCN(C)C4)n3CC2)cc1 ZINC000019709499 211247650 /nfs/dbraw/zinc/24/76/50/211247650.db2.gz NHEFOGRGUVSBMY-SFHVURJKSA-N 0 3 367.497 2.023 40 0 FEABHN CC1CCN([C@H](CNC(=O)c2cccn3nnnc23)c2ccccc2)CC1 ZINC000019654943 211242289 /nfs/dbraw/zinc/24/22/89/211242289.db2.gz OUQCTZGZNZDLJL-GOSISDBHSA-N 0 3 364.453 2.327 40 0 FEABHN CC(C)c1cc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)[nH]n1 ZINC000019451763 211224381 /nfs/dbraw/zinc/22/43/81/211224381.db2.gz LCYSJRIPVXSDRX-UHFFFAOYSA-N 0 3 368.485 2.331 40 0 FEABHN COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019569623 211236221 /nfs/dbraw/zinc/23/62/21/211236221.db2.gz WGFDXELJAYFBPG-SFHVURJKSA-N 0 3 366.465 2.427 40 0 FEABHN Cc1nn(Cc2ccccc2)c(C)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000019578337 211236134 /nfs/dbraw/zinc/23/61/34/211236134.db2.gz HCGIOKQEAKPDEJ-UIAACRFSSA-N 0 3 354.498 2.188 40 0 FEABHN Cc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 ZINC000019287721 211212542 /nfs/dbraw/zinc/21/25/42/211212542.db2.gz KGEIYZVEPHYQIF-RDTXWAMCSA-N 0 3 368.485 2.017 40 0 FEABHN O=C([C@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019375470 211219972 /nfs/dbraw/zinc/21/99/72/211219972.db2.gz BOXYYAFFZCXHCM-MOPGFXCFSA-N 0 3 364.449 2.100 40 0 FEABHN O=C(Cc1ccccc1F)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019348104 211215714 /nfs/dbraw/zinc/21/57/14/211215714.db2.gz YHOJADWCBHERAH-OAHLLOKOSA-N 0 3 354.429 2.210 40 0 FEABHN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000019292984 211213983 /nfs/dbraw/zinc/21/39/83/211213983.db2.gz AHFVMXURUKQTEE-UHFFFAOYSA-N 0 3 360.408 2.249 40 0 FEABHN CN(C)Cc1cc(-c2ccc(CNC(=O)CN3CCCCC3)cc2)nn1C ZINC000019288870 211212883 /nfs/dbraw/zinc/21/28/83/211212883.db2.gz XBGIDUUWVNRGHE-UHFFFAOYSA-N 0 3 369.513 2.251 40 0 FEABHN CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)[nH]n1 ZINC000019083623 211201059 /nfs/dbraw/zinc/20/10/59/211201059.db2.gz GFWUCCRYULIKDD-ZDUSSCGKSA-N 0 3 368.485 2.163 40 0 FEABHN COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3cccc(F)c3)O2)no1 ZINC000077262759 542359881 /nfs/dbraw/zinc/35/98/81/542359881.db2.gz CDAPOCMMOKDPMG-YTQUADARSA-N 0 3 364.417 2.201 40 0 biogenic,in-vitro FEABHN CC[C@@H](C)NC(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000049400767 221022022 /nfs/dbraw/zinc/02/20/22/221022022.db2.gz CBLRHBDLWQRTJV-OAHLLOKOSA-N 0 3 368.481 2.025 40 0 FEABHN C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(CCc2ccccc2)C3)C[C@@H](C)O1 ZINC000072335560 136144463 /nfs/dbraw/zinc/14/44/63/136144463.db2.gz KQXAHCMYRGGPLN-HZPDHXFCSA-N 0 3 368.481 2.397 40 0 FEABHN O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1 ZINC000096041251 542988046 /nfs/dbraw/zinc/98/80/46/542988046.db2.gz ZBSRUCGKTGSJEH-CWFSZBLJSA-N 0 3 351.450 2.493 40 0 FEABHN Cc1c(F)cccc1CN1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2 ZINC000108526870 543292559 /nfs/dbraw/zinc/29/25/59/543292559.db2.gz QYAPCOUYYNVTNM-INIZCTEOSA-N 0 3 370.490 2.197 40 0 FEABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3ccnnc3)C2)CC1 ZINC000108531393 543292613 /nfs/dbraw/zinc/29/26/13/543292613.db2.gz KXRKWDGIEPALQH-UHFFFAOYSA-N 0 3 357.483 2.416 40 0 FEABHN O=C(NCC[C@H]1Cn2nccc2CN(C2CCCC2)C1)c1cccnc1 ZINC000247469206 549338675 /nfs/dbraw/zinc/33/86/75/549338675.db2.gz DTTTZWGVKXDREI-MRXNPFEDSA-N 0 3 353.470 2.473 40 0 FEABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1cccnc1)CC2 ZINC000096051811 222002779 /nfs/dbraw/zinc/00/27/79/222002779.db2.gz UJRDFGRZMSJMMJ-GOSISDBHSA-N 0 3 353.470 2.379 40 0 FEABHN Cn1cc(CN2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cn1 ZINC000096052249 222003028 /nfs/dbraw/zinc/00/30/28/222003028.db2.gz CIAXWVMGMAIZCW-GOSISDBHSA-N 0 3 354.454 2.287 40 0 FEABHN CN1CCOC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076179 222013844 /nfs/dbraw/zinc/01/38/44/222013844.db2.gz CGHLHFPFXSFFBI-GOSISDBHSA-N 0 3 362.861 2.172 40 0 FEABHN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(Cc1ccccn1)CC2 ZINC000096260337 222102703 /nfs/dbraw/zinc/10/27/03/222102703.db2.gz RXEXVUNFQKJPAV-UHFFFAOYSA-N 0 3 367.497 2.282 40 0 FEABHN CNC(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096260550 222103439 /nfs/dbraw/zinc/10/34/39/222103439.db2.gz KHDSAEOSRMNCPT-UHFFFAOYSA-N 0 3 365.481 2.259 40 0 FEABHN CC(=O)N1[C@H](Cc2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2CC(N)=O ZINC000257297140 526687229 /nfs/dbraw/zinc/68/72/29/526687229.db2.gz RGBNPSKBLDXIDF-DYXWJJEUSA-N 0 3 357.498 2.339 40 0 FEABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218426920 548686193 /nfs/dbraw/zinc/68/61/93/548686193.db2.gz DKHUZSXPMRLOQT-SJORKVTESA-N 0 3 364.898 2.492 40 0 FEABHN CC(C)CCN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 ZINC000225423751 548734236 /nfs/dbraw/zinc/73/42/36/548734236.db2.gz ZTJOLMHHYCQIEO-UHFFFAOYSA-N 0 3 353.532 2.305 40 0 biogenic,in-vitro FEABHN COC[C@@H]1CN(C(C)=O)CC12CCN(CCOCc1ccccc1)CC2 ZINC000247913626 549390891 /nfs/dbraw/zinc/39/08/91/549390891.db2.gz FBVCIUZEKZIYFG-FQEVSTJZSA-N 0 3 360.498 2.410 40 0 FEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)CO)cc1 ZINC000252515940 549672043 /nfs/dbraw/zinc/67/20/43/549672043.db2.gz OVMFRLTZNCIPHT-VAMGGRTRSA-N 0 3 359.491 2.435 40 0 FEABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 ZINC000585100873 571222417 /nfs/dbraw/zinc/22/24/17/571222417.db2.gz ZWFBBNFLMFOISW-SFHVURJKSA-N 0 3 359.499 2.424 40 0 FEABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3CCC(C)C)C2)c1 ZINC000585107985 571224974 /nfs/dbraw/zinc/22/49/74/571224974.db2.gz QHMAYYIEARWFPT-CRAIPNDOSA-N 0 3 352.500 2.436 40 0 FEABHN COCc1cccc(-c2n[nH]c3c2CCN(C(=O)CN(C)C(C)C)CC3)c1 ZINC000585110464 571226520 /nfs/dbraw/zinc/22/65/20/571226520.db2.gz YUAYELIXEAAYFD-UHFFFAOYSA-N 0 3 370.497 2.491 40 0 FEABHN CN(C)CCNc1nc(Nc2c(F)cccc2F)cc(-c2ccccn2)n1 ZINC000329037537 210132463 /nfs/dbraw/zinc/13/24/63/210132463.db2.gz ROLVKMUEBBFGCF-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CCNc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000328969035 210126970 /nfs/dbraw/zinc/12/69/70/210126970.db2.gz DCDCSSINTYTJLF-UHFFFAOYSA-N 0 3 369.391 2.291 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306145156 210059745 /nfs/dbraw/zinc/05/97/45/210059745.db2.gz ZZTFJWBULFUDFI-HUUCEWRRSA-N 0 3 369.444 2.004 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306135546 210054009 /nfs/dbraw/zinc/05/40/09/210054009.db2.gz OUOUWZYCCPZNEV-CABCVRRESA-N 0 3 369.444 2.004 40 0 FEABHN O=C(c1cnccn1)N1CC2(C1)C[C@H](COCC1CC1)CCN2CC1CC1 ZINC000306131046 210052282 /nfs/dbraw/zinc/05/22/82/210052282.db2.gz JVHOUHZHXLNKDS-GOSISDBHSA-N 0 3 370.497 2.220 40 0 FEABHN O=C(NC[C@H]1Cn2nccc2CN(C2CCCC2)C1)C1CC(F)(F)C1 ZINC000306130064 210051704 /nfs/dbraw/zinc/05/17/04/210051704.db2.gz IVMUXXWBTLMHGZ-CYBMUJFWSA-N 0 3 352.429 2.419 40 0 FEABHN COc1ccc(-c2n[nH]c3c2C[C@@H](C(=O)NCCN2CCCC2)CC3)cc1 ZINC000306128820 210051227 /nfs/dbraw/zinc/05/12/27/210051227.db2.gz HLLPYRYLJKUMCM-INIZCTEOSA-N 0 3 368.481 2.402 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)s1 ZINC000306125693 210049954 /nfs/dbraw/zinc/04/99/54/210049954.db2.gz CYGPGIWAZFPRHR-JGGQBBKZSA-N 0 3 363.508 2.390 40 0 FEABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)s1 ZINC000306124263 210049305 /nfs/dbraw/zinc/04/93/05/210049305.db2.gz BKYRUQMBZKQUDK-CGTJXYLNSA-N 0 3 357.479 2.328 40 0 FEABHN CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCN(C(=O)C(C)C)C3)c2)CC1 ZINC000019705388 539666234 /nfs/dbraw/zinc/66/62/34/539666234.db2.gz BIWGEZDBAFTRMN-QGZVFWFLSA-N 0 3 358.486 2.030 40 0 FEABHN CNc1cc(CN(C)C(=O)Cc2ccc(C)cc2)nc([C@@H]2CCCN2)n1 ZINC000019759816 539669311 /nfs/dbraw/zinc/66/93/11/539669311.db2.gz VRGYEMDGPOGKLM-KRWDZBQOSA-N 0 3 353.470 2.452 40 0 FEABHN COC[C@@H]1CN(S(C)(=O)=O)CC12CCN(Cc1ccc(C)s1)CC2 ZINC000248059345 222960880 /nfs/dbraw/zinc/96/08/80/222960880.db2.gz CQIJDJUGHUGIAQ-HNNXBMFYSA-N 0 3 372.556 2.177 40 0 FEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCc3cccnc3)CCO2)n1 ZINC000257292360 223052590 /nfs/dbraw/zinc/05/25/90/223052590.db2.gz QLDALMAGWJNRLO-LJQANCHMSA-N 0 3 354.454 2.384 40 0 FEABHN CCN(C(=O)[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C)CC1 ZINC000072391811 541804224 /nfs/dbraw/zinc/80/42/24/541804224.db2.gz YNYHNFQREAJGKN-LJQANCHMSA-N 0 3 363.477 2.142 40 0 FEABHN N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ccnc3nccn32)C1 ZINC000072360633 541802203 /nfs/dbraw/zinc/80/22/03/541802203.db2.gz PILMTQFWRSNISG-WBVHZDCISA-N 0 3 367.428 2.144 40 0 FEABHN CC1(C)Cc2cc(CN3CCC[C@H](c4nnc5n4CCNC5)C3)ccc2O1 ZINC000019711023 211247457 /nfs/dbraw/zinc/24/74/57/211247457.db2.gz RQJMHFXZJGVRCI-INIZCTEOSA-N 0 3 367.497 2.474 40 0 FEABHN O=C(N[C@H](CCN1CCCCC1)c1ccccc1)c1cccn2nnnc12 ZINC000019661950 211244167 /nfs/dbraw/zinc/24/41/67/211244167.db2.gz OUHHSGLJNFMKDQ-GOSISDBHSA-N 0 3 364.453 2.471 40 0 FEABHN COc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019568704 211234758 /nfs/dbraw/zinc/23/47/58/211234758.db2.gz BBDJBDSPJQQPEO-CQSZACIVSA-N 0 3 352.438 2.151 40 0 FEABHN CCOc1cc2c(cc1CN1CCC(O)(Cn3ccnc3C)CC1)OCO2 ZINC000019532433 211229946 /nfs/dbraw/zinc/22/99/46/211229946.db2.gz KFIVVWPKCAEFID-UHFFFAOYSA-N 0 3 373.453 2.346 40 0 FEABHN CCN(CC)C(=O)CN1CC2(CCN(C)CC2)Oc2ccc(C)cc2C1=O ZINC000019526211 211227348 /nfs/dbraw/zinc/22/73/48/211227348.db2.gz UKULOVGMIUQISR-UHFFFAOYSA-N 0 3 373.497 2.162 40 0 FEABHN C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000013632791 211044878 /nfs/dbraw/zinc/04/48/78/211044878.db2.gz MWLOMEODXVISNB-GASCZTMLSA-N 0 3 367.515 2.156 40 0 FEABHN C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000013632791 211044882 /nfs/dbraw/zinc/04/48/82/211044882.db2.gz MWLOMEODXVISNB-GASCZTMLSA-N 0 3 367.515 2.156 40 0 FEABHN COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cnccn4)n3)C2)cc1 ZINC000012085337 210913646 /nfs/dbraw/zinc/91/36/46/210913646.db2.gz NAARWHSQVGWYJT-INIZCTEOSA-N 0 3 365.441 2.051 40 0 FEABHN COc1ccc(CN(C)C[C@@]2(O)CCN(C(=O)c3ccccc3)C2)cc1 ZINC000257200889 533540984 /nfs/dbraw/zinc/54/09/84/533540984.db2.gz AFGOYPQJOXAZOC-NRFANRHFSA-N 0 3 354.450 2.404 40 0 FEABHN Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC(=O)N(C)C)C2)o1 ZINC000107711870 543276852 /nfs/dbraw/zinc/27/68/52/543276852.db2.gz VFEKKIMUKKVBCV-HKUYNNGSSA-N 0 3 350.459 2.064 40 0 FEABHN Cc1nn(C)cc1CN1CCC2(CC(=O)N(Cc3cccnc3)C2)CC1 ZINC000108531576 543292473 /nfs/dbraw/zinc/29/24/73/543292473.db2.gz LSBWIEFGXBOVRK-UHFFFAOYSA-N 0 3 353.470 2.138 40 0 FEABHN Cn1cncc1CN1CCC[C@]2(CCN(Cc3cccnc3)C2=O)CC1 ZINC000108532501 543293347 /nfs/dbraw/zinc/29/33/47/543293347.db2.gz DQGBIINGZJBVBO-HXUWFJFHSA-N 0 3 353.470 2.220 40 0 FEABHN O=C(NCC[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1)c1ccco1 ZINC000247493861 549343461 /nfs/dbraw/zinc/34/34/61/549343461.db2.gz NPZZUPTUUXAXOU-KRWDZBQOSA-N 0 3 372.469 2.155 40 0 FEABHN COc1ccc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)cc1 ZINC000096061064 222006398 /nfs/dbraw/zinc/00/63/98/222006398.db2.gz IZLPZWVDEFHEEK-QGZVFWFLSA-N 0 3 351.410 2.037 40 0 FEABHN O=C([C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 ZINC000096241643 222096570 /nfs/dbraw/zinc/09/65/70/222096570.db2.gz XCIZIJMHJMASBK-MJGOQNOKSA-N 0 3 370.493 2.155 40 0 FEABHN O=C([C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 ZINC000096241645 222097195 /nfs/dbraw/zinc/09/71/95/222097195.db2.gz XCIZIJMHJMASBK-HKUYNNGSSA-N 0 3 370.493 2.155 40 0 FEABHN CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096243644 222099106 /nfs/dbraw/zinc/09/91/06/222099106.db2.gz HIYPOJAPSRSIPX-GOSISDBHSA-N 0 3 368.481 2.298 40 0 FEABHN COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CCN(C)C4)n3c2)cc1 ZINC000096156117 222056141 /nfs/dbraw/zinc/05/61/41/222056141.db2.gz HGWFXQDUNVUYAC-CYBMUJFWSA-N 0 3 351.410 2.409 40 0 FEABHN Cn1cccc1CN1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2 ZINC000096158445 222058728 /nfs/dbraw/zinc/05/87/28/222058728.db2.gz ZKIMBOZAOAPNPB-UHFFFAOYSA-N 0 3 353.470 2.334 40 0 FEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC000096161800 222060866 /nfs/dbraw/zinc/06/08/66/222060866.db2.gz HVKJYIBYGOXWII-OKILXGFUSA-N 0 3 357.435 2.076 40 0 FEABHN Cn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3cccnc3)CC2)cn1 ZINC000096218022 222082649 /nfs/dbraw/zinc/08/26/49/222082649.db2.gz VZTSCJAGKMPQRA-HXUWFJFHSA-N 0 3 353.470 2.362 40 0 FEABHN CN(Cc1ccccn1)[C@H]1CO[C@@]2(C1)CCCN(Cc1cncn1C)C2 ZINC000107228880 222391638 /nfs/dbraw/zinc/39/16/38/222391638.db2.gz ZRMVIBAWNBUBOS-UYAOXDASSA-N 0 3 355.486 2.071 40 0 FEABHN Cc1cccc(CN2CCC3(CC(NC(=O)c4cnccn4)C3)CC2)n1 ZINC000108525737 222418941 /nfs/dbraw/zinc/41/89/41/222418941.db2.gz DUYUKMQDEJFYJT-UHFFFAOYSA-N 0 3 351.454 2.355 40 0 FEABHN C[C@]12C[C@@H](c3ccccc3)N(CC(=O)N3CCCC3)[C@H]1CCCC(=O)N2 ZINC000257324061 534189433 /nfs/dbraw/zinc/18/94/33/534189433.db2.gz WMYOCTRJYFLKMT-WFXMLNOXSA-N 0 3 355.482 2.483 40 0 FEABHN CC(C)[C@H](N)C(=O)N(C)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393288 519816898 /nfs/dbraw/zinc/81/68/98/519816898.db2.gz LFQIERFXQADJQV-SFHVURJKSA-N 0 3 361.486 2.477 40 0 FEABHN COc1cccc(C(=O)N2CC[C@H](C(=O)NCCN3CCC(C)CC3)C2)c1 ZINC000019745662 525806818 /nfs/dbraw/zinc/80/68/18/525806818.db2.gz UJJNPSHKYWLNKK-SFHVURJKSA-N 0 3 373.497 2.005 40 0 FEABHN CN(CCC(=O)N[C@H]1CCCN(c2ccccn2)C1)Cc1ccccn1 ZINC000257245532 536306046 /nfs/dbraw/zinc/30/60/46/536306046.db2.gz IPYBMVSRNWRNBQ-SFHVURJKSA-N 0 3 353.470 2.084 40 0 FEABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218427014 548686259 /nfs/dbraw/zinc/68/62/59/548686259.db2.gz DKHUZSXPMRLOQT-IRXDYDNUSA-N 0 3 364.898 2.492 40 0 FEABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1(CN)NC(=O)OC(C)(C)C ZINC000218586673 548688948 /nfs/dbraw/zinc/68/89/48/548688948.db2.gz CPCIUZYFGZHWEX-RVKKMQEKSA-N 0 3 368.499 2.118 40 0 FEABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(N)CN)cc1 ZINC000242548427 548886702 /nfs/dbraw/zinc/88/67/02/548886702.db2.gz LKTKXNZPVNDZGW-KURKYZTESA-N 0 3 364.898 2.498 40 0 FEABHN COc1cc2c(cc1OC)CN(c1cc(N[C@@H](C)CO)nc(C)n1)CC2 ZINC000328962927 553854517 /nfs/dbraw/zinc/85/45/17/553854517.db2.gz BKSVLUZVNUKRQT-LBPRGKRZSA-N 0 3 358.442 2.158 40 0 FEABHN CN(C)C(=O)CC[C@@]1(O)CCCN(CCCOc2ccccc2F)C1 ZINC000585278629 570490640 /nfs/dbraw/zinc/49/06/40/570490640.db2.gz PKQWQKMQMQHFPY-IBGZPJMESA-N 0 3 352.450 2.290 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218046409 222675480 /nfs/dbraw/zinc/67/54/80/222675480.db2.gz JVEFSRVRWZLJPV-WSTZPKSXSA-N 0 3 373.474 2.443 40 0 FEABHN CN(C)CCNc1nc(NCc2cccc(F)c2)cc(C(F)(F)F)n1 ZINC000328992554 210129605 /nfs/dbraw/zinc/12/96/05/210129605.db2.gz IWTRCDJHESHEOQ-UHFFFAOYSA-N 0 3 357.355 2.064 40 0 FEABHN Cc1cc(CN2CC3(C2)C[C@@H](COc2ccccn2)CCN3C)n(C)n1 ZINC000306143101 210057638 /nfs/dbraw/zinc/05/76/38/210057638.db2.gz XTIDCQKURCYEIA-KRWDZBQOSA-N 0 3 355.486 2.099 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306144924 210060379 /nfs/dbraw/zinc/06/03/79/210060379.db2.gz ZSFOYVSJPUMEGN-ZIAGYGMSSA-N 0 3 371.872 2.128 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306135549 210053501 /nfs/dbraw/zinc/05/35/01/210053501.db2.gz OUOUWZYCCPZNEV-LSDHHAIUSA-N 0 3 369.444 2.004 40 0 FEABHN Cc1ccsc1CN1C[C@@H](c2ccnn2C(C)C)[C@]2(C1)OCCNC2=O ZINC000306132857 210053147 /nfs/dbraw/zinc/05/31/47/210053147.db2.gz LUMPORMAZUTBBB-KXBFYZLASA-N 0 3 374.510 2.319 40 0 FEABHN O=C(N[C@H]1c2ncnn2CC[C@@]12CCN(Cc1ccsc1)C2)C1CC1 ZINC000306124848 210049056 /nfs/dbraw/zinc/04/90/56/210049056.db2.gz CAUDVRRODXLDCL-MAUKXSAKSA-N 0 3 357.483 2.203 40 0 FEABHN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(C)=O)n(C)n1 ZINC000012601983 539566658 /nfs/dbraw/zinc/56/66/58/539566658.db2.gz MNGJYIHESBYIPS-JZXOWHBKSA-N 0 3 368.481 2.410 40 0 biogenic,in-vitro FEABHN CC[NH+](CC)Cc1cc(CN2CCc3c(nc(C)[n-]c3=O)C2)ccc1OC ZINC000036735021 539993260 /nfs/dbraw/zinc/99/32/60/539993260.db2.gz RZNCPUNQRFLMRD-UHFFFAOYSA-N 0 3 370.497 2.487 40 0 FEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCCn3ccnc3)CCO2)n1 ZINC000257264820 223042562 /nfs/dbraw/zinc/04/25/62/223042562.db2.gz LWCULIZCYNCHRH-GOSISDBHSA-N 0 3 357.458 2.033 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)cn1 ZINC000257342293 223073539 /nfs/dbraw/zinc/07/35/39/223073539.db2.gz ZOABRSGOPXXAKE-OAQYLSRUSA-N 0 3 351.450 2.025 40 0 FEABHN Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CN1CCC[C@H](C)C1 ZINC000072337463 541800536 /nfs/dbraw/zinc/80/05/36/541800536.db2.gz DGTDSTOXWANLNV-JLJPHGGASA-N 0 3 353.470 2.358 40 0 FEABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccccn2)C1 ZINC000072354477 541800952 /nfs/dbraw/zinc/80/09/52/541800952.db2.gz DKDIWWANERPXOC-IBGZPJMESA-N 0 3 353.466 2.345 40 0 FEABHN CNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(OC)cc2)C1 ZINC000072363287 541802122 /nfs/dbraw/zinc/80/21/22/541802122.db2.gz VUODOCXRPUHPHX-CQSZACIVSA-N 0 3 356.426 2.203 40 0 FEABHN CN(C)c1ccc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 ZINC000019584777 211238628 /nfs/dbraw/zinc/23/86/28/211238628.db2.gz PNUCBAKKLZBYGV-UHFFFAOYSA-N 0 3 365.481 2.208 40 0 FEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019590218 211238434 /nfs/dbraw/zinc/23/84/34/211238434.db2.gz XKWJJBLKOGPMKN-GJZGRUSLSA-N 0 3 356.470 2.232 40 0 FEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019590218 211238440 /nfs/dbraw/zinc/23/84/40/211238440.db2.gz XKWJJBLKOGPMKN-GJZGRUSLSA-N 0 3 356.470 2.232 40 0 FEABHN O=C(CN1CCC[C@@H](Cn2ccnc2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717441 211249676 /nfs/dbraw/zinc/24/96/76/211249676.db2.gz NHUUWHHBBYUFCU-QGZVFWFLSA-N 0 3 364.453 2.420 40 0 FEABHN CCn1nc(C(=O)NC(C)(C)CN2CCCCC2)c2ccccc2c1=O ZINC000019716921 211248603 /nfs/dbraw/zinc/24/86/03/211248603.db2.gz MJMHXULWSRWUJD-UHFFFAOYSA-N 0 3 356.470 2.411 40 0 FEABHN COc1ccccc1CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569573 211236529 /nfs/dbraw/zinc/23/65/29/211236529.db2.gz BCNJHBWRIQMTOU-INIZCTEOSA-N 0 3 366.465 2.080 40 0 FEABHN COc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1OC ZINC000019561146 211233175 /nfs/dbraw/zinc/23/31/75/211233175.db2.gz IQDMODBFPKBPHV-QGZVFWFLSA-N 0 3 354.454 2.477 40 0 FEABHN CC(C)Cc1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)[nH]n1 ZINC000019447395 211220249 /nfs/dbraw/zinc/22/02/49/211220249.db2.gz MFBVEVWUCMYVGX-UHFFFAOYSA-N 0 3 368.485 2.064 40 0 FEABHN CC(C)Cc1cc(C(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)n[nH]1 ZINC000019447395 211220254 /nfs/dbraw/zinc/22/02/54/211220254.db2.gz MFBVEVWUCMYVGX-UHFFFAOYSA-N 0 3 368.485 2.064 40 0 FEABHN Cc1csc2ncc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)c(=O)n12 ZINC000019136541 211204628 /nfs/dbraw/zinc/20/46/28/211204628.db2.gz SBNHBTLIFSGWNT-INIZCTEOSA-N 0 3 370.478 2.406 40 0 FEABHN COc1cc(CNCCCO)ccc1OCC(=O)Nc1ccccc1C ZINC000036611956 211123807 /nfs/dbraw/zinc/12/38/07/211123807.db2.gz LPVBHLLJTFQANE-UHFFFAOYSA-N 0 3 358.438 2.493 40 0 FEABHN CCOc1ccc([C@H](C)NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000019747440 220293889 /nfs/dbraw/zinc/29/38/89/220293889.db2.gz PLSMXRRBYFELQC-HNNXBMFYSA-N 0 3 373.497 2.063 40 0 FEABHN COc1ccc(CN(C)C[C@]2(O)CCN(C(=O)c3ccccc3)C2)cc1 ZINC000257200890 533541706 /nfs/dbraw/zinc/54/17/06/533541706.db2.gz AFGOYPQJOXAZOC-OAQYLSRUSA-N 0 3 354.450 2.404 40 0 FEABHN Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532054 543292537 /nfs/dbraw/zinc/29/25/37/543292537.db2.gz RUZRTZXNRVMUPY-RDJZCZTQSA-N 0 3 352.429 2.198 40 0 FEABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096106601 222025534 /nfs/dbraw/zinc/02/55/34/222025534.db2.gz TUOIPEKPMIPPSN-KRWDZBQOSA-N 0 3 350.434 2.054 40 0 FEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccccn2)COC1 ZINC000096112748 222029768 /nfs/dbraw/zinc/02/97/68/222029768.db2.gz ADEMRPQRHPZGFK-HNNXBMFYSA-N 0 3 352.394 2.079 40 0 biogenic,in-vitro FEABHN COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)c1 ZINC000096113408 222031244 /nfs/dbraw/zinc/03/12/44/222031244.db2.gz UYWBUGLCUYOKCK-SJLPKXTDSA-N 0 3 373.497 2.081 40 0 biogenic,in-vitro FEABHN O=S(=O)(C1CC1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216483 222082595 /nfs/dbraw/zinc/08/25/95/222082595.db2.gz KACCBLHAKUAEEM-IBGZPJMESA-N 0 3 364.511 2.346 40 0 FEABHN CCN1C[C@]2(CC1=O)CN(CC1CC1)CCN(C(=O)Nc1ccccc1)C2 ZINC000097952824 222217405 /nfs/dbraw/zinc/21/74/05/222217405.db2.gz NCKZCYKZJJOWNW-NRFANRHFSA-N 0 3 370.497 2.485 40 0 FEABHN OCCOc1cccc(CN2CCC(c3ccn4nccc4n3)CC2)c1 ZINC000257290700 534370747 /nfs/dbraw/zinc/37/07/47/534370747.db2.gz QDZSLMMXPRWEAQ-UHFFFAOYSA-N 0 3 352.438 2.480 40 0 FEABHN O=C(Cc1cccs1)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 ZINC000257234691 534735605 /nfs/dbraw/zinc/73/56/05/534735605.db2.gz GUQYIWPWJFMYCW-HXUWFJFHSA-N 0 3 356.491 2.312 40 0 FEABHN COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218097096 548684714 /nfs/dbraw/zinc/68/47/14/548684714.db2.gz BHPOCJHVOWCPCE-GBESFXJTSA-N 0 3 361.463 2.226 40 0 FEABHN NC[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218600354 548689023 /nfs/dbraw/zinc/68/90/23/548689023.db2.gz FZAWCYLHPHPMGY-ULQDDVLXSA-N 0 3 369.845 2.356 40 0 FEABHN COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cnccn1)CC2 ZINC000247880750 549389570 /nfs/dbraw/zinc/38/95/70/549389570.db2.gz QBUSSJUSKBWNSO-INIZCTEOSA-N 0 3 370.453 2.070 40 0 FEABHN Cc1cccc(OC[C@]2(O)CCN(Cc3cccc(OCCO)c3)C2)c1 ZINC000585272677 570486998 /nfs/dbraw/zinc/48/69/98/570486998.db2.gz POCUWITZWPOXIB-NRFANRHFSA-N 0 3 357.450 2.382 40 0 FEABHN CC(=O)NC1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585289074 570495109 /nfs/dbraw/zinc/49/51/09/570495109.db2.gz FGSFNAJZFJLDAC-IPMKNSEASA-N 0 3 350.434 2.087 40 0 FEABHN C[C@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585104070 571222736 /nfs/dbraw/zinc/22/27/36/571222736.db2.gz IJJQGTCMGCUXOO-UZLBHIALSA-N 0 3 352.438 2.293 40 0 FEABHN Cc1ccccc1S(=O)(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585112880 571226355 /nfs/dbraw/zinc/22/63/55/571226355.db2.gz XTDSBRLASGRNJS-SFHVURJKSA-N 0 3 374.510 2.423 40 0 FEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCCN(C(=O)c2cc[nH]n2)CC1 ZINC000257217800 529987788 /nfs/dbraw/zinc/98/77/88/529987788.db2.gz DAQZARPXNACNKN-IBGZPJMESA-N 0 3 360.433 2.038 40 0 FEABHN C[C@H](C(=O)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1)N1CCCC1 ZINC000012145145 539546241 /nfs/dbraw/zinc/54/62/41/539546241.db2.gz WHTWHAARRPNJRW-HUUCEWRRSA-N 0 3 354.454 2.113 40 0 FEABHN Cc1noc(C)c1-c1nc(N(C)CCN(C)C)ncc1-c1cnccn1 ZINC000012155860 539547946 /nfs/dbraw/zinc/54/79/46/539547946.db2.gz ZJKMTYOZQKCRBK-UHFFFAOYSA-N 0 3 353.430 2.203 40 0 FEABHN O=c1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)nc(N2CCOCC2)[n-]1 ZINC000012365913 539556193 /nfs/dbraw/zinc/55/61/93/539556193.db2.gz QZMPMEXJLIBCIL-KRWDZBQOSA-N 0 3 354.454 2.051 40 0 FEABHN O=c1cc([C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(N2CCOCC2)[n-]1 ZINC000012365913 539556196 /nfs/dbraw/zinc/55/61/96/539556196.db2.gz QZMPMEXJLIBCIL-KRWDZBQOSA-N 0 3 354.454 2.051 40 0 FEABHN CN(C)CCn1ccc2nc3ncnn3c(-c3cccc(Cl)c3)c2c1=O ZINC000040397979 540009863 /nfs/dbraw/zinc/00/98/63/540009863.db2.gz OKJORKCJXSXYSS-UHFFFAOYSA-N 0 3 368.828 2.321 40 0 FEABHN Cc1cc(N)cc([C@H]2CN(C(=O)CCc3nc(C(C)C)no3)CCO2)n1 ZINC000257262428 223042458 /nfs/dbraw/zinc/04/24/58/223042458.db2.gz LLJNKHIOKXXHHB-OAHLLOKOSA-N 0 3 359.430 2.011 40 0 FEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 ZINC000257286429 223051313 /nfs/dbraw/zinc/05/13/13/223051313.db2.gz PLOLGODHRKLCGL-GOSISDBHSA-N 0 3 357.458 2.033 40 0 FEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCCn3cccn3)CCO2)n1 ZINC000257286430 223051693 /nfs/dbraw/zinc/05/16/93/223051693.db2.gz PLOLGODHRKLCGL-SFHVURJKSA-N 0 3 357.458 2.033 40 0 FEABHN O=C(N[C@@H]1c2ncnn2CC[C@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 ZINC000306125030 223107529 /nfs/dbraw/zinc/10/75/29/223107529.db2.gz CFARSWXRIPCXLJ-XLIONFOSSA-N 0 3 369.444 2.281 40 0 FEABHN CN(C)CCNc1nc(NCc2cccs2)cc(-c2ccncc2)n1 ZINC000329041229 223130519 /nfs/dbraw/zinc/13/05/19/223130519.db2.gz SGPFKNJIMDNIOX-UHFFFAOYSA-N 0 3 354.483 2.030 40 0 FEABHN C[C@H]1CCCN(CC(=O)N2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373071 541802087 /nfs/dbraw/zinc/80/20/87/541802087.db2.gz UESQDFYMSNYBDQ-IRXDYDNUSA-N 0 3 372.513 2.018 40 0 FEABHN COc1ccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc1 ZINC000073391346 541949080 /nfs/dbraw/zinc/94/90/80/541949080.db2.gz MFAQRALUOKQDAT-CFGAKRJMSA-N 0 3 357.406 2.492 40 0 FEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000073743125 541994461 /nfs/dbraw/zinc/99/44/61/541994461.db2.gz TVWLLMMQJYCOII-ZDUSSCGKSA-N 0 3 368.275 2.297 40 0 FEABHN C[C@@H](CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)n1cccn1 ZINC000019455325 220257984 /nfs/dbraw/zinc/25/79/84/220257984.db2.gz STXWLTPUALOHSZ-MAUKXSAKSA-N 0 3 368.485 2.366 40 0 FEABHN CN1C[C@@H](C(=O)N2CCCC(C)(C)C2)[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019461195 220261419 /nfs/dbraw/zinc/26/14/19/220261419.db2.gz UCUIWMFZNUYCRP-PGRDOPGGSA-N 0 3 369.509 2.312 40 0 FEABHN CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)c1C ZINC000019523986 220265332 /nfs/dbraw/zinc/26/53/32/220265332.db2.gz QFMYVARFZYXRAY-QHAWAJNXSA-N 0 3 354.498 2.074 40 0 FEABHN COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019558982 220271744 /nfs/dbraw/zinc/27/17/44/220271744.db2.gz DUIWWYOWAKPNJG-LBPRGKRZSA-N 0 3 372.856 2.414 40 0 FEABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)n1 ZINC000019572965 220275364 /nfs/dbraw/zinc/27/53/64/220275364.db2.gz YUAQQNHDHZQIGH-QAPCUYQASA-N 0 3 368.485 2.250 40 0 FEABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3n[nH]c4c3CCCC4)ncc2C1 ZINC000019590533 220277566 /nfs/dbraw/zinc/27/75/66/220277566.db2.gz SPJKPCBNAUJQIL-QGZVFWFLSA-N 0 3 366.469 2.044 40 0 FEABHN N=C1N[C@@]2(c3cccc(NC(=O)c4ccc(F)cn4)c3)COC[C@H]2CS1 ZINC000090408727 542784368 /nfs/dbraw/zinc/78/43/68/542784368.db2.gz HKYIZODRLHEVTH-KPZWWZAWSA-N 0 3 372.425 2.376 40 0 FEABHN Cc1ncsc1CN1CCC2(CC1)C[C@H](NC(=O)N(C)C)CCO2 ZINC000108533770 543293118 /nfs/dbraw/zinc/29/31/18/543293118.db2.gz AGJCKXRJOVCAJU-CQSZACIVSA-N 0 3 352.504 2.236 40 0 FEABHN Cn1cccc1CN1CCC2(CCN(C(=O)Cc3cccnc3)C2)CC1 ZINC000096062873 222008406 /nfs/dbraw/zinc/00/84/06/222008406.db2.gz RODJWBPALMXCEI-UHFFFAOYSA-N 0 3 352.482 2.477 40 0 FEABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(F)cc1)C2 ZINC000096086944 222017774 /nfs/dbraw/zinc/01/77/74/222017774.db2.gz AJJRBBZQJUCDDZ-MRXNPFEDSA-N 0 3 361.465 2.115 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)o1 ZINC000096243639 222098047 /nfs/dbraw/zinc/09/80/47/222098047.db2.gz GOURRRNXWZKGCM-QGZVFWFLSA-N 0 3 372.469 2.199 40 0 FEABHN COc1cccc(CN2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244009 222099173 /nfs/dbraw/zinc/09/91/73/222099173.db2.gz QEKWDKKNADOBQN-FQEVSTJZSA-N 0 3 354.454 2.225 40 0 FEABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1nccn1C)CC2 ZINC000096158705 222057668 /nfs/dbraw/zinc/05/76/68/222057668.db2.gz SGCRFYJPTNYIGJ-SFHVURJKSA-N 0 3 355.486 2.071 40 0 FEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)NCc1cccnc1 ZINC000096206462 222076381 /nfs/dbraw/zinc/07/63/81/222076381.db2.gz WWTLRKBPOMMHQG-GUDVDZBRSA-N 0 3 355.438 2.218 40 0 FEABHN COC[C@H]1C(=O)N(CC2CC2)CC12CCN(Cc1cccc(C)n1)CC2 ZINC000096208409 222078757 /nfs/dbraw/zinc/07/87/57/222078757.db2.gz JWLVVUXGOXKGBL-IBGZPJMESA-N 0 3 357.498 2.487 40 0 FEABHN O=C(Cc1ccccc1F)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257230212 534733987 /nfs/dbraw/zinc/73/39/87/534733987.db2.gz GBIHCOHFGDJSCC-KRWDZBQOSA-N 0 3 356.388 2.063 40 0 FEABHN O=C(Cc1cccs1)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 ZINC000257234690 534736384 /nfs/dbraw/zinc/73/63/84/534736384.db2.gz GUQYIWPWJFMYCW-FQEVSTJZSA-N 0 3 356.491 2.312 40 0 FEABHN CN(C[C@H]1CCCN(Cc2ccccc2)C1)[C@]1(C)CCS(=O)(=O)C1 ZINC000248144808 549410622 /nfs/dbraw/zinc/41/06/22/549410622.db2.gz VJPLICXXVQSGRV-RTBURBONSA-N 0 3 350.528 2.408 40 0 FEABHN CCS(=O)(=O)N1CCC2(CN(Cc3ccsc3)C[C@@H]2COC)CC1 ZINC000253493225 549690694 /nfs/dbraw/zinc/69/06/94/549690694.db2.gz SOXVKTWGOAMBSQ-MRXNPFEDSA-N 0 3 372.556 2.258 40 0 FEABHN CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000257313972 549726330 /nfs/dbraw/zinc/72/63/30/549726330.db2.gz UUWOBJAACZDNEY-FQEVSTJZSA-N 0 3 374.460 2.288 40 0 FEABHN COc1ccc(NC(=O)CN2CCNC[C@H]2c2ccccc2OC)cc1 ZINC000262311528 549809467 /nfs/dbraw/zinc/80/94/67/549809467.db2.gz YZLCMKVDEGNXFZ-SFHVURJKSA-N 0 3 355.438 2.289 40 0 FEABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Nc2cccc(Cl)c2)[C@H]1O ZINC000514288665 560034557 /nfs/dbraw/zinc/03/45/57/560034557.db2.gz KAEGQKKSMKRFEO-HRCADAONSA-N 0 3 355.866 2.322 40 0 biogenic,in-vitro FEABHN Cc1nccc(C[C@H]2[C@H](NCc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382229 568286971 /nfs/dbraw/zinc/28/69/71/568286971.db2.gz LQCPUPMGJALTKE-PSBWJHGTSA-N 0 3 361.873 2.129 40 0 biogenic,in-vitro FEABHN Cc1nccc(C[C@H]2[C@H](NCc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382179 568287019 /nfs/dbraw/zinc/28/70/19/568287019.db2.gz JFQALEVOTKYULN-NCXUSEDFSA-N 0 3 361.873 2.129 40 0 biogenic,in-vitro FEABHN Cc1ccc(OC[C@]2(O)CCN(Cc3cccc(OCCO)c3)C2)cc1 ZINC000585273465 570486443 /nfs/dbraw/zinc/48/64/43/570486443.db2.gz VRZWTPQCFIXVAF-NRFANRHFSA-N 0 3 357.450 2.382 40 0 FEABHN COC(=O)c1ccc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)cc1 ZINC000329034420 571130847 /nfs/dbraw/zinc/13/08/47/571130847.db2.gz QZKKUTOHDYEAQS-UHFFFAOYSA-N 0 3 355.442 2.858 40 0 FEABHN O=C(c1ccccc1)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104098 571222832 /nfs/dbraw/zinc/22/28/32/571222832.db2.gz LONILBWYEXVKEL-IBGZPJMESA-N 0 3 358.482 2.155 40 0 FEABHN CCCc1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)o1 ZINC000019525480 539659307 /nfs/dbraw/zinc/65/93/07/539659307.db2.gz BPEQGNUBHJLEOJ-UHFFFAOYSA-N 0 3 372.469 2.165 40 0 FEABHN CCCc1ccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)o1 ZINC000019525480 539659310 /nfs/dbraw/zinc/65/93/10/539659310.db2.gz BPEQGNUBHJLEOJ-UHFFFAOYSA-N 0 3 372.469 2.165 40 0 FEABHN CC1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)CC1 ZINC000035311412 539980054 /nfs/dbraw/zinc/98/00/54/539980054.db2.gz SJHDRTTUXHCROX-UHFFFAOYSA-N 0 3 361.461 2.278 40 0 FEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1ccccc1F ZINC000257221973 223026529 /nfs/dbraw/zinc/02/65/29/223026529.db2.gz DRIPNVJQFMENMD-YRXWBPOGSA-N 0 3 358.413 2.067 40 0 FEABHN CN(C)CCNc1nc(Nc2cc(F)ccc2F)cc(C(F)(F)F)n1 ZINC000329068334 223132464 /nfs/dbraw/zinc/13/24/64/223132464.db2.gz YPQWIUFVBRTUAZ-UHFFFAOYSA-N 0 3 361.318 2.335 40 0 FEABHN CN(C)CCNc1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000328983321 223128034 /nfs/dbraw/zinc/12/80/34/223128034.db2.gz HGHMUUPDUOWEKM-UHFFFAOYSA-N 0 3 352.417 2.239 40 0 FEABHN CN(C)CCNc1nc(Nc2ccccc2F)cc(-c2ccncc2)n1 ZINC000329014805 223129477 /nfs/dbraw/zinc/12/94/77/223129477.db2.gz MYPFNSQUJLMSHA-UHFFFAOYSA-N 0 3 352.417 2.239 40 0 FEABHN CN(C)CCn1nc([C@H]2CCN(C(=O)CC3CCCC3)C2)c2nccnc21 ZINC000072391695 541803657 /nfs/dbraw/zinc/80/36/57/541803657.db2.gz RKMDLPYJBIUFGC-INIZCTEOSA-N 0 3 370.501 2.284 40 0 FEABHN O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019375467 220256380 /nfs/dbraw/zinc/25/63/80/220256380.db2.gz BOXYYAFFZCXHCM-RBUKOAKNSA-N 0 3 364.449 2.100 40 0 FEABHN CCn1cc(CC(=O)N(C)CCCN2CCN(C)CC2)c2ccccc21 ZINC000019524779 220266658 /nfs/dbraw/zinc/26/66/58/220266658.db2.gz KKKOOZJGVRNOQN-UHFFFAOYSA-N 0 3 356.514 2.300 40 0 FEABHN CCN1CCN(Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)CC1 ZINC000019528216 220268298 /nfs/dbraw/zinc/26/82/98/220268298.db2.gz QOSJKOCPQIHPGW-UHFFFAOYSA-N 0 3 369.444 2.299 40 0 FEABHN CCOc1ccc(CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019532943 220269486 /nfs/dbraw/zinc/26/94/86/220269486.db2.gz OPNBOPCKFRPHOM-IBGZPJMESA-N 0 3 366.465 2.427 40 0 FEABHN COc1ccccc1CCC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019569862 220272869 /nfs/dbraw/zinc/27/28/69/220272869.db2.gz DEKDBCQKAPUFRF-SFHVURJKSA-N 0 3 366.465 2.427 40 0 FEABHN COc1ccccc1CCC(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019569815 220273627 /nfs/dbraw/zinc/27/36/27/220273627.db2.gz HTIBKLNODIENIZ-MRXNPFEDSA-N 0 3 366.465 2.080 40 0 FEABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)n1 ZINC000019572849 220275136 /nfs/dbraw/zinc/27/51/36/220275136.db2.gz DFYMBFBQIDVHDA-MAUKXSAKSA-N 0 3 368.485 2.250 40 0 FEABHN COc1cccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 ZINC000019590696 220278071 /nfs/dbraw/zinc/27/80/71/220278071.db2.gz KDFJXKNEMULANN-UHFFFAOYSA-N 0 3 366.465 2.493 40 0 FEABHN CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)c1nonc1N ZINC000019589098 220279288 /nfs/dbraw/zinc/27/92/88/220279288.db2.gz PJWATQAPTUBKOU-UXLLHSPISA-N 0 3 355.442 2.134 40 0 FEABHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cccn2nnnc12 ZINC000019654947 220280655 /nfs/dbraw/zinc/28/06/55/220280655.db2.gz MEHFSQAAGJPYFK-QGZVFWFLSA-N 0 3 350.426 2.081 40 0 FEABHN Cn1cc(CN2CCC(c3nnc4n3CCNC4)CC2)c2cc(F)ccc21 ZINC000019711173 220287390 /nfs/dbraw/zinc/28/73/90/220287390.db2.gz LERRNBGZDDVTCS-UHFFFAOYSA-N 0 3 368.460 2.392 40 0 FEABHN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC(CCN2CCOCC2)CC1 ZINC000019717392 220289919 /nfs/dbraw/zinc/28/99/19/220289919.db2.gz KQHXEGUEWYXRKM-UHFFFAOYSA-N 0 3 369.469 2.046 40 0 FEABHN Cc1cc(CN2CC3(C2)C[C@H](COc2ccccn2)CCN3C)n(C)n1 ZINC000306143102 533591934 /nfs/dbraw/zinc/59/19/34/533591934.db2.gz XTIDCQKURCYEIA-QGZVFWFLSA-N 0 3 355.486 2.099 40 0 FEABHN COc1cccc(NCc2n[nH]c([C@H](N)c3ccc(OC)c(OC)c3)n2)c1 ZINC000095533836 542982610 /nfs/dbraw/zinc/98/26/10/542982610.db2.gz WFJIJCGVRGUUAJ-GOSISDBHSA-N 0 3 369.425 2.491 40 0 FEABHN Cc1nn(C)cc1CN1CCC2(CC(=O)N(Cc3cccc(C)n3)C2)CC1 ZINC000108527933 543292618 /nfs/dbraw/zinc/29/26/18/543292618.db2.gz FFYBIUSDSSVQMF-UHFFFAOYSA-N 0 3 367.497 2.447 40 0 FEABHN Cc1ncc(CN2CCC3(CC(=O)N(Cc4csc(C)n4)C3)CC2)[nH]1 ZINC000108527736 543292629 /nfs/dbraw/zinc/29/26/29/543292629.db2.gz BOKVKBQGNLDBIZ-UHFFFAOYSA-N 0 3 359.499 2.498 40 0 FEABHN Cc1nn(C)cc1CN1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108535018 543293365 /nfs/dbraw/zinc/29/33/65/543293365.db2.gz BPBFVIDPVOWRIU-UHFFFAOYSA-N 0 3 374.529 2.360 40 0 FEABHN CO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108576 222026771 /nfs/dbraw/zinc/02/67/71/222026771.db2.gz JGHKYPXEPZHSLL-XUVXKRRUSA-N 0 3 356.470 2.408 40 0 FEABHN O=C(NC[C@H]1OC[C@@H]2CN(Cc3ccsc3)CC[C@@H]21)c1cccnc1 ZINC000096056216 222004791 /nfs/dbraw/zinc/00/47/91/222004791.db2.gz FEJJTAOVXGNCFD-OKZBNKHCSA-N 0 3 357.479 2.410 40 0 FEABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(Cc1ccc(C)s1)C2 ZINC000096060864 222007474 /nfs/dbraw/zinc/00/74/74/222007474.db2.gz WGMPMRAYCFCQNH-OAHLLOKOSA-N 0 3 363.531 2.346 40 0 FEABHN CN(C)c1nc(N2CCCC2)nc2c1CCN(Cc1cccnc1)CC2 ZINC000096254588 222101341 /nfs/dbraw/zinc/10/13/41/222101341.db2.gz PQZMEGADLYYJHN-UHFFFAOYSA-N 0 3 352.486 2.139 40 0 FEABHN CCN(C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 ZINC000079413315 521272059 /nfs/dbraw/zinc/27/20/59/521272059.db2.gz NIUUJVJDAOCBOI-MSOLQXFVSA-N 0 3 361.486 2.477 40 0 FEABHN CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306130500 528274149 /nfs/dbraw/zinc/27/41/49/528274149.db2.gz JIJZKLXYIOOXFY-UHFFFAOYSA-N 0 3 359.499 2.318 40 0 FEABHN COC[C@@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218097028 548684972 /nfs/dbraw/zinc/68/49/72/548684972.db2.gz BHPOCJHVOWCPCE-FHWLQOOXSA-N 0 3 361.463 2.226 40 0 FEABHN Cc1cc(CN2CC3(C2)CC[C@@H](CN(C)Cc2cccnc2)CO3)no1 ZINC000248126918 549407868 /nfs/dbraw/zinc/40/78/68/549407868.db2.gz PAZQXPCEEIBSPJ-SFHVURJKSA-N 0 3 356.470 2.491 40 0 FEABHN Cc1ccccc1CN1C[C@@H]2OC[C@H](CCOCC(=O)N3CCCC3)[C@@H]2C1 ZINC000248158743 549412912 /nfs/dbraw/zinc/41/29/12/549412912.db2.gz NMAXEMNBEUAQSZ-ACRUOGEOSA-N 0 3 372.509 2.471 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000252515155 549672418 /nfs/dbraw/zinc/67/24/18/549672418.db2.gz HQWCVMQDADPXSM-QWFCFKBJSA-N 0 3 373.474 2.443 40 0 FEABHN CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C3CCOCC3)CCN21 ZINC000253398219 549685914 /nfs/dbraw/zinc/68/59/14/549685914.db2.gz GSSGKYBAHVTAHD-IBGZPJMESA-N 0 3 357.498 2.086 40 0 biogenic,in-vitro FEABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)COC(C)C)CC2)nn1C ZINC000257305968 549726496 /nfs/dbraw/zinc/72/64/96/549726496.db2.gz SSHGQGQRZQAPBY-WKILWMFISA-N 0 3 350.507 2.297 40 0 FEABHN CN1C[C@H](NC(=O)c2ccc3c(c2)CCC(=O)N3C)[C@H](c2ccccc2)C1 ZINC000329018606 553866015 /nfs/dbraw/zinc/86/60/15/553866015.db2.gz LBWACHHFNGJSAC-OALUTQOASA-N 0 3 363.461 2.423 40 0 FEABHN O[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2ccc(F)cn2)C1 ZINC000585270171 570485064 /nfs/dbraw/zinc/48/50/64/570485064.db2.gz HLZKPUGKTULXSD-LJQANCHMSA-N 0 3 363.408 2.300 40 0 FEABHN OC1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCCC1 ZINC000585282612 570493115 /nfs/dbraw/zinc/49/31/15/570493115.db2.gz LSZMBZLVCGDSOG-IBGZPJMESA-N 0 3 369.889 2.477 40 0 FEABHN Cc1cccnc1Nc1nccnc1[C@@H]1CCCN1C(=O)/C=C/CN(C)C ZINC000585292265 570497082 /nfs/dbraw/zinc/49/70/82/570497082.db2.gz KDLMFLPASYALOS-FSNWXROXSA-N 0 3 366.469 2.705 40 0 FEABHN O=C(Cc1ccccc1F)N1Cc2ccnn2CC[C@@H]1CN1CCCC1 ZINC000585098069 571220778 /nfs/dbraw/zinc/22/07/78/571220778.db2.gz SYSLSIWIVTYTSD-QGZVFWFLSA-N 0 3 356.445 2.462 40 0 FEABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(c4ccncn4)C3)C2)c1 ZINC000585104479 571223854 /nfs/dbraw/zinc/22/38/54/571223854.db2.gz OGZSCLBTKHYVSX-OAQYLSRUSA-N 0 3 366.465 2.349 40 0 FEABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585105159 571224433 /nfs/dbraw/zinc/22/44/33/571224433.db2.gz ZTMWIZONVWKJIH-VQTJNVASSA-N 0 3 372.509 2.463 40 0 FEABHN O=C(CNC1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000004375452 539383710 /nfs/dbraw/zinc/38/37/10/539383710.db2.gz ZLXILZWLHQUTEY-UHFFFAOYSA-N 0 3 365.499 2.378 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035066 222675694 /nfs/dbraw/zinc/67/56/94/222675694.db2.gz MKBAIRRQJRJAHB-LNLFQRSKSA-N 0 3 359.447 2.135 40 0 FEABHN Cc1cc(=O)n2c(n1)NC(NCCN1CCCCC1)=N[C@@H]2[C@@H]1CC=CCC1 ZINC000009289477 539500061 /nfs/dbraw/zinc/50/00/61/539500061.db2.gz DFZROZILPGRGAB-AEFFLSMTSA-N 0 3 370.501 2.264 40 0 FEABHN Cc1nccn1CC1(O)CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000012143458 539546115 /nfs/dbraw/zinc/54/61/15/539546115.db2.gz ZCGNHBJDDNTBNZ-UHFFFAOYSA-N 0 3 365.481 2.463 40 0 FEABHN Cc1ccsc1C[N@@H+]1CCC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019238634 539653240 /nfs/dbraw/zinc/65/32/40/539653240.db2.gz OJPMARISDAMWOM-HNNXBMFYSA-N 0 3 374.510 2.356 40 0 FEABHN Cc1ccsc1C[N@H+]1CCC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000019238634 539653245 /nfs/dbraw/zinc/65/32/45/539653245.db2.gz OJPMARISDAMWOM-HNNXBMFYSA-N 0 3 374.510 2.356 40 0 FEABHN Cc1cc(C)nc(N2CCC(CC(=O)NC[C@H]3CCCCN3C)CC2)n1 ZINC000019748206 539668877 /nfs/dbraw/zinc/66/88/77/539668877.db2.gz MNBZIIWLQZSLAU-GOSISDBHSA-N 0 3 359.518 2.300 40 0 FEABHN O=C(CNC1CCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000902136 219337878 /nfs/dbraw/zinc/33/78/78/219337878.db2.gz UYRMDZIWOOVYHP-UHFFFAOYSA-N 0 3 365.499 2.332 40 0 FEABHN O=C(CCC(=O)NC1CCN(Cc2ccccc2)CC1)NCc1ccco1 ZINC000000877534 219335626 /nfs/dbraw/zinc/33/56/26/219335626.db2.gz SXBKWOQUHPLWTM-UHFFFAOYSA-N 0 3 369.465 2.457 40 0 FEABHN Cc1cn(C)c([C@@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)n1 ZINC000257251445 223037507 /nfs/dbraw/zinc/03/75/07/223037507.db2.gz JQUJAUHUJAMBTK-GOSISDBHSA-N 0 3 355.486 2.352 40 0 FEABHN Cc1cc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)nc(C)n1 ZINC000257294680 223054087 /nfs/dbraw/zinc/05/40/87/223054087.db2.gz QVGOGIZZERQZJL-LJQANCHMSA-N 0 3 354.454 2.369 40 0 FEABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccc4cc[nH]c4c3)C2)O1 ZINC000306134997 223109968 /nfs/dbraw/zinc/10/99/68/223109968.db2.gz OEAYQDPWOIWVGO-XLIONFOSSA-N 0 3 357.454 2.120 40 0 FEABHN O=C(NC1CC1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3Cl)C[C@H]1C2 ZINC000306144922 223114759 /nfs/dbraw/zinc/11/47/59/223114759.db2.gz ZSFOYVSJPUMEGN-KGLIPLIRSA-N 0 3 371.872 2.128 40 0 FEABHN Cc1ccccc1CNc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000328980390 223126623 /nfs/dbraw/zinc/12/66/23/223126623.db2.gz GMFVAAUCDNEOKP-UHFFFAOYSA-N 0 3 362.481 2.276 40 0 FEABHN CN(C)CCNc1nc(Nc2cc(F)ccc2F)cc(-c2cccnc2)n1 ZINC000328984048 223127738 /nfs/dbraw/zinc/12/77/38/223127738.db2.gz HKBWJAQXVXZVLQ-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CC(=O)N1CCC(N2CCC[C@H](c3nccnc3-n3ccnc3C)C2)CC1 ZINC000072350688 541801313 /nfs/dbraw/zinc/80/13/13/541801313.db2.gz OMECVYPFSQHTCF-KRWDZBQOSA-N 0 3 368.485 2.161 40 0 FEABHN COCCn1nnnc1[C@@H](CC(C)C)N1CCN(C2CCCCC2)CC1 ZINC000019446860 220258108 /nfs/dbraw/zinc/25/81/08/220258108.db2.gz HXFZQIJIHSVIQW-GOSISDBHSA-N 0 3 364.538 2.357 40 0 FEABHN CC1(C)Cc2cc(CN3CCC[C@@H](c4nnc5n4CCNC5)C3)ccc2O1 ZINC000019711022 220287923 /nfs/dbraw/zinc/28/79/23/220287923.db2.gz RQJMHFXZJGVRCI-MRXNPFEDSA-N 0 3 367.497 2.474 40 0 FEABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CCC2CCCC2)CC3)C1 ZINC000019709470 220288693 /nfs/dbraw/zinc/28/86/93/220288693.db2.gz LHYYFQUKGLASMQ-QGZVFWFLSA-N 0 3 359.518 2.442 40 0 FEABHN COCC(=O)NCc1cn(C)nc1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000257268857 533065953 /nfs/dbraw/zinc/06/59/53/533065953.db2.gz MNNAWFLKRCVNFF-UHFFFAOYSA-N 0 3 374.460 2.201 40 0 FEABHN Cc1cnc(N2CCC3(CCC(=O)N3CC3CCN(C)CC3)CC2)nc1 ZINC000096075414 132218308 /nfs/dbraw/zinc/21/83/08/132218308.db2.gz YAPGJUWOIBHOLC-UHFFFAOYSA-N 0 3 357.502 2.088 40 0 FEABHN CN(C)CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)ncn1 ZINC000328982523 132372165 /nfs/dbraw/zinc/37/21/65/132372165.db2.gz HBDLWLBNLFHTDW-UHFFFAOYSA-N 0 3 355.486 2.240 40 0 FEABHN Cc1c(F)cccc1CN1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2 ZINC000108526872 543292280 /nfs/dbraw/zinc/29/22/80/543292280.db2.gz QYAPCOUYYNVTNM-MRXNPFEDSA-N 0 3 370.490 2.197 40 0 FEABHN Cn1nccc1CN1CCC[C@]2(CCN(Cc3ccncc3)C2=O)CC1 ZINC000108532273 543292528 /nfs/dbraw/zinc/29/25/28/543292528.db2.gz GXWLKRXJVLPTTJ-HXUWFJFHSA-N 0 3 353.470 2.220 40 0 FEABHN O=C(CO[C@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096107748 222025989 /nfs/dbraw/zinc/02/59/89/222025989.db2.gz FDDYCVFBORDOSY-AEFFLSMTSA-N 0 3 350.484 2.121 40 0 FEABHN COc1ccccc1CN1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108132 222026367 /nfs/dbraw/zinc/02/63/67/222026367.db2.gz HURMTQPNZWGAHW-PZJWPPBQSA-N 0 3 353.466 2.423 40 0 FEABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ncccc2C)COC1 ZINC000096112760 222029908 /nfs/dbraw/zinc/02/99/08/222029908.db2.gz GXCSIHQWXOZVPB-HNNXBMFYSA-N 0 3 366.421 2.387 40 0 biogenic,in-vitro FEABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245451 222098164 /nfs/dbraw/zinc/09/81/64/222098164.db2.gz TYKNIRJSZZHQSM-HUUCEWRRSA-N 0 3 350.846 2.183 40 0 FEABHN Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccnc2)CC3)cn1 ZINC000096158439 222058105 /nfs/dbraw/zinc/05/81/05/222058105.db2.gz CGYUFXHEWXKXJP-UHFFFAOYSA-N 0 3 353.470 2.334 40 0 FEABHN Cc1cccc(OC[C@]2(CNCc3ccc(F)cc3)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430350 222394490 /nfs/dbraw/zinc/39/44/90/222394490.db2.gz QATHUZXZDXKAMM-OPVJXMOQSA-N 0 3 360.429 2.200 40 0 biogenic,in-vitro FEABHN CC(C)CN1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2C(C)(C)C1 ZINC000514289928 263776662 /nfs/dbraw/zinc/77/66/62/263776662.db2.gz PZXLGGXRYDOKPJ-GOSISDBHSA-N 0 3 359.514 2.328 40 0 biogenic,in-vitro FEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3nnc(C(C)C)o3)CCO2)n1 ZINC000257289976 533886739 /nfs/dbraw/zinc/88/67/39/533886739.db2.gz QAZHTHBDDSQZEF-HNNXBMFYSA-N 0 3 359.430 2.011 40 0 FEABHN COc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1F ZINC000329066287 534026083 /nfs/dbraw/zinc/02/60/83/534026083.db2.gz XZCNYKNWRONNGP-UHFFFAOYSA-N 0 3 373.354 2.204 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccnc3)C[C@H]1C2 ZINC000306129749 534383740 /nfs/dbraw/zinc/38/37/40/534383740.db2.gz ILQSNCWFNJGINY-IAGOWNOFSA-N 0 3 374.448 2.230 40 0 FEABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079413216 519816833 /nfs/dbraw/zinc/81/68/33/519816833.db2.gz NQHPWUMSCVOGFT-MSOLQXFVSA-N 0 3 361.486 2.477 40 0 FEABHN Cc1n[nH]cc1CN1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000257296698 534853780 /nfs/dbraw/zinc/85/37/80/534853780.db2.gz RDZXDIIHBVFMFU-HNNXBMFYSA-N 0 3 364.457 2.496 40 0 FEABHN CC(=O)N1CCC(N2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)CC1 ZINC000257208109 526540050 /nfs/dbraw/zinc/54/00/50/526540050.db2.gz BKURTHNZESCUOW-HKUYNNGSSA-N 0 3 350.434 2.041 40 0 FEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cccc(C)c2)C1 ZINC000257283637 528860833 /nfs/dbraw/zinc/86/08/33/528860833.db2.gz OZDDPMUVJFXFIF-NRFANRHFSA-N 0 3 353.466 2.489 40 0 FEABHN C[C@@H]1CN(c2nccc(CN3CC[C@H](O)[C@@H]4CCCC[C@H]43)n2)C[C@H](C)O1 ZINC000253603371 549698468 /nfs/dbraw/zinc/69/84/68/549698468.db2.gz KJIXZEHJTYWXJD-CGHHPOIWSA-N 0 3 360.502 2.216 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2)cc(-c2ccccn2)n1 ZINC000328982827 571128515 /nfs/dbraw/zinc/12/85/15/571128515.db2.gz HCSRNALEMMNFNS-UHFFFAOYSA-N 0 3 350.426 2.961 40 0 FEABHN S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccccc1 ZINC000020503782 120050264 /nfs/dbraw/zinc/05/02/64/120050264.db2.gz ACAMIWCGVBLJJL-JENIJYKNSA-N 0 3 374.554 2.016 40 0 biogenic,in-vitro FEABHN COc1cc(NC(=S)NC[C@@H]2CCCN(C)C2)cc(OC)c1OC ZINC000009876280 539509014 /nfs/dbraw/zinc/50/90/14/539509014.db2.gz HJBRULBGMMGZFB-LBPRGKRZSA-N 0 3 353.488 2.341 40 0 FEABHN Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(CCC(N)=O)C2)on1 ZINC000012121233 539545013 /nfs/dbraw/zinc/54/50/13/539545013.db2.gz ZAHFGAYMWFEFPY-CQSZACIVSA-N 0 3 368.441 2.056 40 0 FEABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)COC(C)C)n1 ZINC000019698250 539665160 /nfs/dbraw/zinc/66/51/60/539665160.db2.gz NAGKVICTNQWQBA-IBGZPJMESA-N 0 3 360.502 2.230 40 0 FEABHN Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)n1 ZINC000257202423 223017021 /nfs/dbraw/zinc/01/70/21/223017021.db2.gz ALSISWIKCOSFMZ-SFHVURJKSA-N 0 3 354.454 2.369 40 0 FEABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2cccc(F)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000257273841 223047355 /nfs/dbraw/zinc/04/73/55/223047355.db2.gz NILYDQFCPUICQN-WCVJEAGWSA-N 0 3 354.422 2.161 40 0 FEABHN Cn1nc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCCN3C)ccc1=O ZINC000257339797 223072143 /nfs/dbraw/zinc/07/21/43/223072143.db2.gz ZDFMTTBJEORQDS-GBESFXJTSA-N 0 3 366.465 2.220 40 0 FEABHN O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2ccncc2)C1 ZINC000306131423 223108464 /nfs/dbraw/zinc/10/84/64/223108464.db2.gz KDXMYERBIVJOIR-OAQYLSRUSA-N 0 3 359.433 2.248 40 0 FEABHN O=C(NC1CCCC1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306144776 223115302 /nfs/dbraw/zinc/11/53/02/223115302.db2.gz ZOJDJVMDLXPIKE-CABCVRRESA-N 0 3 371.510 2.316 40 0 FEABHN O=C(c1cc[nH]n1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355190 541801445 /nfs/dbraw/zinc/80/14/45/541801445.db2.gz VXTWOFQIAXICJZ-INIZCTEOSA-N 0 3 353.470 2.364 40 0 FEABHN O=C(c1ccn[nH]1)N1CCN(C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355190 541801448 /nfs/dbraw/zinc/80/14/48/541801448.db2.gz VXTWOFQIAXICJZ-INIZCTEOSA-N 0 3 353.470 2.364 40 0 FEABHN COc1cccc(CN2CCC(c3nnc4n3CCN(C(C)=O)C4)CC2)c1 ZINC000072372085 541801926 /nfs/dbraw/zinc/80/19/26/541801926.db2.gz WASLPTLYEHWNRV-UHFFFAOYSA-N 0 3 369.469 2.028 40 0 FEABHN O=C(COc1ccc(F)cc1F)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019293077 220246282 /nfs/dbraw/zinc/24/62/82/220246282.db2.gz QSOSSONCTAOYJD-INIZCTEOSA-N 0 3 374.391 2.143 40 0 FEABHN O=C(COc1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019335748 220251193 /nfs/dbraw/zinc/25/11/93/220251193.db2.gz UMWRSXQEYJCJPJ-KRWDZBQOSA-N 0 3 356.401 2.004 40 0 FEABHN CCN(CC)C(=O)[C@@H](C)N1CC2(CCN(C)CC2)Oc2ccccc2C1=O ZINC000019526140 220269416 /nfs/dbraw/zinc/26/94/16/220269416.db2.gz URLRJUGJHOXNCH-MRXNPFEDSA-N 0 3 373.497 2.243 40 0 FEABHN COc1cccc(CC(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590619 220277655 /nfs/dbraw/zinc/27/76/55/220277655.db2.gz UVTIZAXTTSPJSV-INIZCTEOSA-N 0 3 366.465 2.032 40 0 FEABHN O=C(CN1CCC[C@H](Cn2ccnc2)C1)Nc1ccccc1-n1ccnc1 ZINC000019717442 220289827 /nfs/dbraw/zinc/28/98/27/220289827.db2.gz NHUUWHHBBYUFCU-KRWDZBQOSA-N 0 3 364.453 2.420 40 0 FEABHN CN(C)C[C@]1(c2ccccc2)C(=O)N(C)C(=O)N(C2CCCCC2)C1=O ZINC000031959613 220649607 /nfs/dbraw/zinc/64/96/07/220649607.db2.gz YWWBWLFRIHSVJG-FQEVSTJZSA-N 0 3 357.454 2.239 40 0 FEABHN Fc1ccc(CN2C[C@@H]3c4nc(N5CCOCC5)ncc4C[C@@H]3C2)cc1 ZINC000306138797 132301873 /nfs/dbraw/zinc/30/18/73/132301873.db2.gz SHSWCXOFZHSZIQ-AEFFLSMTSA-N 0 3 354.429 2.224 40 0 FEABHN Cc1nc(NCCN(C)C)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000328968413 132372021 /nfs/dbraw/zinc/37/20/21/132372021.db2.gz CYPWPKACTJZOFW-CQSZACIVSA-N 0 3 355.486 2.375 40 0 FEABHN Cc1nn(C)cc1CN1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532058 543292246 /nfs/dbraw/zinc/29/22/46/543292246.db2.gz RUZRTZXNRVMUPY-WBVHZDCISA-N 0 3 352.429 2.198 40 0 FEABHN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 ZINC000096056402 222006019 /nfs/dbraw/zinc/00/60/19/222006019.db2.gz GZPNVDZKDFZUIB-KZNAEPCWSA-N 0 3 350.434 2.052 40 0 FEABHN O=C([C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 ZINC000096241642 222097163 /nfs/dbraw/zinc/09/71/63/222097163.db2.gz XCIZIJMHJMASBK-IEBWSBKVSA-N 0 3 370.493 2.155 40 0 FEABHN COC(=O)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC000096245450 222098272 /nfs/dbraw/zinc/09/82/72/222098272.db2.gz TYKNIRJSZZHQSM-GASCZTMLSA-N 0 3 350.846 2.183 40 0 FEABHN COc1cccc(CN2CC[C@]3(CCN(Cc4cnn(C)c4)C3)C2=O)c1 ZINC000096159780 222059791 /nfs/dbraw/zinc/05/97/91/222059791.db2.gz YYHFXKCEFFETQM-FQEVSTJZSA-N 0 3 354.454 2.053 40 0 FEABHN O=C(C[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2O1)NCc1cccnc1 ZINC000096206114 222076336 /nfs/dbraw/zinc/07/63/36/222076336.db2.gz QNIPDGDCYSLQLV-XYJFISCASA-N 0 3 357.479 2.439 40 0 FEABHN O=C(N[C@H]1CCO[C@]2(CCN(CCOCc3ccccc3)C2)C1)C1CC1 ZINC000096206510 222077145 /nfs/dbraw/zinc/07/71/45/222077145.db2.gz SGINSHVVMZVSMR-PZJWPPBQSA-N 0 3 358.482 2.353 40 0 FEABHN c1ccc2nc(CN3C[C@@H]4COC[C@]4(CN4CCOCC4)C3)ccc2c1 ZINC000096208240 222078275 /nfs/dbraw/zinc/07/82/75/222078275.db2.gz MDTBDFPRKWGDMQ-NQIIRXRSSA-N 0 3 353.466 2.015 40 0 FEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575955 263374590 /nfs/dbraw/zinc/37/45/90/263374590.db2.gz GWESWVVAKDTQOU-PWIZWCRZSA-N 0 3 353.466 2.300 40 0 FEABHN COc1ccccc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329071910 534163630 /nfs/dbraw/zinc/16/36/30/534163630.db2.gz ZTPVCODIAGCCQQ-UHFFFAOYSA-N 0 3 364.453 2.108 40 0 FEABHN Cc1noc(C)c1CC(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257272798 534333349 /nfs/dbraw/zinc/33/33/49/534333349.db2.gz NDXMRACQSDDZOK-GOSISDBHSA-N 0 3 358.442 2.203 40 0 FEABHN CC(=O)N[C@H]1CN(Cc2ccc3[nH]ccc3c2)C2(C1)CCN(C(C)=O)CC2 ZINC000257316636 526908351 /nfs/dbraw/zinc/90/83/51/526908351.db2.gz VGKHYPWEEIBFSM-LJQANCHMSA-N 0 3 368.481 2.259 40 0 FEABHN COC[C@H]1CN(Cc2ccccn2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247839823 549385271 /nfs/dbraw/zinc/38/52/71/549385271.db2.gz KKVJWXHENSMRMZ-MRXNPFEDSA-N 0 3 370.453 2.070 40 0 FEABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000252516392 549671858 /nfs/dbraw/zinc/67/18/58/549671858.db2.gz SIKQPQOTOFKFHB-ZACQAIPSSA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(N)CN)cc1 ZINC000252515712 549672086 /nfs/dbraw/zinc/67/20/86/549672086.db2.gz MXIPGHGGBRUCGT-BRWVUGGUSA-N 0 3 350.871 2.244 40 0 FEABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000252515655 549672129 /nfs/dbraw/zinc/67/21/29/549672129.db2.gz MKBAIRRQJRJAHB-ZHALLVOQSA-N 0 3 359.447 2.135 40 0 FEABHN CO[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)CC1 ZINC000257307520 549726240 /nfs/dbraw/zinc/72/62/40/549726240.db2.gz SZBLOSCEKWJJPF-BFYDXBDKSA-N 0 3 358.486 2.034 40 0 FEABHN Cc1cc(N2CC[C@@](O)(CN(C)Cc3ccc(OCCF)cc3)C2)ncn1 ZINC000257322534 549727288 /nfs/dbraw/zinc/72/72/88/549727288.db2.gz WGJKBTNNXSWDCG-HXUWFJFHSA-N 0 3 374.460 2.207 40 0 FEABHN COc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3CN2Cc2ccccc2)cc1 ZINC000409430681 558690976 /nfs/dbraw/zinc/69/09/76/558690976.db2.gz MWHUUMNAGNNBKH-GUDVDZBRSA-N 0 3 350.418 2.483 40 0 FEABHN CN(C)C/C=C/C(=O)N1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000585289967 570495579 /nfs/dbraw/zinc/49/55/79/570495579.db2.gz OYUJEUOZQGVEHI-QAWDHVRNSA-N 0 3 358.482 2.471 40 0 FEABHN CN(C)C(=O)COCC[C@H]1CCOC12CCN(Cc1ccoc1)CC2 ZINC000585105362 571223751 /nfs/dbraw/zinc/22/37/51/571223751.db2.gz VBTBVHRTEGFMIC-KRWDZBQOSA-N 0 3 350.459 2.146 40 0 FEABHN COCCN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109554 571224874 /nfs/dbraw/zinc/22/48/74/571224874.db2.gz BJGQTDPKFVTXKR-IRFCIJBXSA-N 0 3 358.482 2.336 40 0 FEABHN CNCC(=O)N1CCC(CCc2ccnc(Nc3ncccn3)c2)CC1 ZINC000257260882 529956200 /nfs/dbraw/zinc/95/62/00/529956200.db2.gz LEWIKUCIRJKTLF-UHFFFAOYSA-N 0 3 354.458 2.006 40 0 FEABHN CCOCCCNc1nc([C@@H]2C[NH2+]C[C@H]2c2cccc(OC)c2)cc(=O)[n-]1 ZINC000012275385 539552073 /nfs/dbraw/zinc/55/20/73/539552073.db2.gz BNSSXWHKMVBSLC-DLBZAZTESA-N 0 3 372.469 2.500 40 0 FEABHN CN1CCN(CCCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000040419081 540009739 /nfs/dbraw/zinc/00/97/39/540009739.db2.gz AJNMKJOPQOCPIX-UHFFFAOYSA-N 0 3 374.710 2.470 40 0 FEABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)Nc2nccs2)nn1 ZINC000008298423 291048908 /nfs/dbraw/zinc/04/89/08/291048908.db2.gz YEDIUJVJBDYUGN-IMJJTQAJSA-N 0 3 374.514 2.426 40 0 biogenic,in-vitro FEABHN Cc1ccc(C(=O)N2CC[C@@](O)(CN(C)Cc3ccc(F)cc3)C2)cn1 ZINC000257210659 223020453 /nfs/dbraw/zinc/02/04/53/223020453.db2.gz BVPLFDAJZMCWMB-HXUWFJFHSA-N 0 3 357.429 2.238 40 0 FEABHN Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)CN2C ZINC000257234441 223030762 /nfs/dbraw/zinc/03/07/62/223030762.db2.gz GTNXHBACORHJQW-KZNAEPCWSA-N 0 3 374.510 2.135 40 0 FEABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000257259275 223041501 /nfs/dbraw/zinc/04/15/01/223041501.db2.gz KXPMZGZIHBSMSJ-KRWDZBQOSA-N 0 3 366.465 2.148 40 0 FEABHN CCOc1ccc(CN2CCC[C@@H](Cc3nccnc3N)C2)cc1CO ZINC000257336777 223070761 /nfs/dbraw/zinc/07/07/61/223070761.db2.gz YPZQYMSNGGMBPV-HNNXBMFYSA-N 0 3 356.470 2.405 40 0 FEABHN CN1CCN(CCc2ccc3c(Br)ccc(O)c3n2)CC1 ZINC000059474712 540865259 /nfs/dbraw/zinc/86/52/59/540865259.db2.gz MFMYHZXSKUMLQQ-UHFFFAOYSA-N 0 3 350.260 2.493 40 0 FEABHN O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2cccnc2)C1 ZINC000306130632 223109124 /nfs/dbraw/zinc/10/91/24/223109124.db2.gz JLRILJIVNXHENJ-OAQYLSRUSA-N 0 3 359.433 2.248 40 0 FEABHN O=C1CCCN1C[C@H]1CO[C@@H]2CN(CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000306133742 223110273 /nfs/dbraw/zinc/11/02/73/223110273.db2.gz MTZXWGSEDIMXGZ-BMGDILEWSA-N 0 3 364.873 2.288 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]1C2 ZINC000306145154 223114909 /nfs/dbraw/zinc/11/49/09/223114909.db2.gz ZZTFJWBULFUDFI-CABCVRRESA-N 0 3 369.444 2.004 40 0 FEABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]1C2 ZINC000306145157 223115226 /nfs/dbraw/zinc/11/52/26/223115226.db2.gz ZZTFJWBULFUDFI-LSDHHAIUSA-N 0 3 369.444 2.004 40 0 FEABHN CN(C)CCNc1nc(Nc2c(F)cccc2F)cc(-c2cccnc2)n1 ZINC000329005183 223127850 /nfs/dbraw/zinc/12/78/50/223127850.db2.gz KWNIHIYOCSLMGL-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN C[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019078843 220235902 /nfs/dbraw/zinc/23/59/02/220235902.db2.gz OHJRNECISALXGE-GUYCJALGSA-N 0 3 370.428 2.392 40 0 FEABHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NC(C)C)CC1(CCN(C)CC1)O2 ZINC000019218391 220240789 /nfs/dbraw/zinc/24/07/89/220240789.db2.gz ZFJYDZFOVMNCBA-INIZCTEOSA-N 0 3 373.497 2.207 40 0 FEABHN O=c1[nH]c(N2CCCC2)nc2c1CCN(Cc1cc(F)ccc1F)CC2 ZINC000019293047 220246424 /nfs/dbraw/zinc/24/64/24/220246424.db2.gz HGEPPJMRLJNTNW-UHFFFAOYSA-N 0 3 360.408 2.249 40 0 FEABHN Cn1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)cn1 ZINC000019290662 220245197 /nfs/dbraw/zinc/24/51/97/220245197.db2.gz ZBMMVBJHYHFCOK-UHFFFAOYSA-N 0 3 350.470 2.290 40 0 FEABHN OCC[C@H]1CN2CCC[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019403959 220256246 /nfs/dbraw/zinc/25/62/46/220256246.db2.gz PJFXLIOZGZBDSV-GJZGRUSLSA-N 0 3 360.483 2.252 40 0 FEABHN COc1ccc(CCC(=O)N2CC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019554490 220270830 /nfs/dbraw/zinc/27/08/30/220270830.db2.gz JBVIHUNYCXQMAW-MRXNPFEDSA-N 0 3 366.465 2.080 40 0 FEABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)cc1 ZINC000019554908 220271082 /nfs/dbraw/zinc/27/10/82/220271082.db2.gz DYVIRBBQLXKODE-MRXNPFEDSA-N 0 3 354.454 2.368 40 0 FEABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)cc1 ZINC000019554908 220271088 /nfs/dbraw/zinc/27/10/88/220271088.db2.gz DYVIRBBQLXKODE-MRXNPFEDSA-N 0 3 354.454 2.368 40 0 FEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3ccnc(NC(C)=O)c3)C2)c1 ZINC000257210251 533046899 /nfs/dbraw/zinc/04/68/99/533046899.db2.gz BTUJTPRFGHXQHB-OAHLLOKOSA-N 0 3 353.426 2.415 40 0 FEABHN CCOc1ccc([C@@H](C)NC(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1 ZINC000019747439 220294181 /nfs/dbraw/zinc/29/41/81/220294181.db2.gz PLSMXRRBYFELQC-OAHLLOKOSA-N 0 3 373.497 2.063 40 0 FEABHN c1coc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306140133 132301883 /nfs/dbraw/zinc/30/18/83/132301883.db2.gz ULIJUOWRGWNNLH-OAHLLOKOSA-N 0 3 353.426 2.148 40 0 FEABHN Cc1nc(NCCN(C)C)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000328968412 132371871 /nfs/dbraw/zinc/37/18/71/132371871.db2.gz CYPWPKACTJZOFW-AWEZNQCLSA-N 0 3 355.486 2.375 40 0 FEABHN COc1cccc(NCc2n[nH]c([C@@H](N)c3ccc(OC)c(OC)c3)n2)c1 ZINC000095533837 542982990 /nfs/dbraw/zinc/98/29/90/542982990.db2.gz WFJIJCGVRGUUAJ-SFHVURJKSA-N 0 3 369.425 2.491 40 0 FEABHN Cc1ccoc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COCCN(C)C)C1 ZINC000096039555 542988618 /nfs/dbraw/zinc/98/86/18/542988618.db2.gz UNVCUNIJZAQXAC-LPHOPBHVSA-N 0 3 350.459 2.178 40 0 FEABHN Cc1ccc(CN2CCC3(CO[C@@H](COCC(=O)N(C)C)C3)CC2)o1 ZINC000096105948 222025420 /nfs/dbraw/zinc/02/54/20/222025420.db2.gz PXQZNCHRXFTTDD-QGZVFWFLSA-N 0 3 350.459 2.064 40 0 FEABHN O=C(c1cnc[nH]1)N1CCC2(C[C@H](N3CCOCC3)c3ccccc32)CC1 ZINC000096079236 222015595 /nfs/dbraw/zinc/01/55/95/222015595.db2.gz XBVZIMWMMVQMPC-IBGZPJMESA-N 0 3 366.465 2.361 40 0 FEABHN Cn1cccc1CN1CCC2(C1)CCN(C(=O)Cc1cccnc1)CC2 ZINC000096157661 222057538 /nfs/dbraw/zinc/05/75/38/222057538.db2.gz PJJRZKNZGMJRIL-UHFFFAOYSA-N 0 3 352.482 2.477 40 0 FEABHN COc1cccc(CNC[C@@]2(COc3ccccc3)C[C@@H](O)[C@@H](O)C2)c1 ZINC000107430302 222393681 /nfs/dbraw/zinc/39/36/81/222393681.db2.gz PPWMXSMPOOVBQL-WKCHPHFGSA-N 0 3 357.450 2.366 40 0 biogenic,in-vitro FEABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1OCc1ccccn1 ZINC000019575298 263374530 /nfs/dbraw/zinc/37/45/30/263374530.db2.gz GWESWVVAKDTQOU-LSTHTHJFSA-N 0 3 353.466 2.300 40 0 FEABHN C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)CN)[C@H]1CCCC(=O)N2 ZINC000257263719 534189908 /nfs/dbraw/zinc/18/99/08/534189908.db2.gz LRDRNMAQSUKRMP-ZQIUZPCESA-N 0 3 369.387 2.365 40 0 FEABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306137398 534384019 /nfs/dbraw/zinc/38/40/19/534384019.db2.gz QVGNWNQHLQSTCT-JKSUJKDBSA-N 0 3 363.421 2.428 40 0 FEABHN Cc1cccc(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)n1 ZINC000257235897 534597399 /nfs/dbraw/zinc/59/73/99/534597399.db2.gz GZZYUJHERKJNTI-NRFANRHFSA-N 0 3 351.450 2.025 40 0 FEABHN CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218034979 548683255 /nfs/dbraw/zinc/68/32/55/548683255.db2.gz MKBAIRRQJRJAHB-ZIFCJYIRSA-N 0 3 359.447 2.135 40 0 FEABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218653749 548688699 /nfs/dbraw/zinc/68/86/99/548688699.db2.gz LKTKXNZPVNDZGW-RCCFBDPRSA-N 0 3 364.898 2.498 40 0 FEABHN COCCN1C[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@@]2(c2ccccc2)C1 ZINC000247831769 549385395 /nfs/dbraw/zinc/38/53/95/549385395.db2.gz HSYMUKXLXUKNHH-RXVVDRJESA-N 0 3 353.466 2.377 40 0 FEABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3ccccn3)C2)OC1 ZINC000248131774 549409775 /nfs/dbraw/zinc/40/97/75/549409775.db2.gz QNRAPPAWPPYDTJ-GOSISDBHSA-N 0 3 366.465 2.230 40 0 FEABHN CN(C)C[C@@H]1COc2ccccc2CN1C[C@H]1CCCN1C(=O)C1CC1 ZINC000248143167 549410904 /nfs/dbraw/zinc/41/09/04/549410904.db2.gz UTNKAJWVAABOBW-RTBURBONSA-N 0 3 357.498 2.212 40 0 FEABHN Cc1cc(C(=O)N2CC3(C2)CC[C@@H](CN(C)Cc2ccco2)CO3)on1 ZINC000248153252 549411462 /nfs/dbraw/zinc/41/14/62/549411462.db2.gz YITZLONHCGKYAJ-HNNXBMFYSA-N 0 3 359.426 2.329 40 0 FEABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000252514115 549672049 /nfs/dbraw/zinc/67/20/49/549672049.db2.gz BHPOCJHVOWCPCE-GUDVDZBRSA-N 0 3 361.463 2.226 40 0 FEABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382347 568287017 /nfs/dbraw/zinc/28/70/17/568287017.db2.gz OVROJTCYYNQQHS-HNBVOPMISA-N 0 3 373.472 2.429 40 0 biogenic,in-vitro FEABHN Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@H](CCN3CCCC3)C2)cc1 ZINC000585112402 571226112 /nfs/dbraw/zinc/22/61/12/571226112.db2.gz PAVLHKQRZORSGF-GOSISDBHSA-N 0 3 374.510 2.423 40 0 FEABHN OCCN(CCO)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001589851 539342503 /nfs/dbraw/zinc/34/25/03/539342503.db2.gz KLZVGZMQXSTUEZ-NRFANRHFSA-N 0 3 352.434 2.222 40 0 FEABHN CCCCN1CCOCCOCCN(CCCC)CCOCCOCC1 ZINC000005419645 539410245 /nfs/dbraw/zinc/41/02/45/539410245.db2.gz JIPAFQKJUAQJEK-UHFFFAOYSA-N 0 3 374.566 2.271 40 0 FEABHN CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc1 ZINC000012119981 539545234 /nfs/dbraw/zinc/54/52/34/539545234.db2.gz LULLDDSJSHYVBR-QAPCUYQASA-N 0 3 352.438 2.199 40 0 FEABHN CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cc1 ZINC000012119981 539545238 /nfs/dbraw/zinc/54/52/38/539545238.db2.gz LULLDDSJSHYVBR-QAPCUYQASA-N 0 3 352.438 2.199 40 0 FEABHN CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 ZINC000012222334 539550646 /nfs/dbraw/zinc/55/06/46/539550646.db2.gz IPHLLASTZSLNOC-UHFFFAOYSA-N 0 3 374.510 2.280 40 0 FEABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC[C@@H]3CCCO3)cc12 ZINC000012326861 539555036 /nfs/dbraw/zinc/55/50/36/539555036.db2.gz MDWLAMRVTNCTCU-INIZCTEOSA-N 0 3 356.401 2.430 40 0 FEABHN O=C(CNCCN1CCOCC1)N1c2ccccc2CCc2ccccc21 ZINC000035311540 539979629 /nfs/dbraw/zinc/97/96/29/539979629.db2.gz RFQHPGGTDRQTFX-UHFFFAOYSA-N 0 3 365.477 2.372 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@](O)(CN(C)Cc3ccc(F)cc3)C2)cn1 ZINC000257210658 223020498 /nfs/dbraw/zinc/02/04/98/223020498.db2.gz BVPLFDAJZMCWMB-FQEVSTJZSA-N 0 3 357.429 2.238 40 0 FEABHN O=C(/C=C/c1ccccc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257205737 223017957 /nfs/dbraw/zinc/01/79/57/223017957.db2.gz BAKDCVDLPVKGEX-DKFQHHCZSA-N 0 3 350.409 2.394 40 0 FEABHN CN(C)C(=O)c1cnn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000257300854 223056055 /nfs/dbraw/zinc/05/60/55/223056055.db2.gz RVYCHBORRUSTGP-UHFFFAOYSA-N 0 3 364.453 2.206 40 0 FEABHN O=C(Cc1ccc(F)cc1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257338586 223070279 /nfs/dbraw/zinc/07/02/79/223070279.db2.gz YYBQYOQGSKZYNE-QGZVFWFLSA-N 0 3 356.388 2.063 40 0 FEABHN Cc1nn(C)cc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 ZINC000072327138 541799355 /nfs/dbraw/zinc/79/93/55/541799355.db2.gz MEMVIJZOSNLKDX-UHFFFAOYSA-N 0 3 350.470 2.209 40 0 FEABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)c2ccccn2)C1 ZINC000072354476 541801041 /nfs/dbraw/zinc/80/10/41/541801041.db2.gz DKDIWWANERPXOC-LJQANCHMSA-N 0 3 353.466 2.345 40 0 FEABHN C[C@H](CN(C)C)NC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 ZINC000019455923 220258363 /nfs/dbraw/zinc/25/83/63/220258363.db2.gz KKSGWDGWDRIQPD-CQSZACIVSA-N 0 3 374.510 2.327 40 0 FEABHN COc1ccccc1CCC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019569887 220273466 /nfs/dbraw/zinc/27/34/66/220273466.db2.gz FQEABXPCGZXADK-SFHVURJKSA-N 0 3 366.465 2.427 40 0 FEABHN COc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1OC ZINC000019568052 220273671 /nfs/dbraw/zinc/27/36/71/220273671.db2.gz PNGSYQXCBZICLR-QGZVFWFLSA-N 0 3 354.454 2.477 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)COc3ccccc3)ncc2C1 ZINC000019590516 220278101 /nfs/dbraw/zinc/27/81/01/220278101.db2.gz AFFXMRILAVUPDC-SFHVURJKSA-N 0 3 352.438 2.207 40 0 FEABHN CCN(C(=O)[C@@H](C)c1nn(CC)c(=O)c2ccccc21)C1CCN(C)CC1 ZINC000019660558 220283418 /nfs/dbraw/zinc/28/34/18/220283418.db2.gz STESKUVYISYUFI-HNNXBMFYSA-N 0 3 370.497 2.463 40 0 FEABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000072390816 221491633 /nfs/dbraw/zinc/49/16/33/221491633.db2.gz MCTMSMYSOVNEBQ-SCLBCKFNSA-N 0 3 370.428 2.392 40 0 FEABHN CN(C)C(=O)COC[C@@]12CCCO[C@H]1CCN(Cc1cccs1)C2 ZINC000096039754 542987964 /nfs/dbraw/zinc/98/79/64/542987964.db2.gz RUSLCUHAPSHNIG-WMZOPIPTSA-N 0 3 352.500 2.224 40 0 FEABHN Cc1cc(=O)n2c(n1)NC(=NC[C@@H]1CCCO1)N[C@H]2c1ccc(Cl)cc1 ZINC000104138172 543124322 /nfs/dbraw/zinc/12/43/22/543124322.db2.gz HOOFKUCFQZTARO-GOEBONIOSA-N 0 3 373.844 2.302 40 0 FEABHN Cn1cc(CN2CCC3(CCCN(Cc4ccncc4)C3=O)CC2)cn1 ZINC000108525401 543292383 /nfs/dbraw/zinc/29/23/83/543292383.db2.gz QDHUVHBSFFWCSL-UHFFFAOYSA-N 0 3 353.470 2.220 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(COCCN(C)C)C2)o1 ZINC000096065024 222010397 /nfs/dbraw/zinc/01/03/97/222010397.db2.gz XBVWMCKJGOVCFR-MJGOQNOKSA-N 0 3 350.459 2.178 40 0 FEABHN Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCCN(C)C)C2)o1 ZINC000096065025 222011349 /nfs/dbraw/zinc/01/13/49/222011349.db2.gz XBVWMCKJGOVCFR-HKUYNNGSSA-N 0 3 350.459 2.178 40 0 FEABHN O=C([C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21)N1CCOCC1 ZINC000096241644 222096540 /nfs/dbraw/zinc/09/65/40/222096540.db2.gz XCIZIJMHJMASBK-PKOBYXMFSA-N 0 3 370.493 2.155 40 0 FEABHN O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1ccccc1F)C2 ZINC000096219605 222083620 /nfs/dbraw/zinc/08/36/20/222083620.db2.gz KPCGULVZUKQGDQ-OXJNMPFZSA-N 0 3 355.413 2.238 40 0 FEABHN Cn1cc(CN2CCC3(C[C@@H](NC(=O)c4cccs4)CO3)CC2)cn1 ZINC000096221228 222085747 /nfs/dbraw/zinc/08/57/47/222085747.db2.gz ZLBVWXUQZFTCNZ-OAHLLOKOSA-N 0 3 360.483 2.035 40 0 FEABHN O=C(NCc1cccnc1)C1=NO[C@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096225814 222087255 /nfs/dbraw/zinc/08/72/55/222087255.db2.gz MPEDLCLOYLGZNM-HXUWFJFHSA-N 0 3 356.470 2.499 40 0 FEABHN CCCCc1ncc(CN2CCO[C@@H](c3nccc(CN(C)C)n3)C2)[nH]1 ZINC000257213318 529040126 /nfs/dbraw/zinc/04/01/26/529040126.db2.gz CHAYVBLPAWHEPI-QGZVFWFLSA-N 0 3 358.490 2.177 40 0 FEABHN NC[C@@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218608242 548689182 /nfs/dbraw/zinc/68/91/82/548689182.db2.gz QMKUWWLTFYZCKQ-YESZJQIVSA-N 0 3 369.845 2.356 40 0 FEABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(CC3CC3)CC2)cs1 ZINC000225466233 548734792 /nfs/dbraw/zinc/73/47/92/548734792.db2.gz BCIKEZQYYQCLSZ-MRXNPFEDSA-N 0 3 365.543 2.447 40 0 biogenic,in-vitro FEABHN NC[C@]1(CO)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242495194 548886741 /nfs/dbraw/zinc/88/67/41/548886741.db2.gz FZAWCYLHPHPMGY-BBWFWOEESA-N 0 3 369.845 2.356 40 0 FEABHN COc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OCCO ZINC000585262595 570481633 /nfs/dbraw/zinc/48/16/33/570481633.db2.gz YLBNCVNNEIKXLS-QGZVFWFLSA-N 0 3 367.486 2.208 40 0 FEABHN CC(=O)N1CCN(C2CCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585282115 570492591 /nfs/dbraw/zinc/49/25/91/570492591.db2.gz XXKYIQLIENCBMF-FQEVSTJZSA-N 0 3 364.461 2.351 40 0 FEABHN Cc1cc(C)cc(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585287776 570495995 /nfs/dbraw/zinc/49/59/95/570495995.db2.gz RFUHJIHLMHHGGV-FPOVZHCZSA-N 0 3 363.498 2.175 40 0 FEABHN CN1CCN(CCNc2cc(-c3ccccc3)nc(NC(C)(C)C)n2)CC1 ZINC000328963888 571128957 /nfs/dbraw/zinc/12/89/57/571128957.db2.gz BSIQMURHYORHFH-UHFFFAOYSA-N 0 3 368.529 3.013 40 0 FEABHN Cc1nc(C)c(CN2CCC[C@@]3(CN(c4ccc(=O)n(C)c4)C3=O)C2)s1 ZINC000585099457 571221793 /nfs/dbraw/zinc/22/17/93/571221793.db2.gz LIEVTIYOJKCZPL-IBGZPJMESA-N 0 3 372.494 2.088 40 0 FEABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(N[C@@H](C)CN(C)C)n2)c1 ZINC000012163647 539547522 /nfs/dbraw/zinc/54/75/22/539547522.db2.gz JPSHSXKUUXDZIA-RRQGHBQHSA-N 0 3 371.485 2.023 40 0 FEABHN CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@H]1C(C)C ZINC000030880300 539892913 /nfs/dbraw/zinc/89/29/13/539892913.db2.gz NKCPVLNVIPRTEW-BZSNNMDCSA-N 0 3 366.550 2.228 40 0 biogenic,in-vitro FEABHN O=C(CNCCCN1CCOCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000035311426 539979984 /nfs/dbraw/zinc/97/99/84/539979984.db2.gz WPBNFPJKAZTVBD-UHFFFAOYSA-N 0 3 374.529 2.317 40 0 FEABHN Cc1ccc(C[C@H]2CCCN(C3CCN(S(C)(=O)=O)CC3)C2)cn1 ZINC000257220046 223025433 /nfs/dbraw/zinc/02/54/33/223025433.db2.gz DJHCQEKPPJACTC-QGZVFWFLSA-N 0 3 351.516 2.069 40 0 FEABHN O=C(N[C@@H]1c2ncnn2CC[C@@]12CCN(Cc1ccc(F)cc1)C2)C1CC1 ZINC000306125031 223107123 /nfs/dbraw/zinc/10/71/23/223107123.db2.gz CFARSWXRIPCXLJ-YLJYHZDGSA-N 0 3 369.444 2.281 40 0 FEABHN O=C(NC1CCCC1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306144778 223115261 /nfs/dbraw/zinc/11/52/61/223115261.db2.gz ZOJDJVMDLXPIKE-HUUCEWRRSA-N 0 3 371.510 2.316 40 0 FEABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccnc2)n1 ZINC000328971673 223127274 /nfs/dbraw/zinc/12/72/74/223127274.db2.gz DSAQJHYTSHVSLR-UHFFFAOYSA-N 0 3 370.407 2.378 40 0 FEABHN CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N2CCNCC2)nc1 ZINC000072216322 541795820 /nfs/dbraw/zinc/79/58/20/541795820.db2.gz GMZAVVBVDYKFHS-UHFFFAOYSA-N 0 3 362.474 2.369 40 0 FEABHN Cc1c2ccccc2oc1C(=O)N1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000072373947 541802694 /nfs/dbraw/zinc/80/26/94/541802694.db2.gz SERLMKVOEYLENP-CQSZACIVSA-N 0 3 351.410 2.413 40 0 FEABHN O=c1c(CN2C[C@H]3CCCN3C[C@@H]2CCO)coc2ccc(Cl)cc12 ZINC000019345962 220251797 /nfs/dbraw/zinc/25/17/97/220251797.db2.gz BYJHPQROYMJSIS-CVEARBPZSA-N 0 3 362.857 2.477 40 0 FEABHN O=C([C@@H]1OCCc2ccccc21)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019375469 220255985 /nfs/dbraw/zinc/25/59/85/220255985.db2.gz BOXYYAFFZCXHCM-RTBURBONSA-N 0 3 364.449 2.100 40 0 FEABHN COc1cc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)ccc1O ZINC000019550075 220271281 /nfs/dbraw/zinc/27/12/81/220271281.db2.gz KHNWXOITVLJJAN-MRXNPFEDSA-N 0 3 366.425 2.114 40 0 FEABHN CN1CC[C@@H](c2nn(CCNC(=O)Cc3ccccc3)c3ncccc23)C1 ZINC000019587914 220277234 /nfs/dbraw/zinc/27/72/34/220277234.db2.gz SYHCQZJYNGOOHE-QGZVFWFLSA-N 0 3 363.465 2.209 40 0 FEABHN COc1cccc(C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590641 220278604 /nfs/dbraw/zinc/27/86/04/220278604.db2.gz SRWGJYPQXPLHTF-HNNXBMFYSA-N 0 3 352.438 2.103 40 0 FEABHN CNc1cncc([C@@H]2CCCN2C(=O)CCN(C)Cc2cccnc2)n1 ZINC000257259807 533072753 /nfs/dbraw/zinc/07/27/53/533072753.db2.gz LADAAPLFOKENGJ-KRWDZBQOSA-N 0 3 354.458 2.099 40 0 FEABHN CC(C)[C@H](N)C(=O)N1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079413467 542516584 /nfs/dbraw/zinc/51/65/84/542516584.db2.gz QLLYXHXOZWISSL-ROUUACIJSA-N 0 3 359.470 2.372 40 0 FEABHN COc1cccc(CN[C@@H]2CC[C@@H](Oc3cccc(F)c3)[C@@H](O)[C@@H]2O)c1 ZINC000257332106 533514431 /nfs/dbraw/zinc/51/44/31/533514431.db2.gz XVUCVRRWIMIAML-UAFMIMERSA-N 0 3 361.413 2.256 40 0 FEABHN Fc1ccc(CN2C[C@@H]3Cc4cnc(N5CCOCC5)nc4[C@@H]3C2)cc1 ZINC000306138798 132301956 /nfs/dbraw/zinc/30/19/56/132301956.db2.gz SHSWCXOFZHSZIQ-FUHWJXTLSA-N 0 3 354.429 2.224 40 0 FEABHN Cc1occc1C(=O)N1CC[C@H]2OCCC[C@]2(COCCN(C)C)C1 ZINC000096039532 542988225 /nfs/dbraw/zinc/98/82/25/542988225.db2.gz GBBGCHHUUPUUDK-IEBWSBKVSA-N 0 3 350.459 2.178 40 0 FEABHN COc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096047571 542988802 /nfs/dbraw/zinc/98/88/02/542988802.db2.gz GQGJJUPTGWJLGK-QFBILLFUSA-N 0 3 358.417 2.470 40 0 FEABHN Cn1cc(CN2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)CC2)cn1 ZINC000108525248 543292542 /nfs/dbraw/zinc/29/25/42/543292542.db2.gz WRKRYXMERSLKJN-FQEVSTJZSA-N 0 3 353.470 2.220 40 0 FEABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2ccccn2)C(=O)CO3)o1 ZINC000096159103 222058483 /nfs/dbraw/zinc/05/84/83/222058483.db2.gz TZOXBOKEGDWXBR-UHFFFAOYSA-N 0 3 355.438 2.377 40 0 FEABHN CN(Cc1cccnc1)C1CC2(C1)CCN(C(=O)c1ccnnc1)CC2 ZINC000096159252 222058787 /nfs/dbraw/zinc/05/87/87/222058787.db2.gz XVLNXUHTHVSKSF-UHFFFAOYSA-N 0 3 351.454 2.388 40 0 FEABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccsc1)C2)NCc1ccccn1 ZINC000096206398 222076300 /nfs/dbraw/zinc/07/63/00/222076300.db2.gz ITLDMLKTVDGWFV-APWZRJJASA-N 0 3 357.479 2.298 40 0 FEABHN CCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(Cc3cccc(C)c3)C2)C1 ZINC000096209216 222077525 /nfs/dbraw/zinc/07/75/25/222077525.db2.gz PWDBCGZYGANBAC-QZTJIDSGSA-N 0 3 352.500 2.058 40 0 FEABHN O[C@@H]1C[C@@](CNCc2cccc(Cl)c2)(COc2cccnc2)C[C@@H]1O ZINC000107430339 222394357 /nfs/dbraw/zinc/39/43/57/222394357.db2.gz QMFHRRPHNIWWGO-REPLKXPHSA-N 0 3 362.857 2.406 40 0 biogenic,in-vitro FEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)C3=Cc4ccccc4OC3)CCO2)n1 ZINC000257268692 533885393 /nfs/dbraw/zinc/88/53/93/533885393.db2.gz MMUQNWREZYNWMI-IBGZPJMESA-N 0 3 351.406 2.348 40 0 FEABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393287 519816836 /nfs/dbraw/zinc/81/68/36/519816836.db2.gz QFRAMPTZRVRJLA-MSOLQXFVSA-N 0 3 361.486 2.477 40 0 FEABHN CC(=O)N1CCOC[C@]2(CC[C@@H](CNCc3ccc4ccccc4n3)O2)C1 ZINC000306137864 526638745 /nfs/dbraw/zinc/63/87/45/526638745.db2.gz RIODOFNKROMGRB-FPOVZHCZSA-N 0 3 369.465 2.121 40 0 FEABHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCCOCC2)CC1 ZINC000183500080 547671422 /nfs/dbraw/zinc/67/14/22/547671422.db2.gz AHYJPVJLUPEHLE-HXUWFJFHSA-N 0 3 374.529 2.192 40 0 FEABHN COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCN(C)C ZINC000223261542 548718251 /nfs/dbraw/zinc/71/82/51/548718251.db2.gz MWEJTEVXLWZUMI-ZWKOTPCHSA-N 0 3 373.526 2.064 40 0 FEABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cn1 ZINC000225916492 548746295 /nfs/dbraw/zinc/74/62/95/548746295.db2.gz VTRLGQREFSXMPL-UHFFFAOYSA-N 0 3 363.458 2.284 40 0 FEABHN CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257269727 549723002 /nfs/dbraw/zinc/72/30/02/549723002.db2.gz MRDJQYJULGZLAP-FQEVSTJZSA-N 0 3 374.460 2.288 40 0 FEABHN CO[C@@H]1COC[C@@H](CNCc2cccc(C(F)(F)F)c2Cl)[C@@H]1O ZINC000585286022 570494627 /nfs/dbraw/zinc/49/46/27/570494627.db2.gz HTVJRWCCEUADLC-QKCSRTOESA-N 0 3 353.768 2.471 40 0 FEABHN O=S1(=O)CC[C@@H](N(CCNCc2ccccc2)Cc2ccccc2)C1 ZINC000575420034 571149596 /nfs/dbraw/zinc/14/95/96/571149596.db2.gz DJRQFHIRGIYVQJ-HXUWFJFHSA-N 0 3 358.507 2.466 40 0 FEABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccncc3)C[C@@H]21)C1CC(O)C1 ZINC000585109849 571225125 /nfs/dbraw/zinc/22/51/25/571225125.db2.gz ZZZDLVWCSOUUOD-ORMRTKFESA-N 0 3 363.461 2.239 40 0 FEABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000012366111 539557463 /nfs/dbraw/zinc/55/74/63/539557463.db2.gz LPROWAMXEARDRD-KRWDZBQOSA-N 0 3 368.433 2.309 40 0 FEABHN CNCc1cc(NC)nc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 ZINC000019760386 539669410 /nfs/dbraw/zinc/66/94/10/539669410.db2.gz IIMFVTHFCVVRKK-INIZCTEOSA-N 0 3 372.448 2.152 40 0 FEABHN CN(CCOc1ccc(Cc2sc(N)nc2O)cc1)c1ccccn1 ZINC000038339132 539998374 /nfs/dbraw/zinc/99/83/74/539998374.db2.gz VQDBYZBZMGVIOT-HNNXBMFYSA-N 0 3 356.451 2.096 40 0 FEABHN CN(CCOc1ccc(CC2SC(N)=NC2=O)cc1)c1ccccn1 ZINC000038339132 539998377 /nfs/dbraw/zinc/99/83/77/539998377.db2.gz VQDBYZBZMGVIOT-HNNXBMFYSA-N 0 3 356.451 2.096 40 0 FEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H](N(C)C)[C@H]2O)c1 ZINC000257287633 223050610 /nfs/dbraw/zinc/05/06/10/223050610.db2.gz PQUYSDCAVMRMSD-NCOADZHNSA-N 0 3 366.458 2.031 40 0 FEABHN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257310247 223060638 /nfs/dbraw/zinc/06/06/38/223060638.db2.gz UEJJLVBCALWGDY-CQSZACIVSA-N 0 3 350.430 2.421 40 0 FEABHN Cc1csc2ncc(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)c(=O)n12 ZINC000019136543 220237633 /nfs/dbraw/zinc/23/76/33/220237633.db2.gz SBNHBTLIFSGWNT-MRXNPFEDSA-N 0 3 370.478 2.406 40 0 FEABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)C3CCCC3)C2)c2cccnc21 ZINC000019583114 220276163 /nfs/dbraw/zinc/27/61/63/220276163.db2.gz ACCULMZEOJPXSG-MRXNPFEDSA-N 0 3 355.486 2.499 40 0 FEABHN CN1CCc2nc([C@H]3CCCN3C(=O)COc3ccccc3)ncc2C1 ZINC000019590517 220277173 /nfs/dbraw/zinc/27/71/73/220277173.db2.gz AFFXMRILAVUPDC-GOSISDBHSA-N 0 3 352.438 2.207 40 0 FEABHN COc1ccccc1CC(=O)N1CCc2nc([C@H]3CCN(C)C3)ncc2C1 ZINC000019587985 220278814 /nfs/dbraw/zinc/27/88/14/220278814.db2.gz MOAMJBIIPQMXJI-INIZCTEOSA-N 0 3 366.465 2.032 40 0 FEABHN O[C@@H]1C[C@H](c2cccnc2)[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000077261941 542359967 /nfs/dbraw/zinc/35/99/67/542359967.db2.gz GNMIALIRLDMPRE-QBPKDAKJSA-N 0 3 352.356 2.468 40 0 biogenic,in-vitro FEABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CCO2)c1 ZINC000257241861 533046230 /nfs/dbraw/zinc/04/62/30/533046230.db2.gz HZXXRCSQPKHFQW-QGZVFWFLSA-N 0 3 353.426 2.313 40 0 FEABHN CN1CCc2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ncc2C1 ZINC000019590492 220279459 /nfs/dbraw/zinc/27/94/59/220279459.db2.gz FBDTYZIPLSQJLM-OAHLLOKOSA-N 0 3 372.494 2.033 40 0 FEABHN Cc1nonc1NC(=O)CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019715439 220288002 /nfs/dbraw/zinc/28/80/02/220288002.db2.gz OMTBZVDVFDKUIJ-GFCCVEGCSA-N 0 3 372.404 2.287 40 0 FEABHN Cc1ccc(CN2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)s1 ZINC000096230487 132223132 /nfs/dbraw/zinc/22/31/32/132223132.db2.gz QPEGPQPKAORAHH-LJQANCHMSA-N 0 3 356.495 2.375 40 0 FEABHN CS(=O)(=O)c1ccc(CNC[C@H]2COCc3nc4ccccc4n32)cc1 ZINC000096112711 222029226 /nfs/dbraw/zinc/02/92/26/222029226.db2.gz JWYHWZJSILDRJK-HNNXBMFYSA-N 0 3 371.462 2.301 40 0 biogenic,in-vitro FEABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 ZINC000096065011 222010244 /nfs/dbraw/zinc/01/02/44/222010244.db2.gz QYXIRPYNGOWEOP-SJLPKXTDSA-N 0 3 352.500 2.338 40 0 FEABHN COCCN1Cc2ccccc2C2(CCN(C(=O)c3ccnnc3)CC2)C1 ZINC000096079532 222014854 /nfs/dbraw/zinc/01/48/54/222014854.db2.gz WCHBQJRCVROUKM-UHFFFAOYSA-N 0 3 366.465 2.113 40 0 FEABHN CN(Cc1cccnc1)[C@H]1CCC[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 ZINC000096182913 222068780 /nfs/dbraw/zinc/06/87/80/222068780.db2.gz YFTHWVXJYNSMLV-AOIWGVFYSA-N 0 3 351.454 2.244 40 0 FEABHN O=C(CO[C@@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096208530 222078553 /nfs/dbraw/zinc/07/85/53/222078553.db2.gz FDDYCVFBORDOSY-WMZOPIPTSA-N 0 3 350.484 2.121 40 0 FEABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)c(C)s1)CC[C@H]2OC ZINC000096217669 222081764 /nfs/dbraw/zinc/08/17/64/222081764.db2.gz FLYHHPKSVCRMEJ-ARFHVFGLSA-N 0 3 352.500 2.173 40 0 FEABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC000306128974 534471879 /nfs/dbraw/zinc/47/18/79/534471879.db2.gz HPYAOHYABSRKFD-GVDBMIGSSA-N 0 3 357.479 2.328 40 0 FEABHN CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cccc(C)c2)C1 ZINC000257283638 528861661 /nfs/dbraw/zinc/86/16/61/528861661.db2.gz OZDDPMUVJFXFIF-OAQYLSRUSA-N 0 3 353.466 2.489 40 0 FEABHN CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257325359 528951175 /nfs/dbraw/zinc/95/11/75/528951175.db2.gz WSPLKKPVJRFGCL-QUCCMNQESA-N 0 3 357.498 2.457 40 0 FEABHN NC[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218428587 548685969 /nfs/dbraw/zinc/68/59/69/548685969.db2.gz XIHCLCRTZLATCX-IKGGRYGDSA-N 0 3 351.855 2.217 40 0 FEABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)C2(CN)CN)cc1 ZINC000218390545 548686776 /nfs/dbraw/zinc/68/67/76/548686776.db2.gz IEWOSWZVKGMLJN-IRXDYDNUSA-N 0 3 364.898 2.492 40 0 FEABHN NCC1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218389007 548686837 /nfs/dbraw/zinc/68/68/37/548686837.db2.gz QIZZQDQJMCKMSM-CVEARBPZSA-N 0 3 350.871 2.184 40 0 FEABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CN)cc1 ZINC000218620314 548689016 /nfs/dbraw/zinc/68/90/16/548689016.db2.gz BJVJTQCRRMOEPG-YESZJQIVSA-N 0 3 350.871 2.244 40 0 FEABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4c3)C2)O1 ZINC000248118131 549406767 /nfs/dbraw/zinc/40/67/67/549406767.db2.gz MFGREFXBVQGPRC-YLJYHZDGSA-N 0 3 357.454 2.120 40 0 FEABHN COc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3CN2Cc2ccccc2)cc1 ZINC000409430684 558691144 /nfs/dbraw/zinc/69/11/44/558691144.db2.gz MWHUUMNAGNNBKH-IPMKNSEASA-N 0 3 350.418 2.483 40 0 FEABHN CN1CCC(CN2CC[C@]3(CCCN(C(=O)C4(F)CCC4)C3)C2=O)CC1 ZINC000585100964 571222361 /nfs/dbraw/zinc/22/23/61/571222361.db2.gz MUVIVNKLHAUJBI-IBGZPJMESA-N 0 3 365.493 2.062 40 0 FEABHN CN(C)C(=O)COCC[C@@H]1CCOC12CCN(Cc1ccoc1)CC2 ZINC000585105363 571223785 /nfs/dbraw/zinc/22/37/85/571223785.db2.gz VBTBVHRTEGFMIC-QGZVFWFLSA-N 0 3 350.459 2.146 40 0 FEABHN