smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008254271 557778490 /nfs/dbraw/zinc/77/84/90/557778490.db2.gz NVYLMAITTSMOSF-NJYVYQBISA-N 0 3 402.502 2.367 40 0 biogenic,in-vitro HEABHN O=S1(=O)CC[C@H](NCCn2cncc2-c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000019719547 558258020 /nfs/dbraw/zinc/25/80/20/558258020.db2.gz BWHOKXRCXAGHRA-INIZCTEOSA-N 0 3 405.911 2.166 40 0 HEABHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H]3CCCN(Cc4ccccc4)C3)cc2[nH]1 ZINC000012239027 558359617 /nfs/dbraw/zinc/35/96/17/558359617.db2.gz SSTLQVKLPHIXDI-INIZCTEOSA-N 0 3 400.504 2.047 40 0 HEABHN O=C(c1cccc(F)c1)N1CCC(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000020437601 558363222 /nfs/dbraw/zinc/36/32/22/558363222.db2.gz QXEIFDVCVMYTPC-IBGZPJMESA-N 0 3 413.424 2.491 40 0 HEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(OC)cc1 ZINC000020636759 558396089 /nfs/dbraw/zinc/39/60/89/558396089.db2.gz UZWLBXWFISULRZ-VQTJNVASSA-N 0 3 407.470 2.460 40 0 HEABHN COc1ccc(N([C@@H](C)C(=O)NCCN2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000013678357 558565372 /nfs/dbraw/zinc/56/53/72/558565372.db2.gz QEJLZIVGJPKGSR-AWEZNQCLSA-N 0 3 417.959 2.105 40 0 HEABHN Cn1cc(CCC(=O)N(CCN2CCOCC2)C2CCN(C)CC2)c2ccccc21 ZINC000019290398 558862841 /nfs/dbraw/zinc/86/28/41/558862841.db2.gz MXUKYEMRKWSOCN-UHFFFAOYSA-N 0 3 412.578 2.366 40 0 HEABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497116 558895963 /nfs/dbraw/zinc/89/59/63/558895963.db2.gz FFVKRDIZNWKYLF-UONOGXRCSA-N 0 3 411.506 2.303 40 0 HEABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497116 558895964 /nfs/dbraw/zinc/89/59/64/558895964.db2.gz FFVKRDIZNWKYLF-UONOGXRCSA-N 0 3 411.506 2.303 40 0 HEABHN CNc1ncccc1CN1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CNC(C)=O)cc2)C1 ZINC000019698685 558966324 /nfs/dbraw/zinc/96/63/24/558966324.db2.gz TUKKSLLLKOLDCE-RTWAWAEBSA-N 0 3 409.534 2.063 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)cc1 ZINC000585104013 559025861 /nfs/dbraw/zinc/02/58/61/559025861.db2.gz KNBHEXYXXCFPBH-NRFANRHFSA-N 0 3 402.535 2.228 40 0 HEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585103080 559026443 /nfs/dbraw/zinc/02/64/43/559026443.db2.gz CIIRWZWYQWNSES-GHTZIAJQSA-N 0 3 418.534 2.172 40 0 HEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103172 559026549 /nfs/dbraw/zinc/02/65/49/559026549.db2.gz FDZLKYFKCJURGZ-LVCYWYKZSA-N 0 3 402.535 2.415 40 0 HEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103172 559026550 /nfs/dbraw/zinc/02/65/50/559026550.db2.gz FDZLKYFKCJURGZ-LVCYWYKZSA-N 0 3 402.535 2.415 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107279 559027767 /nfs/dbraw/zinc/02/77/67/559027767.db2.gz SDZNIGIXIUDJQT-SIKLNZKXSA-N 0 3 413.543 2.147 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107437 559027966 /nfs/dbraw/zinc/02/79/66/559027966.db2.gz VVKCEXDPUMMWAE-PGRDOPGGSA-N 0 3 413.543 2.147 40 0 HEABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096056149 559093844 /nfs/dbraw/zinc/09/38/44/559093844.db2.gz OVOJKVJXPMIZTI-CVDCTZTESA-N 0 3 406.534 2.116 40 0 HEABHN CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)NC(C)C)CC3)C1=O ZINC000096144406 559096673 /nfs/dbraw/zinc/09/66/73/559096673.db2.gz XQKWPFTYOIXGFX-HSZRJFAPSA-N 0 3 413.566 2.336 40 0 HEABHN CN(C)CCOc1ccc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585271844 559117877 /nfs/dbraw/zinc/11/78/77/559117877.db2.gz KQZAEVXWXNAKMT-QHCPKHFHSA-N 0 3 418.509 2.408 40 0 HEABHN Cc1c(Cl)cccc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000113966166 559184509 /nfs/dbraw/zinc/18/45/09/559184509.db2.gz ZSOKWQTYVZWXPP-UHFFFAOYSA-N 0 3 401.960 2.405 40 0 HEABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986872 560619358 /nfs/dbraw/zinc/61/93/58/560619358.db2.gz GHVBHXBDUNEJDP-FCHUYYIVSA-N 0 3 422.529 2.435 40 0 HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382220 568489381 /nfs/dbraw/zinc/48/93/81/568489381.db2.gz LJCNSMYJMFKABA-UGESXGAOSA-N 0 3 408.477 2.368 40 0 biogenic,in-vitro HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382371 568489547 /nfs/dbraw/zinc/48/95/47/568489547.db2.gz PLUACQSWOXOCAK-GXRSIYKFSA-N 0 3 408.477 2.368 40 0 biogenic,in-vitro HEABHN COC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223856780 568561071 /nfs/dbraw/zinc/56/10/71/568561071.db2.gz KWLFMNRXHQKJMV-UHFFFAOYSA-N 0 3 418.515 2.425 40 0 HEABHN CNC(=O)[C@@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCN1Cc1ccccc1 ZINC000257206409 568777955 /nfs/dbraw/zinc/77/79/55/568777955.db2.gz BDGNHKRPEAXDAR-QHCPKHFHSA-N 0 3 420.557 2.355 40 0 HEABHN CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306127275 568890076 /nfs/dbraw/zinc/89/00/76/568890076.db2.gz FTYWOYQVZZJNBH-PMACEKPBSA-N 0 3 419.533 2.290 40 0 HEABHN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@]2(CCCC[C@@H]2N2CCCC2)C1 ZINC000306128457 568891253 /nfs/dbraw/zinc/89/12/53/568891253.db2.gz HAVWAOMBYRDTNU-MAUKXSAKSA-N 0 3 416.975 2.180 40 0 HEABHN Cc1cc(C)cc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306128725 568891427 /nfs/dbraw/zinc/89/14/27/568891427.db2.gz HJBJGFOJLZALIO-HSZRJFAPSA-N 0 3 410.518 2.312 40 0 HEABHN Cn1cc(CN2Cc3c(=O)n(C)[n-]c3C3(CC[NH+](Cc4ccccc4)CC3)C2)cn1 ZINC000306129092 568891706 /nfs/dbraw/zinc/89/17/06/568891706.db2.gz HUDGUZFVJCELHP-UHFFFAOYSA-N 0 3 406.534 2.409 40 0 HEABHN O=C1CCCN1C[C@H]1CC[C@]2(COCCN(Cc3ccc(-n4ccnc4)cc3)C2)O1 ZINC000306130524 568892923 /nfs/dbraw/zinc/89/29/23/568892923.db2.gz JIVKQAVOUAAOSG-GGAORHGYSA-N 0 3 410.518 2.245 40 0 HEABHN COc1ncccc1CN1C[C@@H]2Cn3c(nnc3C(=O)Nc3cccc(F)c3)C[C@@H]2C1 ZINC000306134117 568896038 /nfs/dbraw/zinc/89/60/38/568896038.db2.gz NDVMTIMHTZSRTC-HZPDHXFCSA-N 0 3 422.464 2.377 40 0 HEABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000306140108 568901826 /nfs/dbraw/zinc/90/18/26/568901826.db2.gz UKBQYLVGYNLROK-NZQKXSOJSA-N 0 3 406.534 2.116 40 0 HEABHN Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306143529 568904908 /nfs/dbraw/zinc/90/49/08/568904908.db2.gz YEQICXSMTWMIGI-IRXDYDNUSA-N 0 3 408.531 2.277 40 0 HEABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167255 568926891 /nfs/dbraw/zinc/92/68/91/568926891.db2.gz VZNMCNOMUINIOL-ZJOUEHCJSA-N 0 3 417.483 2.172 40 0 HEABHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000224315597 569057107 /nfs/dbraw/zinc/05/71/07/569057107.db2.gz JYIMPWSJXJFFHV-UHFFFAOYSA-N 0 3 415.441 2.072 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(OC)c3)CC1)C2=O ZINC000019699539 569347026 /nfs/dbraw/zinc/34/70/26/569347026.db2.gz FDMVTKLTOAPEBR-UHFFFAOYSA-N 0 3 400.523 2.066 40 0 HEABHN O=C(C1CCC1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699868 569347126 /nfs/dbraw/zinc/34/71/26/569347126.db2.gz LLBPUMXSIKQRCR-HXUWFJFHSA-N 0 3 424.545 2.364 40 0 HEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000019760829 569348929 /nfs/dbraw/zinc/34/89/29/569348929.db2.gz PKKZSGOSHFTXNM-FQEVSTJZSA-N 0 3 408.550 2.378 40 0 HEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 ZINC000408710085 557737428 /nfs/dbraw/zinc/73/74/28/557737428.db2.gz OCPWRGAWCHRESO-IBGZPJMESA-N 0 3 422.529 2.464 40 0 HEABHN COc1cc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(OC)c1OC ZINC000009874079 557850673 /nfs/dbraw/zinc/85/06/73/557850673.db2.gz AHKCLLFKTRLETO-UHFFFAOYSA-N 0 3 420.510 2.050 40 0 HEABHN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CCN[C@@H]1CCS(=O)(=O)C1 ZINC000019719733 558258270 /nfs/dbraw/zinc/25/82/70/558258270.db2.gz RWLAOEIVVFALHI-QGZVFWFLSA-N 0 3 417.510 2.268 40 0 HEABHN CCn1c2ccc(S(=O)(=O)NC[C@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000012239180 558359798 /nfs/dbraw/zinc/35/97/98/558359798.db2.gz OMNHQYFKWYCVCS-QGZVFWFLSA-N 0 3 415.515 2.415 40 0 HEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674722 558399184 /nfs/dbraw/zinc/39/91/84/558399184.db2.gz MXCAJKXVLWKSTG-VQTJNVASSA-N 0 3 424.476 2.354 40 0 HEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)cc2C)cc1 ZINC000013671912 558562788 /nfs/dbraw/zinc/56/27/88/558562788.db2.gz MXSBRZHATQEBRI-UHFFFAOYSA-N 0 3 403.548 2.485 40 0 HEABHN COc1ccc(N([C@H](C)C(=O)NCCN2CCCCC2)S(C)(=O)=O)cc1Cl ZINC000013678359 558565366 /nfs/dbraw/zinc/56/53/66/558565366.db2.gz QEJLZIVGJPKGSR-CQSZACIVSA-N 0 3 417.959 2.105 40 0 HEABHN Cc1csc([C@H](Cc2cccs2)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000019240028 558858753 /nfs/dbraw/zinc/85/87/53/558858753.db2.gz HPGFJRATKNEXLP-ZBFHGGJFSA-N 0 3 406.577 2.323 40 0 HEABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497117 558895934 /nfs/dbraw/zinc/89/59/34/558895934.db2.gz FFVKRDIZNWKYLF-KGLIPLIRSA-N 0 3 411.506 2.303 40 0 HEABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497117 558895935 /nfs/dbraw/zinc/89/59/35/558895935.db2.gz FFVKRDIZNWKYLF-KGLIPLIRSA-N 0 3 411.506 2.303 40 0 HEABHN Cc1c(C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)nnn1-c1ccccc1F ZINC000019557779 558919813 /nfs/dbraw/zinc/91/98/13/558919813.db2.gz WNBPSNUSCAOPFU-QGZVFWFLSA-N 0 3 401.486 2.430 40 0 HEABHN COc1ccccc1C[N@@H+]1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570075 558929014 /nfs/dbraw/zinc/92/90/14/558929014.db2.gz BWOXSLARLVLJHP-SFHVURJKSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccccc1C[N@H+]1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570075 558929017 /nfs/dbraw/zinc/92/90/17/558929017.db2.gz BWOXSLARLVLJHP-SFHVURJKSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccc(OCCN2C[C@H](C(=O)N(C)C)[C@@]3(C2)COc2ccccc2C3=O)cc1 ZINC000019581377 558936841 /nfs/dbraw/zinc/93/68/41/558936841.db2.gz PRHAYIZFEKMCOU-HYBUGGRVSA-N 0 3 424.497 2.356 40 0 HEABHN COc1cccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1OC ZINC000072392594 558972377 /nfs/dbraw/zinc/97/23/77/558972377.db2.gz GSJIWGWUAIFMHL-WTBBCNCBSA-N 0 3 415.490 2.241 40 0 HEABHN COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1OC ZINC000072392581 558972447 /nfs/dbraw/zinc/97/24/47/558972447.db2.gz OECYYQTWTROTOS-LBUQITIBSA-N 0 3 415.490 2.241 40 0 HEABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394860 558973827 /nfs/dbraw/zinc/97/38/27/558973827.db2.gz NHLBVQOKHNKKMB-YADHBBJMSA-N 0 3 421.541 2.475 40 0 HEABHN O=C(Nc1ccccc1)N1CCC2(CC1)NC(=O)[C@H]1CN(Cc3cccnc3)C[C@H]12 ZINC000096262201 559106433 /nfs/dbraw/zinc/10/64/33/559106433.db2.gz DOGDEINNIUALCK-VQTJNVASSA-N 0 3 405.502 2.326 40 0 HEABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000585270705 559116570 /nfs/dbraw/zinc/11/65/70/559116570.db2.gz PHSJDQWKYCGHJF-QHCPKHFHSA-N 0 3 407.518 2.467 40 0 HEABHN CN(C)CCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585271384 559116779 /nfs/dbraw/zinc/11/67/79/559116779.db2.gz HQMDPDQQPWPTSF-HSZRJFAPSA-N 0 3 418.509 2.408 40 0 HEABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2ccc(C(F)(F)F)cc2)[C@@H](O)C1 ZINC000585286257 559121778 /nfs/dbraw/zinc/12/17/78/559121778.db2.gz YEZUIYPCBZMCFJ-FPOVZHCZSA-N 0 3 422.447 2.362 40 0 HEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585287585 559123134 /nfs/dbraw/zinc/12/31/34/559123134.db2.gz PCYGHAOWODELOC-OAQYLSRUSA-N 0 3 412.477 2.198 40 0 HEABHN CC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585287504 559123172 /nfs/dbraw/zinc/12/31/72/559123172.db2.gz NJUUXGSAIMOAHL-QFIPXVFZSA-N 0 3 408.514 2.103 40 0 HEABHN CN1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000113932576 559182061 /nfs/dbraw/zinc/18/20/61/559182061.db2.gz PPHFFYGFMISQOV-UHFFFAOYSA-N 0 3 405.495 2.231 40 0 HEABHN CN1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000113936742 559182217 /nfs/dbraw/zinc/18/22/17/559182217.db2.gz WBCPUKFFLSBPOW-UHFFFAOYSA-N 0 3 405.495 2.231 40 0 HEABHN Cn1ccnc1COc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000257244733 559284261 /nfs/dbraw/zinc/28/42/61/559284261.db2.gz IMOXAGOBCXUAEE-JOCHJYFZSA-N 0 3 411.481 2.264 40 0 HEABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004133496 560600521 /nfs/dbraw/zinc/60/05/21/560600521.db2.gz RAKRCQPQQAREGE-UHFFFAOYSA-N 0 3 404.580 2.420 40 0 HEABHN CSCC[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000100771372 560726281 /nfs/dbraw/zinc/72/62/81/560726281.db2.gz WNZLJUQGEOKOJG-LZWOXQAQSA-N 0 3 407.536 2.357 40 0 HEABHN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCN(C)C)cc1OC ZINC000225384822 568633315 /nfs/dbraw/zinc/63/33/15/568633315.db2.gz WPKRDACTLBLXQY-SSZFMOIBSA-N 0 3 403.504 2.214 40 0 HEABHN [O-]c1cccnc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069871 568747264 /nfs/dbraw/zinc/74/72/64/568747264.db2.gz XODVTMLTGWOKQK-QFIPXVFZSA-N 0 3 411.506 2.090 40 0 HEABHN [O-]c1cccnc1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069871 568747265 /nfs/dbraw/zinc/74/72/65/568747265.db2.gz XODVTMLTGWOKQK-QFIPXVFZSA-N 0 3 411.506 2.090 40 0 HEABHN CN1CCN(c2ncc3c(n2)[C@@]2(CCN(Cc4ccc5c(c4)CCC5)C2)COC3)CC1 ZINC000248100897 568747488 /nfs/dbraw/zinc/74/74/88/568747488.db2.gz DVHSOGHZCYGPLB-RUZDIDTESA-N 0 3 419.573 2.391 40 0 HEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)nc3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257220863 568782275 /nfs/dbraw/zinc/78/22/75/568782275.db2.gz DMMHULRMMDJAOU-CZYKHXBRSA-N 0 3 411.502 2.174 40 0 HEABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(CN)c3)C2)c2cnccc2n1 ZINC000257236462 568786525 /nfs/dbraw/zinc/78/65/25/568786525.db2.gz HCIHCPWEWAKHPR-HSZRJFAPSA-N 0 3 405.502 2.110 40 0 HEABHN COc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)N4CCOCC4)c(C)n3)C2)cc1 ZINC000257247539 568789548 /nfs/dbraw/zinc/78/95/48/568789548.db2.gz IZKQWTSWNQMTHD-HXUWFJFHSA-N 0 3 424.545 2.493 40 0 HEABHN CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000257272758 568796379 /nfs/dbraw/zinc/79/63/79/568796379.db2.gz NDSWKOWNNGAHIH-QHCPKHFHSA-N 0 3 409.534 2.176 40 0 HEABHN CN(C)C(=O)NC[C@@H]1N(C(=O)Cc2cccc(F)c2)CCCC12CCN(C)CC2 ZINC000306130046 568892546 /nfs/dbraw/zinc/89/25/46/568892546.db2.gz IUZKWSCNJYVACE-IBGZPJMESA-N 0 3 404.530 2.342 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2cccc(F)c2)C1 ZINC000306131413 568893738 /nfs/dbraw/zinc/89/37/38/568893738.db2.gz KDWABVXMLRJXSL-OAQYLSRUSA-N 0 3 412.490 2.201 40 0 HEABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306139625 568901323 /nfs/dbraw/zinc/90/13/23/568901323.db2.gz TWBXORBXMIDBBG-UHFFFAOYSA-N 0 3 401.486 2.022 40 0 HEABHN COc1c(F)cc(F)cc1CN1CCO[C@@]2(CCCC[C@@H]2NCC(=O)N(C)C)C1 ZINC000306144560 568905838 /nfs/dbraw/zinc/90/58/38/568905838.db2.gz ZIRRCGMGGFPHTE-RXVVDRJESA-N 0 3 411.493 2.165 40 0 HEABHN COC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1OC ZINC000329036653 568973906 /nfs/dbraw/zinc/97/39/06/568973906.db2.gz RKUFRNPOIAAZLB-UHFFFAOYSA-N 0 3 421.501 2.500 40 0 HEABHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 ZINC000224314311 569057113 /nfs/dbraw/zinc/05/71/13/569057113.db2.gz BABQVJIOIBMPBC-UHFFFAOYSA-N 0 3 416.334 2.360 40 0 HEABHN C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCCC1)[C@@]1(C2)NC(=O)c2cccnc2N1 ZINC000253595710 569318306 /nfs/dbraw/zinc/31/83/06/569318306.db2.gz HRJRKHBJKIHOJX-OPDBOEGZSA-N 0 3 411.550 2.362 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O ZINC000019699909 569347153 /nfs/dbraw/zinc/34/71/53/569347153.db2.gz SVBPYDWUMQAPPV-SFHVURJKSA-N 0 3 404.555 2.354 40 0 HEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000019709602 569348091 /nfs/dbraw/zinc/34/80/91/569348091.db2.gz OFYDGMRDCUUXGW-INIZCTEOSA-N 0 3 403.552 2.139 40 0 HEABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1 ZINC000008299219 291203474 /nfs/dbraw/zinc/20/34/74/291203474.db2.gz PYPXVEFUSIRPQE-FCEUIQTBSA-N 0 3 410.566 2.145 40 0 biogenic,in-vitro HEABHN Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CCN[C@@H]1CCS(=O)(=O)C1 ZINC000019719675 558258201 /nfs/dbraw/zinc/25/82/01/558258201.db2.gz KQKNUZDLLGALKM-GOSISDBHSA-N 0 3 413.547 2.438 40 0 HEABHN CCn1c2ccc(S(=O)(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)cc2oc1=O ZINC000012239176 558359949 /nfs/dbraw/zinc/35/99/49/558359949.db2.gz OMNHQYFKWYCVCS-KRWDZBQOSA-N 0 3 415.515 2.415 40 0 HEABHN COc1ccc2c(c1)c(CN1CCC(N3C[C@@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741487 558802363 /nfs/dbraw/zinc/80/23/63/558802363.db2.gz FBQLRYYVPBUBAT-CALCHBBNSA-N 0 3 414.550 2.209 40 0 HEABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccc5c(c4)n(C)c(=O)n5C)C3)cc(N)n2n1 ZINC000019129290 558845231 /nfs/dbraw/zinc/84/52/31/558845231.db2.gz VBERPDPEQVIPLC-MRXNPFEDSA-N 0 3 405.506 2.190 40 0 HEABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497115 558895922 /nfs/dbraw/zinc/89/59/22/558895922.db2.gz FFVKRDIZNWKYLF-ZIAGYGMSSA-N 0 3 411.506 2.303 40 0 HEABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497115 558895924 /nfs/dbraw/zinc/89/59/24/558895924.db2.gz FFVKRDIZNWKYLF-ZIAGYGMSSA-N 0 3 411.506 2.303 40 0 HEABHN CC(=O)NCc1ccc([C@H]2CN(Cc3cnc(C)s3)C[C@@H]2C(=O)N(C)C)cc1 ZINC000072370195 558956330 /nfs/dbraw/zinc/95/63/30/558956330.db2.gz TWIFLUXNVJOAPU-UXHICEINSA-N 0 3 400.548 2.391 40 0 HEABHN CNc1nc([C@@H]2CCCN2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707270 558969455 /nfs/dbraw/zinc/96/94/55/558969455.db2.gz LWLDSSKXRFRFEB-INIZCTEOSA-N 0 3 411.506 2.281 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585104243 559026869 /nfs/dbraw/zinc/02/68/69/559026869.db2.gz OPOZQYYXYAMFBD-RTBURBONSA-N 0 3 408.564 2.012 40 0 HEABHN C[C@@H]1CCN(C[C@@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C[C@H]1O ZINC000585105135 559027654 /nfs/dbraw/zinc/02/76/54/559027654.db2.gz ZCYKQSSMODTAMS-HLAWJBBLSA-N 0 3 422.591 2.090 40 0 HEABHN CNC(=O)c1sc2nc(C3(C)CCN(C(=O)CN4CCCC4)CC3)ccc2c1N ZINC000585182365 559070116 /nfs/dbraw/zinc/07/01/16/559070116.db2.gz PRQMCIPBQVKKBB-UHFFFAOYSA-N 0 3 415.563 2.214 40 0 HEABHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243593 559104783 /nfs/dbraw/zinc/10/47/83/559104783.db2.gz LRNQMRCGBPBDLS-HXUWFJFHSA-N 0 3 410.518 2.308 40 0 HEABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585290551 559122996 /nfs/dbraw/zinc/12/29/96/559122996.db2.gz CKLXSSMYJGIEKM-CTNGQTDRSA-N 0 3 422.447 2.362 40 0 HEABHN COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1 ZINC000113933287 559182234 /nfs/dbraw/zinc/18/22/34/559182234.db2.gz AFKWAUSSWQXIIG-UHFFFAOYSA-N 0 3 417.531 2.101 40 0 HEABHN CC(C)CNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160523 560601449 /nfs/dbraw/zinc/60/14/49/560601449.db2.gz VWKHNJNQFADVAQ-UHFFFAOYSA-N 0 3 418.563 2.193 40 0 HEABHN CCn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000005001527 560620133 /nfs/dbraw/zinc/62/01/33/560620133.db2.gz HYOXXMHTZLVUQO-IAGOWNOFSA-N 0 3 407.584 2.371 40 0 HEABHN CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000224801047 568597432 /nfs/dbraw/zinc/59/74/32/568597432.db2.gz NVVVUZUIAUYJFM-UHFFFAOYSA-N 0 3 408.545 2.164 40 0 HEABHN CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225415165 568635609 /nfs/dbraw/zinc/63/56/09/568635609.db2.gz QOFISUDVPDTFBR-UHFFFAOYSA-N 0 3 403.504 2.320 40 0 HEABHN CN(CC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000225555353 568650812 /nfs/dbraw/zinc/65/08/12/568650812.db2.gz QRICSMQVKNDGEN-UHFFFAOYSA-N 0 3 417.531 2.419 40 0 HEABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cn1 ZINC000225944818 568688045 /nfs/dbraw/zinc/68/80/45/568688045.db2.gz VFGDRDJOEWENDZ-UHFFFAOYSA-N 0 3 413.474 2.438 40 0 HEABHN CN(C)CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H](n3ccnc3)[C@@H]2O)cc1 ZINC000257203756 568777137 /nfs/dbraw/zinc/77/71/37/568777137.db2.gz ARMWWMYJAXVPRJ-NJDAHSKKSA-N 0 3 400.523 2.440 40 0 HEABHN CC(C)(C)c1ccc(OCC(N)=O)c(CN2CC[C@H](O)[C@@H](n3ccnc3)CC2)c1 ZINC000257226367 568783941 /nfs/dbraw/zinc/78/39/41/568783941.db2.gz FKIXXNUJSUZDCF-OALUTQOASA-N 0 3 400.523 2.243 40 0 HEABHN CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000257321124 568810884 /nfs/dbraw/zinc/81/08/84/568810884.db2.gz WAEIAMZKRVHLOW-DYXWJJEUSA-N 0 3 414.937 2.187 40 0 HEABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)s1 ZINC000306123808 568886898 /nfs/dbraw/zinc/88/68/98/568886898.db2.gz AXMWTJWPWACBEZ-FQEVSTJZSA-N 0 3 402.520 2.065 40 0 HEABHN CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccn(C)n2)CC1 ZINC000306126758 568889545 /nfs/dbraw/zinc/88/95/45/568889545.db2.gz FENULFZNFJKCLP-UHFFFAOYSA-N 0 3 420.517 2.369 40 0 HEABHN CC(C)n1cc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306127276 568889922 /nfs/dbraw/zinc/88/99/22/568889922.db2.gz FTYWOYQVZZJNBH-UXHICEINSA-N 0 3 419.533 2.290 40 0 HEABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4cccnc4)CC3)O2)cc1 ZINC000306142507 568904049 /nfs/dbraw/zinc/90/40/49/568904049.db2.gz XBDDGWADJYUSQO-JOCHJYFZSA-N 0 3 408.546 2.372 40 0 HEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167126 568926880 /nfs/dbraw/zinc/92/68/80/568926880.db2.gz VZNMCNOMUINIOL-DYXWJJEUSA-N 0 3 417.483 2.172 40 0 HEABHN C[C@]1(N(CCN)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575420176 569025927 /nfs/dbraw/zinc/02/59/27/569025927.db2.gz ACMAFWNIGCCHPE-IBGZPJMESA-N 0 3 414.593 2.261 40 0 HEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C)c2)n1 ZINC000019760858 569429611 /nfs/dbraw/zinc/42/96/11/569429611.db2.gz RMOZFJNTKHMJLN-QGZVFWFLSA-N 0 3 419.551 2.105 40 0 HEABHN CCCN1CCCc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719577 558257870 /nfs/dbraw/zinc/25/78/70/558257870.db2.gz WVSMRQZRHWGCFS-LJQANCHMSA-N 0 3 402.564 2.489 40 0 HEABHN CC(C)N1CCCc2cc(-c3cncn3CCN[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719575 558257991 /nfs/dbraw/zinc/25/79/91/558257991.db2.gz RMPIELIJKVAAPZ-LJQANCHMSA-N 0 3 402.564 2.488 40 0 HEABHN C[C@@H](CNC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O)N1CCCCC1 ZINC000019750174 558270253 /nfs/dbraw/zinc/27/02/53/558270253.db2.gz DICHTVJALDALQJ-INIZCTEOSA-N 0 3 414.481 2.230 40 0 HEABHN C[C@H](CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)N1CCCCC1 ZINC000019750703 558270478 /nfs/dbraw/zinc/27/04/78/558270478.db2.gz XTFHLVRZTCWVOC-MRXNPFEDSA-N 0 3 414.481 2.230 40 0 HEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccccc1 ZINC000020636911 558396473 /nfs/dbraw/zinc/39/64/73/558396473.db2.gz CFNCQLHKNUXGSO-WOJBJXKFSA-N 0 3 424.476 2.354 40 0 HEABHN Cc1csc([C@@H](Cc2cccs2)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000019240029 558858677 /nfs/dbraw/zinc/85/86/77/558858677.db2.gz HPGFJRATKNEXLP-GOEBONIOSA-N 0 3 406.577 2.323 40 0 HEABHN CCN1CCN(C2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000019528127 558909286 /nfs/dbraw/zinc/90/92/86/558909286.db2.gz IYXDUNYEZZMONK-UHFFFAOYSA-N 0 3 403.552 2.359 40 0 HEABHN COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555207 558918329 /nfs/dbraw/zinc/91/83/29/558918329.db2.gz MHHUIOSUSOPUIY-GOSISDBHSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccc(C[N@H+]2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555207 558918331 /nfs/dbraw/zinc/91/83/31/558918331.db2.gz MHHUIOSUSOPUIY-GOSISDBHSA-N 0 3 422.529 2.453 40 0 HEABHN CN(C)CCN(C)CC(=O)N1C[C@H](c2csnn2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000019582465 558937284 /nfs/dbraw/zinc/93/72/84/558937284.db2.gz DHCBRJFGLMDEQS-SJORKVTESA-N 0 3 407.971 2.395 40 0 HEABHN COc1cccc(OC)c1C(=O)N1CCN(C(=O)[C@H]2CCN2C2CCCCC2)CC1 ZINC000019656002 558949034 /nfs/dbraw/zinc/94/90/34/558949034.db2.gz AWAMCEKDFBRHAR-GOSISDBHSA-N 0 3 415.534 2.395 40 0 HEABHN C=Cn1cc(C[NH+]2CCC(c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)CC2)c(C)n1 ZINC000072399006 558976518 /nfs/dbraw/zinc/97/65/18/558976518.db2.gz GTWNBNUTPNGJBJ-UHFFFAOYSA-N 0 3 422.533 2.050 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585104237 559026828 /nfs/dbraw/zinc/02/68/28/559026828.db2.gz OPOZQYYXYAMFBD-MOPGFXCFSA-N 0 3 408.564 2.012 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106625 559028949 /nfs/dbraw/zinc/02/89/49/559028949.db2.gz CZFKQQCFUBGHDH-DHLKQENFSA-N 0 3 421.541 2.014 40 0 HEABHN COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCCCO)cc3)C[C@H]2O)cc1 ZINC000585269865 559116084 /nfs/dbraw/zinc/11/60/84/559116084.db2.gz NOYLHONYTJJCDQ-DHIUTWEWSA-N 0 3 400.519 2.134 40 0 HEABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@]1(O)CCCN(c2ncccn2)C1 ZINC000585269898 559116117 /nfs/dbraw/zinc/11/61/17/559116117.db2.gz PBFZPKFJHVMHOK-HSZRJFAPSA-N 0 3 422.533 2.252 40 0 HEABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283133 559120499 /nfs/dbraw/zinc/12/04/99/559120499.db2.gz QCHOGFYVMMYBIY-NRFANRHFSA-N 0 3 410.486 2.197 40 0 HEABHN CCC(CC)N1CCN(C(=O)COC)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284577 559121120 /nfs/dbraw/zinc/12/11/20/559121120.db2.gz YOMBWBYWRGOQMD-FQEVSTJZSA-N 0 3 400.466 2.054 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cc(F)cc(F)c2)C1 ZINC000585284294 559121185 /nfs/dbraw/zinc/12/11/85/559121185.db2.gz JMFVJDNAKPROSI-RBBKRZOGSA-N 0 3 404.457 2.012 40 0 HEABHN CC(=O)N1CCN(CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284724 559121273 /nfs/dbraw/zinc/12/12/73/559121273.db2.gz ZFZOQXRYAPWVHJ-QHCPKHFHSA-N 0 3 422.541 2.493 40 0 HEABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 ZINC000004133479 560600569 /nfs/dbraw/zinc/60/05/69/560600569.db2.gz ZGBOOLNXGGDBQB-GOSISDBHSA-N 0 3 402.564 2.254 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1C(=O)N1CCC(C)CC1 ZINC000010539146 560769831 /nfs/dbraw/zinc/76/98/31/560769831.db2.gz XHOUXOPJJCUHPJ-UHFFFAOYSA-N 0 3 423.579 2.332 40 0 HEABHN CNC(=O)c1sc2nc([C@@H]3CCCN3C(=O)C3CCN(C)CC3)ccc2c1N ZINC000257278219 568797937 /nfs/dbraw/zinc/79/79/37/568797937.db2.gz OBIHJAJFZYCYLS-HNNXBMFYSA-N 0 3 401.536 2.243 40 0 HEABHN Cc1cccc(Nc2cncc(C3CCN(CCC(=O)N4CCOCC4)CC3)n2)n1 ZINC000257317862 568809548 /nfs/dbraw/zinc/80/95/48/568809548.db2.gz VLMXMRLGIDZJFJ-UHFFFAOYSA-N 0 3 410.522 2.352 40 0 HEABHN Cc1ncsc1CN1CCC2(CCn3c2nn(Cc2ccccc2)c(=O)c3=O)CC1 ZINC000306126315 568889058 /nfs/dbraw/zinc/88/90/58/568889058.db2.gz DSIUEVKPYZLMND-UHFFFAOYSA-N 0 3 423.542 2.156 40 0 HEABHN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@]2(CCCC[C@H]2N2CCCC2)C1 ZINC000306128456 568891222 /nfs/dbraw/zinc/89/12/22/568891222.db2.gz HAVWAOMBYRDTNU-CRAIPNDOSA-N 0 3 416.975 2.180 40 0 HEABHN CN(C)C(=O)N1CCC[C@H]1c1nc(C(=O)NCCN2CCCCC2)c2ccccn21 ZINC000306131004 568893367 /nfs/dbraw/zinc/89/33/67/568893367.db2.gz JULFUFCIAXEDOB-SFHVURJKSA-N 0 3 412.538 2.369 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccncc4)C[C@@H]2C3)cc1 ZINC000306139303 568901057 /nfs/dbraw/zinc/90/10/57/568901057.db2.gz SUFDIQOYOOXGHX-IRXDYDNUSA-N 0 3 404.474 2.238 40 0 HEABHN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc(O)cc4)C2)COC3)C[C@H](C)O1 ZINC000306142210 568903765 /nfs/dbraw/zinc/90/37/65/568903765.db2.gz WTMGLZOOEZPVDL-MFEFFIJZSA-N 0 3 410.518 2.470 40 0 HEABHN Cc1nc(CN2CC3(CCN(C)CC3)COc3ncccc3S2(=O)=O)cs1 ZINC000306145023 568906305 /nfs/dbraw/zinc/90/63/05/568906305.db2.gz ZVIRUISLVVLEPT-UHFFFAOYSA-N 0 3 408.549 2.142 40 0 HEABHN CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699396 569346988 /nfs/dbraw/zinc/34/69/88/569346988.db2.gz KAXBTIDAWMZAIO-IBGZPJMESA-N 0 3 412.534 2.220 40 0 HEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(C)c2C)cc1 ZINC000013647939 558557417 /nfs/dbraw/zinc/55/74/17/558557417.db2.gz AOIQYLYCCBZIEQ-UHFFFAOYSA-N 0 3 403.548 2.485 40 0 HEABHN O=C1NC(=O)C(c2cnc3ccccn32)=C1c1cn2c3c1cc(F)cc3CNCC2 ZINC000137408685 558655088 /nfs/dbraw/zinc/65/50/88/558655088.db2.gz VCNHSKHGFXUGRH-UHFFFAOYSA-N 0 3 401.401 2.099 40 0 HEABHN O=S(=O)(c1ccccc1F)N1C[C@H]2CCCN2C[C@H]1Cn1nnc2ccccc21 ZINC000036735043 558801383 /nfs/dbraw/zinc/80/13/83/558801383.db2.gz JEFGUQIDXKWKJY-CVEARBPZSA-N 0 3 415.494 2.108 40 0 HEABHN CC(C)(C)c1nnc(NC(=O)CN2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)s1 ZINC000019084813 558840966 /nfs/dbraw/zinc/84/09/66/558840966.db2.gz XUEICJCHINOLGQ-FKEKPDDDSA-N 0 3 407.584 2.207 40 0 HEABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@@H]1CCCN1C1CCOCC1 ZINC000019404189 558884473 /nfs/dbraw/zinc/88/44/73/558884473.db2.gz BECVHGKLUADVEO-FQEVSTJZSA-N 0 3 412.538 2.249 40 0 HEABHN NC(=O)c1cccc(-c2ccc(C3CCN(CCC(=O)N4CCOCC4)CC3)nc2)c1 ZINC000019689054 558958527 /nfs/dbraw/zinc/95/85/27/558958527.db2.gz LVCILSXUWFXXEK-UHFFFAOYSA-N 0 3 422.529 2.276 40 0 HEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccccc1)C2 ZINC000019710826 558972885 /nfs/dbraw/zinc/97/28/85/558972885.db2.gz AAVVLKJTQATMMP-UHFFFAOYSA-N 0 3 401.536 2.075 40 0 HEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@H](O)C4)C3)CC2)c1 ZINC000585103083 559026349 /nfs/dbraw/zinc/02/63/49/559026349.db2.gz CIIRWZWYQWNSES-RXVVDRJESA-N 0 3 418.534 2.172 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107280 559027765 /nfs/dbraw/zinc/02/77/65/559027765.db2.gz SDZNIGIXIUDJQT-UGKGYDQZSA-N 0 3 413.543 2.147 40 0 HEABHN COCCNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297635 559035420 /nfs/dbraw/zinc/03/54/20/559035420.db2.gz QXDLEPQGMNBOSM-POAQFYNOSA-N 0 3 415.563 2.043 40 0 biogenic,in-vitro HEABHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N2CCCC2)Cn2ccnc23)cc1 ZINC000096036830 559090661 /nfs/dbraw/zinc/09/06/61/559090661.db2.gz QVSHZDCLVMGGHQ-FQEVSTJZSA-N 0 3 410.518 2.404 40 0 HEABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096052916 559092683 /nfs/dbraw/zinc/09/26/83/559092683.db2.gz TYQFOYQTPKDJHW-KRWDZBQOSA-N 0 3 419.591 2.068 40 0 HEABHN COCCOc1cc(CN(C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585269617 559115599 /nfs/dbraw/zinc/11/55/99/559115599.db2.gz BZZZAOMPBFNOFM-QFIPXVFZSA-N 0 3 419.497 2.328 40 0 HEABHN CN(C)CCOc1ccc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc1 ZINC000585271392 559116799 /nfs/dbraw/zinc/11/67/99/559116799.db2.gz HQMDPDQQPWPTSF-QHCPKHFHSA-N 0 3 418.509 2.408 40 0 HEABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585282497 559120015 /nfs/dbraw/zinc/12/00/15/559120015.db2.gz LCRNGHXDVZJCPT-HXUWFJFHSA-N 0 3 414.449 2.028 40 0 HEABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585282664 559120196 /nfs/dbraw/zinc/12/01/96/559120196.db2.gz MLPUECVHXCEJKC-QFIPXVFZSA-N 0 3 408.514 2.449 40 0 HEABHN O=C(Cc1ccccc1)N1CC[C@](O)(CNCc2cccc(C(F)(F)F)c2)[C@@H](O)C1 ZINC000585285567 559121531 /nfs/dbraw/zinc/12/15/31/559121531.db2.gz QRSZQOMNOQNJMA-FPOVZHCZSA-N 0 3 422.447 2.362 40 0 HEABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133453 560600559 /nfs/dbraw/zinc/60/05/59/560600559.db2.gz ITWRDFCWHFGNKN-SFHVURJKSA-N 0 3 402.564 2.254 40 0 HEABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004133531 560600627 /nfs/dbraw/zinc/60/06/27/560600627.db2.gz IJDRPTHQWCZISP-UHFFFAOYSA-N 0 3 404.580 2.420 40 0 HEABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986876 560619320 /nfs/dbraw/zinc/61/93/20/560619320.db2.gz GHVBHXBDUNEJDP-YADHBBJMSA-N 0 3 422.529 2.435 40 0 HEABHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000409412759 560723029 /nfs/dbraw/zinc/72/30/29/560723029.db2.gz YOZQFRRGZLGRGO-HOJAQTOUSA-N 0 3 424.545 2.220 40 0 HEABHN CN([C@@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O ZINC000225764644 568672361 /nfs/dbraw/zinc/67/23/61/568672361.db2.gz JWDVTAHULBMFGW-OAQYLSRUSA-N 0 3 415.559 2.184 40 0 HEABHN CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)C2CCN(C)CC2)C1 ZINC000257212721 568779839 /nfs/dbraw/zinc/77/98/39/568779839.db2.gz CERDGPYPEPTHTA-HSZRJFAPSA-N 0 3 410.518 2.191 40 0 HEABHN CC(=O)N[C@]12CN(C)[C@H](c3ccccc3)[C@H]1CCN(CC(=O)NC1CCCCC1)C2 ZINC000257254640 568791536 /nfs/dbraw/zinc/79/15/36/568791536.db2.gz KEBLKTNNDKREMY-JRFVFWCSSA-N 0 3 412.578 2.319 40 0 HEABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3ccsc3)C1)C2 ZINC000306125014 568887886 /nfs/dbraw/zinc/88/78/86/568887886.db2.gz CEOSVTGCFICQFK-OAQYLSRUSA-N 0 3 412.490 2.102 40 0 HEABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306127357 568890261 /nfs/dbraw/zinc/89/02/61/568890261.db2.gz FWRSIHHKEGEYJR-OALUTQOASA-N 0 3 402.502 2.216 40 0 HEABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000306135603 568897498 /nfs/dbraw/zinc/89/74/98/568897498.db2.gz OVOJKVJXPMIZTI-WMZHIEFXSA-N 0 3 406.534 2.116 40 0 HEABHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1 ZINC000004971466 569071745 /nfs/dbraw/zinc/07/17/45/569071745.db2.gz LFFKJWIBRMQVRX-UHFFFAOYSA-N 0 3 405.564 2.386 40 0 HEABHN COc1ccc(C)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111546 569342896 /nfs/dbraw/zinc/34/28/96/569342896.db2.gz NOCJJIMQMHPBQV-UHFFFAOYSA-N 0 3 419.547 2.185 40 0 HEABHN C[C@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699468 569346999 /nfs/dbraw/zinc/34/69/99/569346999.db2.gz GKJXCGGXJQJDDX-FXAWDEMLSA-N 0 3 424.545 2.220 40 0 HEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709557 569348119 /nfs/dbraw/zinc/34/81/19/569348119.db2.gz QBDSSHLCYWVPRS-MRXNPFEDSA-N 0 3 412.538 2.089 40 0 HEABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccc3c2OCO3)CN(C)C(=O)C1 ZINC000096113425 291204240 /nfs/dbraw/zinc/20/42/40/291204240.db2.gz NZXQNKCTJRLPHP-SJLPKXTDSA-N 0 3 403.523 2.391 40 0 biogenic,in-vitro HEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C ZINC000408709032 557737101 /nfs/dbraw/zinc/73/71/01/557737101.db2.gz OHZBLNQBXRBQOL-IBGZPJMESA-N 0 3 422.529 2.464 40 0 HEABHN CN1CCC(N(C[C@@H]2CCCO2)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)CC1 ZINC000019083850 558840613 /nfs/dbraw/zinc/84/06/13/558840613.db2.gz AJMNEBLBQMNZAB-INIZCTEOSA-N 0 3 400.527 2.137 40 0 HEABHN CNC(=O)[C@@H]1CN(Cc2ccc(C)cc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019134131 558845980 /nfs/dbraw/zinc/84/59/80/558845980.db2.gz FXPKLDINUUEWKB-RTBURBONSA-N 0 3 409.534 2.355 40 0 HEABHN CC(=O)N1CCc2cc(NC(=O)[C@H](C)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000019456197 558892152 /nfs/dbraw/zinc/89/21/52/558892152.db2.gz APPXXEHYAJEHDA-QGZVFWFLSA-N 0 3 407.518 2.387 40 0 HEABHN C[N@@H+]1CCc2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[n-]c(=O)c2C1 ZINC000072398680 558976399 /nfs/dbraw/zinc/97/63/99/558976399.db2.gz FUKJVWQUSXILIK-UHFFFAOYSA-N 0 3 405.502 2.188 40 0 HEABHN C[N@H+]1CCc2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[n-]c(=O)c2C1 ZINC000072398680 558976401 /nfs/dbraw/zinc/97/64/01/558976401.db2.gz FUKJVWQUSXILIK-UHFFFAOYSA-N 0 3 405.502 2.188 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106626 559028946 /nfs/dbraw/zinc/02/89/46/559028946.db2.gz CZFKQQCFUBGHDH-RCZVLFRGSA-N 0 3 421.541 2.014 40 0 HEABHN O=C(c1cccs1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000096036347 559090049 /nfs/dbraw/zinc/09/00/49/559090049.db2.gz LODBFLJMFLJBJX-QFIPXVFZSA-N 0 3 410.543 2.388 40 0 HEABHN CN1CCN(C[C@@H]2CO[C@@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075626 559094516 /nfs/dbraw/zinc/09/45/16/559094516.db2.gz UWNXBPIFUKVYHA-NTKDMRAZSA-N 0 3 408.546 2.494 40 0 HEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585284134 559120009 /nfs/dbraw/zinc/12/00/09/559120009.db2.gz VDVDHLAKKFALJW-NRFANRHFSA-N 0 3 412.477 2.198 40 0 HEABHN COc1cccc(CNC[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)c1 ZINC000585284316 559121135 /nfs/dbraw/zinc/12/11/35/559121135.db2.gz JREJWGYOIFVJOK-RBBKRZOGSA-N 0 3 418.921 2.005 40 0 HEABHN COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(CN(C4CCCCC4)C3)C2)c1 ZINC000514290419 560029593 /nfs/dbraw/zinc/02/95/93/560029593.db2.gz YSCFOHQGJNZUKQ-FCHUYYIVSA-N 0 3 413.562 2.111 40 0 biogenic,in-vitro HEABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382193 568489404 /nfs/dbraw/zinc/48/94/04/568489404.db2.gz JTJSLBIBIMTWLE-UAFMIMERSA-N 0 3 405.926 2.009 40 0 biogenic,in-vitro HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 ZINC000604382636 568489543 /nfs/dbraw/zinc/48/95/43/568489543.db2.gz WIQKPOMQLZJSFQ-UGESXGAOSA-N 0 3 408.477 2.368 40 0 biogenic,in-vitro HEABHN CS(=O)(=O)N(CC(=O)NCCCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000222816037 568527168 /nfs/dbraw/zinc/52/71/68/568527168.db2.gz NEUCUWJNUUVVDA-UHFFFAOYSA-N 0 3 415.559 2.013 40 0 HEABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225086628 568613284 /nfs/dbraw/zinc/61/32/84/568613284.db2.gz HFEPVXAJTUEBOJ-INIZCTEOSA-N 0 3 407.536 2.273 40 0 HEABHN Cn1c2ccc(NC(=O)CN3C[C@H]4[C@@H](C3)CCC[C@@H]4Cc3cncnc3)cc2oc1=O ZINC000257274747 568796907 /nfs/dbraw/zinc/79/69/07/568796907.db2.gz NMLILIYYJASXAK-ZHALLVOQSA-N 0 3 421.501 2.451 40 0 HEABHN CNC(=O)c1sc2nc([C@H]3CCCN3C(=O)C3CCN(C)CC3)ccc2c1N ZINC000257278220 568797952 /nfs/dbraw/zinc/79/79/52/568797952.db2.gz OBIHJAJFZYCYLS-OAHLLOKOSA-N 0 3 401.536 2.243 40 0 HEABHN CC(C)(C)c1ccc(CN2CC[C@H](O)[C@@H](n3ccnc3)CC2)c(OCC(N)=O)c1 ZINC000257340187 568816175 /nfs/dbraw/zinc/81/61/75/568816175.db2.gz ZEYTYMXBJUJZJK-OALUTQOASA-N 0 3 400.523 2.243 40 0 HEABHN CN(C)C(=O)N1CCC[C@@H]1c1nc(C(=O)NCCN2CCCCC2)c2ccccn21 ZINC000306131003 568893318 /nfs/dbraw/zinc/89/33/18/568893318.db2.gz JULFUFCIAXEDOB-GOSISDBHSA-N 0 3 412.538 2.369 40 0 HEABHN COc1cccc(CN2CC[C@@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306136861 568898797 /nfs/dbraw/zinc/89/87/97/568898797.db2.gz QFFQAUZELUTHQM-JOCHJYFZSA-N 0 3 424.526 2.071 40 0 HEABHN COc1c(F)cc(F)cc1CN1CCO[C@]2(CCCC[C@H]2NCC(=O)N(C)C)C1 ZINC000306144561 568905825 /nfs/dbraw/zinc/90/58/25/568905825.db2.gz ZIRRCGMGGFPHTE-WIYYLYMNSA-N 0 3 411.493 2.165 40 0 HEABHN O=C(C1CCC1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699450 569346932 /nfs/dbraw/zinc/34/69/32/569346932.db2.gz YBPUSSZNYQPBGB-UHFFFAOYSA-N 0 3 424.545 2.364 40 0 HEABHN CN(CC(=O)N1CCCc2ccccc21)Cc1cc(N(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760142 569348894 /nfs/dbraw/zinc/34/88/94/569348894.db2.gz ZJJCXQHMQSCQHJ-IBGZPJMESA-N 0 3 408.550 2.378 40 0 HEABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000044885915 521778435 /nfs/dbraw/zinc/77/84/35/521778435.db2.gz CBZCDXIXXCZQFM-UHFFFAOYSA-N 0 3 422.378 2.213 40 0 HEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709889 557738687 /nfs/dbraw/zinc/73/86/87/557738687.db2.gz ZAEXBMFLKJOHTE-GOSISDBHSA-N 0 3 408.502 2.156 40 0 HEABHN C[C@@H](CN1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000019750165 558270282 /nfs/dbraw/zinc/27/02/82/558270282.db2.gz KYIIUNAMBHFWAP-INIZCTEOSA-N 0 3 414.481 2.230 40 0 HEABHN Cc1cc(NCCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c2ccccc2n1 ZINC000012239427 558360146 /nfs/dbraw/zinc/36/01/46/558360146.db2.gz MXBMREBZMAETPJ-UHFFFAOYSA-N 0 3 412.471 2.379 40 0 HEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccccc1 ZINC000020636914 558396529 /nfs/dbraw/zinc/39/65/29/558396529.db2.gz CFNCQLHKNUXGSO-VQTJNVASSA-N 0 3 424.476 2.354 40 0 HEABHN C[C@@H](C(=O)NCCN(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013632087 558552497 /nfs/dbraw/zinc/55/24/97/558552497.db2.gz KKFXXDYVLXEESH-INIZCTEOSA-N 0 3 405.520 2.311 40 0 HEABHN O=C(C1CCCC1)N1CCc2nc(C3CC[NH+](C4CCOCC4)CC3)[n-]c(=O)c2C1 ZINC000019014570 558836845 /nfs/dbraw/zinc/83/68/45/558836845.db2.gz WYVZJDREURGMIN-UHFFFAOYSA-N 0 3 414.550 2.203 40 0 HEABHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019211448 558848504 /nfs/dbraw/zinc/84/85/04/558848504.db2.gz PPKIQMYAGPDXKE-IBGZPJMESA-N 0 3 416.547 2.371 40 0 HEABHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019211448 558848506 /nfs/dbraw/zinc/84/85/06/558848506.db2.gz PPKIQMYAGPDXKE-IBGZPJMESA-N 0 3 416.547 2.371 40 0 HEABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)C[N@H+](C)CC5)C3)c2C1 ZINC000019497118 558895946 /nfs/dbraw/zinc/89/59/46/558895946.db2.gz FFVKRDIZNWKYLF-KBPBESRZSA-N 0 3 411.506 2.303 40 0 HEABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)C[N@@H+](C)CC5)C3)c2C1 ZINC000019497118 558895948 /nfs/dbraw/zinc/89/59/48/558895948.db2.gz FFVKRDIZNWKYLF-KBPBESRZSA-N 0 3 411.506 2.303 40 0 HEABHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000061031192 558944356 /nfs/dbraw/zinc/94/43/56/558944356.db2.gz ZRCGKZAFHONNDW-UHFFFAOYSA-N 0 3 409.552 2.084 40 0 HEABHN COc1ccccc1N1CCN(C(=O)CN2CCC[C@@H](Cn3ccnc3C)C2)CC1 ZINC000019658087 558949912 /nfs/dbraw/zinc/94/99/12/558949912.db2.gz UBSBFCJJXQFEBN-HXUWFJFHSA-N 0 3 411.550 2.261 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585104238 559026846 /nfs/dbraw/zinc/02/68/46/559026846.db2.gz OPOZQYYXYAMFBD-OALUTQOASA-N 0 3 408.564 2.012 40 0 HEABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056150 559093946 /nfs/dbraw/zinc/09/39/46/559093946.db2.gz LZTFWMNOCHPQIH-REWPJTCUSA-N 0 3 406.534 2.116 40 0 HEABHN CN(C)CCNC(=O)c1ccc2ccc(N3CCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000096155982 559100116 /nfs/dbraw/zinc/10/01/16/559100116.db2.gz ZYBXUCKOWGDQBD-UHFFFAOYSA-N 0 3 419.529 2.193 40 0 HEABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000585269901 559116127 /nfs/dbraw/zinc/11/61/27/559116127.db2.gz PKISHXGRBJBXDW-QHCPKHFHSA-N 0 3 422.533 2.252 40 0 HEABHN COCC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585282662 559120205 /nfs/dbraw/zinc/12/02/05/559120205.db2.gz MLPUECVHXCEJKC-JOCHJYFZSA-N 0 3 408.514 2.449 40 0 HEABHN COc1ccccc1CNC[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286121 559121800 /nfs/dbraw/zinc/12/18/00/559121800.db2.gz WAQOYLRKJOYPIU-PZJWPPBQSA-N 0 3 404.894 2.076 40 0 HEABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 ZINC000585288121 559123336 /nfs/dbraw/zinc/12/33/36/559123336.db2.gz WTZLVMTVGOGXBI-UNMCSNQZSA-N 0 3 406.523 2.101 40 0 HEABHN Cc1cccc(C(=O)N2CCC3(CN(Cc4cccnc4)C[C@@]34CCNC4=O)CC2)n1 ZINC000097952847 559124908 /nfs/dbraw/zinc/12/49/08/559124908.db2.gz QUYLLTQSOZFOOU-XMMPIXPASA-N 0 3 419.529 2.030 40 0 HEABHN COc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000113932866 559182256 /nfs/dbraw/zinc/18/22/56/559182256.db2.gz LGLMFBGYVYXUGZ-UHFFFAOYSA-N 0 3 417.531 2.101 40 0 HEABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342593 559283451 /nfs/dbraw/zinc/28/34/51/559283451.db2.gz ZPJODAOYNDBMBD-HSZRJFAPSA-N 0 3 414.525 2.126 40 0 HEABHN CN(C)c1cc(N2CCC[C@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 ZINC000257264886 559284888 /nfs/dbraw/zinc/28/48/88/559284888.db2.gz LWJVFUJKSKLTER-NRFANRHFSA-N 0 3 403.502 2.012 40 0 HEABHN COc1ccccc1CN1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289492 560032590 /nfs/dbraw/zinc/03/25/90/560032590.db2.gz MNAQRQMNXUYEPE-XZOQPEGZSA-N 0 3 407.558 2.243 40 0 biogenic,in-vitro HEABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004160525 560601441 /nfs/dbraw/zinc/60/14/41/560601441.db2.gz RVFHHKNDIHGBPN-UHFFFAOYSA-N 0 3 418.563 2.338 40 0 HEABHN CCn1c(SCCN2CCCC2)nnc1[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000005001528 560620130 /nfs/dbraw/zinc/62/01/30/560620130.db2.gz HYOXXMHTZLVUQO-DLBZAZTESA-N 0 3 407.584 2.371 40 0 HEABHN CN(C)CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000010111651 560763820 /nfs/dbraw/zinc/76/38/20/560763820.db2.gz KRABUQGHJVLHJB-UHFFFAOYSA-N 0 3 413.902 2.352 40 0 HEABHN O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000019332061 560872788 /nfs/dbraw/zinc/87/27/88/560872788.db2.gz SMZUVDRIOMJHDK-UHFFFAOYSA-N 0 3 414.550 2.048 40 0 HEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@H]1S(C)(=O)=O ZINC000242687751 568455539 /nfs/dbraw/zinc/45/55/39/568455539.db2.gz UUVZOKGAQXAXDM-WOSRLPQWSA-N 0 3 419.341 2.182 40 0 HEABHN CN1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1 ZINC000219143339 568487219 /nfs/dbraw/zinc/48/72/19/568487219.db2.gz VDELDBDKQDPISJ-UHFFFAOYSA-N 0 3 411.524 2.293 40 0 HEABHN CN1CCC(NC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)CC1 ZINC000219184185 568487763 /nfs/dbraw/zinc/48/77/63/568487763.db2.gz AFMKKWFSJNLDPO-UHFFFAOYSA-N 0 3 411.527 2.436 40 0 HEABHN CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(CN)c1 ZINC000257297773 568803838 /nfs/dbraw/zinc/80/38/38/568803838.db2.gz RISZRKBNPRUCKC-HSZRJFAPSA-N 0 3 405.502 2.192 40 0 HEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2sc(N)nc2C)CC1 ZINC000257338517 568815544 /nfs/dbraw/zinc/81/55/44/568815544.db2.gz YXUJNMZNGHJTEM-HXUWFJFHSA-N 0 3 403.552 2.308 40 0 HEABHN CCc1ccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)cc1 ZINC000306138026 568899926 /nfs/dbraw/zinc/89/99/26/568899926.db2.gz RNAYVYCLEKWTOF-HSZRJFAPSA-N 0 3 410.518 2.257 40 0 HEABHN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@]12CCN(Cc1ccsc1)C2 ZINC000306141632 568903217 /nfs/dbraw/zinc/90/32/17/568903217.db2.gz WCMRHCGXGNMUBJ-OAQYLSRUSA-N 0 3 414.579 2.492 40 0 HEABHN Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@H]2C1 ZINC000306143527 568904902 /nfs/dbraw/zinc/90/49/02/568904902.db2.gz YEQICXSMTWMIGI-DLBZAZTESA-N 0 3 408.531 2.277 40 0 HEABHN COc1c(F)cc(F)cc1CN1CCO[C@@]2(CCCC[C@H]2NCC(=O)N(C)C)C1 ZINC000306144559 568905841 /nfs/dbraw/zinc/90/58/41/568905841.db2.gz ZIRRCGMGGFPHTE-NQIIRXRSSA-N 0 3 411.493 2.165 40 0 HEABHN CN(CC(=O)N1CCCc2ccccc21)Cc1cc(N(C)C)nc([C@H]2CCCN2)n1 ZINC000019760145 569348886 /nfs/dbraw/zinc/34/88/86/569348886.db2.gz ZJJCXQHMQSCQHJ-LJQANCHMSA-N 0 3 408.550 2.378 40 0 HEABHN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCCCCC3)C2)cc1 ZINC000026111369 569349889 /nfs/dbraw/zinc/34/98/89/569349889.db2.gz KJQVVKWZCFXKDP-SFHVURJKSA-N 0 3 423.579 2.088 40 0 HEABHN CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111865 291202640 /nfs/dbraw/zinc/20/26/40/291202640.db2.gz WTNZZJNUNBFNTR-UNMCSNQZSA-N 0 3 420.513 2.461 40 0 biogenic,in-vitro HEABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008254141 291212154 /nfs/dbraw/zinc/21/21/54/291212154.db2.gz MQIHTWHOIWUMTF-QFUCXCTJSA-N 0 3 418.501 2.073 40 0 biogenic,in-vitro HEABHN Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CCN[C@H]1CCS(=O)(=O)C1 ZINC000019719734 558258280 /nfs/dbraw/zinc/25/82/80/558258280.db2.gz RWLAOEIVVFALHI-KRWDZBQOSA-N 0 3 417.510 2.268 40 0 HEABHN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)cc2)cc1 ZINC000013670355 558561757 /nfs/dbraw/zinc/56/17/57/558561757.db2.gz ZGZZBJBSMDLHRT-UHFFFAOYSA-N 0 3 419.547 2.267 40 0 HEABHN CC(C)(CN1CCCCC1)NC(=O)c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000019661880 558952924 /nfs/dbraw/zinc/95/29/24/558952924.db2.gz YEKNQJCUGQVOBA-MRXNPFEDSA-N 0 3 408.568 2.114 40 0 HEABHN Cc1cnc(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cn1 ZINC000072394957 558973831 /nfs/dbraw/zinc/97/38/31/558973831.db2.gz XISZDQYKCTYDHA-UXHICEINSA-N 0 3 409.534 2.214 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103093 559026453 /nfs/dbraw/zinc/02/64/53/559026453.db2.gz CTHRVBXJVHQOQL-LJQANCHMSA-N 0 3 408.564 2.012 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585104240 559026903 /nfs/dbraw/zinc/02/69/03/559026903.db2.gz OPOZQYYXYAMFBD-RBUKOAKNSA-N 0 3 408.564 2.012 40 0 HEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)c1 ZINC000585104245 559026907 /nfs/dbraw/zinc/02/69/07/559026907.db2.gz OQRHTKIJRVEBMO-OAQYLSRUSA-N 0 3 418.534 2.172 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107273 559027786 /nfs/dbraw/zinc/02/77/86/559027786.db2.gz SDZNIGIXIUDJQT-DENIHFKCSA-N 0 3 413.543 2.147 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107556 559028050 /nfs/dbraw/zinc/02/80/50/559028050.db2.gz ZPAIZKYESXDEAY-URXFXBBRSA-N 0 3 407.514 2.085 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107557 559028058 /nfs/dbraw/zinc/02/80/58/559028058.db2.gz ZPAIZKYESXDEAY-XUZZJYLKSA-N 0 3 407.514 2.085 40 0 HEABHN CC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585287501 559123153 /nfs/dbraw/zinc/12/31/53/559123153.db2.gz NJUUXGSAIMOAHL-JOCHJYFZSA-N 0 3 408.514 2.103 40 0 HEABHN CCC(CC)N1CCN(C(=O)COC)C[C@](O)(COc2cccc(F)c2F)C1 ZINC000585288042 559123187 /nfs/dbraw/zinc/12/31/87/559123187.db2.gz UWLMRBFAUVVTOY-FQEVSTJZSA-N 0 3 400.466 2.054 40 0 HEABHN CC(=O)N[C@H]1CC[C@](CNC(=O)CN(C)C2CCCC2)(c2ccccc2)CC[C@@H]1O ZINC000257216126 559282750 /nfs/dbraw/zinc/28/27/50/559282750.db2.gz CTETWIOCQPXJMQ-FIXSFTCYSA-N 0 3 415.578 2.355 40 0 HEABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000257342594 559283496 /nfs/dbraw/zinc/28/34/96/559283496.db2.gz ZPJODAOYNDBMBD-QHCPKHFHSA-N 0 3 414.525 2.126 40 0 HEABHN CN(C)c1cc(N2CCC[C@@](O)(CNCc3ccc(OCCF)cc3)C2)ncn1 ZINC000257264887 559284906 /nfs/dbraw/zinc/28/49/06/559284906.db2.gz LWJVFUJKSKLTER-OAQYLSRUSA-N 0 3 403.502 2.012 40 0 HEABHN Cc1ccc(CN2CC[C@@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306128587 568891366 /nfs/dbraw/zinc/89/13/66/568891366.db2.gz HFPZJKNXNRECBV-JOCHJYFZSA-N 0 3 408.527 2.272 40 0 HEABHN Cc1cc(C)cc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)c1 ZINC000306128726 568891457 /nfs/dbraw/zinc/89/14/57/568891457.db2.gz HJBJGFOJLZALIO-QHCPKHFHSA-N 0 3 410.518 2.312 40 0 HEABHN COCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306134564 568896519 /nfs/dbraw/zinc/89/65/19/568896519.db2.gz NRUTZQJJBZMJCE-UHFFFAOYSA-N 0 3 401.486 2.022 40 0 HEABHN Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)NCc4ccccc4)n3C[C@@H]2C1 ZINC000306143530 568904970 /nfs/dbraw/zinc/90/49/70/568904970.db2.gz YEQICXSMTWMIGI-SJORKVTESA-N 0 3 408.531 2.277 40 0 HEABHN COc1c(F)cc(F)cc1CN1CCO[C@]2(CCCC[C@@H]2NCC(=O)N(C)C)C1 ZINC000306144558 568905937 /nfs/dbraw/zinc/90/59/37/568905937.db2.gz ZIRRCGMGGFPHTE-GHTZIAJQSA-N 0 3 411.493 2.165 40 0 HEABHN Cc1ccc(CNCCN(Cc2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575421482 569025818 /nfs/dbraw/zinc/02/58/18/569025818.db2.gz QRJVBUXDSINKRT-YADHBBJMSA-N 0 3 402.560 2.053 40 0 HEABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C ZINC000575423723 569026362 /nfs/dbraw/zinc/02/63/62/569026362.db2.gz QWEQDYHSZGKWBJ-SFHVURJKSA-N 0 3 416.609 2.213 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O ZINC000019699796 569347067 /nfs/dbraw/zinc/34/70/67/569347067.db2.gz RFFBJERQXQELTI-OAHLLOKOSA-N 0 3 404.536 2.067 40 0 HEABHN O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000039448942 571132050 /nfs/dbraw/zinc/13/20/50/571132050.db2.gz HJEGIRWOFIMMPS-UHFFFAOYSA-N 0 3 412.534 2.337 40 0 HEABHN COCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008297638 291206529 /nfs/dbraw/zinc/20/65/29/291206529.db2.gz QXDLEPQGMNBOSM-HQRMLTQVSA-N 0 3 415.563 2.043 40 0 biogenic,in-vitro HEABHN O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)Nc1ccccc1 ZINC000035442291 291211448 /nfs/dbraw/zinc/21/14/48/291211448.db2.gz RNANDHWEKAKWMF-HBMCJLEFSA-N 0 3 410.493 2.276 40 0 biogenic,in-vitro HEABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1I ZINC000010450153 558257591 /nfs/dbraw/zinc/25/75/91/558257591.db2.gz RDUVQTSQORADBU-UHFFFAOYSA-N 0 3 424.304 2.064 40 0 HEABHN COCCn1c2nc(C3CCN(Cc4ccccc4)CC3)ccc2c(=O)n(C)c1=O ZINC000019743580 558264192 /nfs/dbraw/zinc/26/41/92/558264192.db2.gz JZHWGOVOTHCIFC-UHFFFAOYSA-N 0 3 408.502 2.121 40 0 HEABHN Cc1cc(C)n2ncc(CN3CC=CC[C@@]4(C(=O)N5CCN(C)CC5)CCC[C@@H]34)c2n1 ZINC000019116582 558842110 /nfs/dbraw/zinc/84/21/10/558842110.db2.gz JGWRIBNLBVEJIZ-ZJSXRUAMSA-N 0 3 422.577 2.421 40 0 HEABHN O=C1CCOC[C@]2(CN(Cc3ccccc3-n3cccn3)C[C@H]2c2cccnc2)N1 ZINC000019349471 558875182 /nfs/dbraw/zinc/87/51/82/558875182.db2.gz VZHXNZLXHSEMKD-REWPJTCUSA-N 0 3 403.486 2.142 40 0 HEABHN COc1cccc(OC)c1C(=O)N1CCN(C(=O)[C@@H]2CCN2C2CCCCC2)CC1 ZINC000019656000 558949072 /nfs/dbraw/zinc/94/90/72/558949072.db2.gz AWAMCEKDFBRHAR-SFHVURJKSA-N 0 3 415.534 2.395 40 0 HEABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394858 558973865 /nfs/dbraw/zinc/97/38/65/558973865.db2.gz NHLBVQOKHNKKMB-FGZHOGPDSA-N 0 3 421.541 2.475 40 0 HEABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1cc(OC)no1)CC2 ZINC000585103852 559025889 /nfs/dbraw/zinc/02/58/89/559025889.db2.gz RRESNEMUPCHAAZ-QGZVFWFLSA-N 0 3 400.479 2.222 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107555 559028068 /nfs/dbraw/zinc/02/80/68/559028068.db2.gz ZPAIZKYESXDEAY-QPPBQGQZSA-N 0 3 407.514 2.085 40 0 HEABHN O=C(NCC1CCOCC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000585108746 559030274 /nfs/dbraw/zinc/03/02/74/559030274.db2.gz TUXARAYUXYZETA-MDNUFGMLSA-N 0 3 424.545 2.395 40 0 HEABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cccnc1)CC2 ZINC000096143630 559096185 /nfs/dbraw/zinc/09/61/85/559096185.db2.gz ANRKOIIDZJBMMX-LEWJYISDSA-N 0 3 419.529 2.062 40 0 HEABHN O[C@H]1[C@H](Oc2ccccc2)C[C@@H](NCc2ccccc2F)[C@@H]1N1CCC(O)CC1 ZINC000585262395 559110935 /nfs/dbraw/zinc/11/09/35/559110935.db2.gz MJWHCSYKILHOQX-LUKWVAJMSA-N 0 3 400.494 2.321 40 0 HEABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCOCCO)cc1 ZINC000585269870 559116193 /nfs/dbraw/zinc/11/61/93/559116193.db2.gz OADTWTHZJZWBGJ-FQEVSTJZSA-N 0 3 419.518 2.345 40 0 HEABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000585270701 559116420 /nfs/dbraw/zinc/11/64/20/559116420.db2.gz PHSJDQWKYCGHJF-HSZRJFAPSA-N 0 3 407.518 2.467 40 0 HEABHN Cc1ccc(CNC[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585283228 559120502 /nfs/dbraw/zinc/12/05/02/559120502.db2.gz DONLRVWYYZRLCT-RBBKRZOGSA-N 0 3 402.922 2.305 40 0 HEABHN CCC(CC)N1CCN(C(=O)COC)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585284578 559121303 /nfs/dbraw/zinc/12/13/03/559121303.db2.gz YOMBWBYWRGOQMD-HXUWFJFHSA-N 0 3 400.466 2.054 40 0 HEABHN COc1ccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585285268 559121540 /nfs/dbraw/zinc/12/15/40/559121540.db2.gz QEFJLALKQFJPMB-FPOVZHCZSA-N 0 3 404.894 2.076 40 0 HEABHN Cc1cccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)c1C ZINC000585290990 559123543 /nfs/dbraw/zinc/12/35/43/559123543.db2.gz YUPPSXBLEYSFSB-IRLDBZIGSA-N 0 3 402.922 2.223 40 0 HEABHN Cc1cccc(C(=O)N2CCC3(CN(Cc4cccnc4)C[C@]34CCNC4=O)CC2)n1 ZINC000097952848 559124956 /nfs/dbraw/zinc/12/49/56/559124956.db2.gz QUYLLTQSOZFOOU-DEOSSOPVSA-N 0 3 419.529 2.030 40 0 HEABHN COc1ccc(CN2CCC3(CN(c4ncccn4)C[C@@]34CCN(C)C4=O)CC2)cc1 ZINC000097952864 559124975 /nfs/dbraw/zinc/12/49/75/559124975.db2.gz XWXIMBXQNZVUFN-XMMPIXPASA-N 0 3 421.545 2.436 40 0 HEABHN CN1CCC(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000113962658 559184100 /nfs/dbraw/zinc/18/41/00/559184100.db2.gz VNVJICNSEQRCDH-UHFFFAOYSA-N 0 3 421.485 2.462 40 0 HEABHN NS(=O)(=O)c1ccc(N2CCN(CC[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000005162669 560201140 /nfs/dbraw/zinc/20/11/40/560201140.db2.gz WNUQCGWXPNGORO-OAQYLSRUSA-N 0 3 401.532 2.160 40 0 in-vitro HEABHN Cc1nccc(C[C@H]2[C@H](NCc3ccc(OC(F)(F)F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382402 568489500 /nfs/dbraw/zinc/48/95/00/568489500.db2.gz QSIWCJIRIGKOMB-NCXUSEDFSA-N 0 3 411.424 2.374 40 0 biogenic,in-vitro HEABHN CSCC[C@@H](N)C(=O)N1CCC2(CC1)CO[C@]1(C)CC[C@H](O)C(C)(C)O[C@H]1C2 ZINC000257339714 568815946 /nfs/dbraw/zinc/81/59/46/568815946.db2.gz ZCWUGYPCZIZBAV-NHAYFPRASA-N 0 3 414.612 2.173 40 0 HEABHN CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cn1 ZINC000306141003 568902750 /nfs/dbraw/zinc/90/27/50/568902750.db2.gz VIOAYHMBZPQWRT-SJORKVTESA-N 0 3 421.505 2.060 40 0 HEABHN C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCN1CCCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000253595711 569318337 /nfs/dbraw/zinc/31/83/37/569318337.db2.gz HRJRKHBJKIHOJX-VONVNUAUSA-N 0 3 411.550 2.362 40 0 HEABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000252516700 569388084 /nfs/dbraw/zinc/38/80/84/569388084.db2.gz VZNMCNOMUINIOL-SFHLNBCPSA-N 0 3 417.483 2.172 40 0 HEABHN Cn1c2ncn(CCN[C@@H](c3ccccc3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000001579530 557273733 /nfs/dbraw/zinc/27/37/33/557273733.db2.gz QQBPMNIYGSXMML-SFHVURJKSA-N 0 3 423.904 2.466 40 0 HEABHN O=C(C[NH+]1CCCCCC1)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1 ZINC000019406380 558885140 /nfs/dbraw/zinc/88/51/40/558885140.db2.gz XJYLTXBTIYOZQU-UHFFFAOYSA-N 0 3 401.536 2.475 40 0 HEABHN CC(C)N1CCc2c(=O)[nH]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1 ZINC000019448427 558887297 /nfs/dbraw/zinc/88/72/97/558887297.db2.gz ZATVJMHFWNYZKA-GOSISDBHSA-N 0 3 420.510 2.201 40 0 HEABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448317 558887448 /nfs/dbraw/zinc/88/74/48/558887448.db2.gz RGXDEQVYBUPWCS-SFHVURJKSA-N 0 3 420.510 2.201 40 0 HEABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448317 558887450 /nfs/dbraw/zinc/88/74/50/558887450.db2.gz RGXDEQVYBUPWCS-SFHVURJKSA-N 0 3 420.510 2.201 40 0 HEABHN COCc1ccc(OC)c(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)c1 ZINC000019594353 558945389 /nfs/dbraw/zinc/94/53/89/558945389.db2.gz TVFFWCCRRHWGKZ-QGZVFWFLSA-N 0 3 409.494 2.197 40 0 HEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000019707164 558969524 /nfs/dbraw/zinc/96/95/24/558969524.db2.gz LSWVIUSWIMRSFJ-UHFFFAOYSA-N 0 3 409.534 2.464 40 0 HEABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394861 558973791 /nfs/dbraw/zinc/97/37/91/558973791.db2.gz NHLBVQOKHNKKMB-VXKWHMMOSA-N 0 3 421.541 2.475 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](CN4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104837 559027352 /nfs/dbraw/zinc/02/73/52/559027352.db2.gz UCSCGMGEPVRNBP-PZJWPPBQSA-N 0 3 402.535 2.228 40 0 HEABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096052894 559092646 /nfs/dbraw/zinc/09/26/46/559092646.db2.gz XMZUNEGOUXJPCK-SFHVURJKSA-N 0 3 421.545 2.206 40 0 HEABHN CN1CCN(C[C@H]2CO[C@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075627 559094524 /nfs/dbraw/zinc/09/45/24/559094524.db2.gz UWNXBPIFUKVYHA-CYFREDJKSA-N 0 3 408.546 2.494 40 0 HEABHN CCOCCOc1ccc(CNC[C@@]2(O)CCCN(c3cc(NC)ncn3)C2)cc1 ZINC000585270037 559116164 /nfs/dbraw/zinc/11/61/64/559116164.db2.gz CJAZMLCTIBGXSW-QFIPXVFZSA-N 0 3 415.538 2.055 40 0 HEABHN COc1ccc(OC[C@@H](O)CN(C)Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000585271726 559117663 /nfs/dbraw/zinc/11/76/63/559117663.db2.gz GWCVDQKYROFAOP-NRFANRHFSA-N 0 3 400.519 2.399 40 0 HEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281991 559119720 /nfs/dbraw/zinc/11/97/20/559119720.db2.gz DVUNPODYFXIOAS-OAQYLSRUSA-N 0 3 412.477 2.198 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccc(F)cc2)[C@@H](O)C1 ZINC000585284968 559121403 /nfs/dbraw/zinc/12/14/03/559121403.db2.gz MKZXUAUYKPWRAN-FPOVZHCZSA-N 0 3 406.885 2.136 40 0 HEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585287584 559123181 /nfs/dbraw/zinc/12/31/81/559123181.db2.gz PCYGHAOWODELOC-NRFANRHFSA-N 0 3 412.477 2.198 40 0 HEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Br)cc1 ZINC000242687752 568455628 /nfs/dbraw/zinc/45/56/28/568455628.db2.gz UUVZOKGAQXAXDM-XJKCOSOUSA-N 0 3 419.341 2.182 40 0 HEABHN CN(C)CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224434292 568581197 /nfs/dbraw/zinc/58/11/97/568581197.db2.gz RYAJFGKBECEPFL-UHFFFAOYSA-N 0 3 409.939 2.452 40 0 HEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cncc(C)c3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257297197 568803519 /nfs/dbraw/zinc/80/35/19/568803519.db2.gz RGGVLVTVBAKXME-CZYKHXBRSA-N 0 3 411.502 2.174 40 0 HEABHN Cc1ccc(CN2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306125449 568888279 /nfs/dbraw/zinc/88/82/79/568888279.db2.gz CRFJFHMVYDEZMU-IEBWSBKVSA-N 0 3 408.527 2.361 40 0 HEABHN Cn1cncc1CNc1ncc2c(n1)[C@]1(CCN(Cc3cccc(O)c3)C1)COC2 ZINC000306136504 568898407 /nfs/dbraw/zinc/89/84/07/568898407.db2.gz PVINOZVNJXGORA-QFIPXVFZSA-N 0 3 406.490 2.202 40 0 HEABHN CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccc(F)cc3)CC1)COC2 ZINC000306137088 568899022 /nfs/dbraw/zinc/89/90/22/568899022.db2.gz QLHQAWNBXLZYAV-UHFFFAOYSA-N 0 3 401.486 2.370 40 0 HEABHN Cc1cccc(CN2CC[C@@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306140489 568902383 /nfs/dbraw/zinc/90/23/83/568902383.db2.gz UUVNDVYLHYWSQU-XMMPIXPASA-N 0 3 424.545 2.469 40 0 HEABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@@H]3C2)cn1 ZINC000306141002 568902703 /nfs/dbraw/zinc/90/27/03/568902703.db2.gz VIOAYHMBZPQWRT-IRXDYDNUSA-N 0 3 421.505 2.060 40 0 HEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193326 568927948 /nfs/dbraw/zinc/92/79/48/568927948.db2.gz UUVZOKGAQXAXDM-DVOMOZLQSA-N 0 3 419.341 2.182 40 0 HEABHN CCOc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000010111622 569342862 /nfs/dbraw/zinc/34/28/62/569342862.db2.gz VBLJOVAGVKVFCK-UHFFFAOYSA-N 0 3 423.510 2.098 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O ZINC000019699805 569347058 /nfs/dbraw/zinc/34/70/58/569347058.db2.gz VTGJTPFIJMZAPZ-SFHVURJKSA-N 0 3 404.555 2.354 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O ZINC000019699804 569347085 /nfs/dbraw/zinc/34/70/85/569347085.db2.gz VTGJTPFIJMZAPZ-GOSISDBHSA-N 0 3 404.555 2.354 40 0 HEABHN COc1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCCO5)cnc3CO2)cn1 ZINC000096296443 291208526 /nfs/dbraw/zinc/20/85/26/291208526.db2.gz FIYLPUBWLJQKHS-KRWDZBQOSA-N 0 3 408.458 2.414 40 0 biogenic,in-vitro HEABHN O=C(NC1CCCCC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299807 291211857 /nfs/dbraw/zinc/21/18/57/291211857.db2.gz RWEKICNBCQQMDO-UHOSZYNNSA-N 0 3 401.555 2.199 40 0 biogenic,in-vitro HEABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298416 291212573 /nfs/dbraw/zinc/21/25/73/291212573.db2.gz JUCXYDQCHCXUKP-XHSDSOJGSA-N 0 3 416.551 2.235 40 0 biogenic,in-vitro HEABHN C[C@H](CN1CCCCC1)NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750738 558270677 /nfs/dbraw/zinc/27/06/77/558270677.db2.gz BXOOCKGJIPPUHC-MRXNPFEDSA-N 0 3 414.481 2.230 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000020495060 558380215 /nfs/dbraw/zinc/38/02/15/558380215.db2.gz CIRHWBXOOKCECU-IRXDYDNUSA-N 0 3 423.579 2.468 40 0 HEABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4)CC3)ccc21 ZINC000019572488 558930685 /nfs/dbraw/zinc/93/06/85/558930685.db2.gz UISUGWFTWGWSLE-JOCHJYFZSA-N 0 3 415.559 2.254 40 0 HEABHN CN(C)CC(=O)N1CCc2nc([C@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581795 558937118 /nfs/dbraw/zinc/93/71/18/558937118.db2.gz KUACYYWDXIITFM-QGZVFWFLSA-N 0 3 401.536 2.027 40 0 HEABHN CNc1nc([C@H]2CCCN2)nc2c1CCN(Cc1cc3c(cc1OC)OCCO3)C2 ZINC000019707271 558969489 /nfs/dbraw/zinc/96/94/89/558969489.db2.gz LWLDSSKXRFRFEB-MRXNPFEDSA-N 0 3 411.506 2.281 40 0 HEABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4c[nH]nc4C(C)(C)C)C[C@H]32)c(OC)n1 ZINC000072392640 558972489 /nfs/dbraw/zinc/97/24/89/558972489.db2.gz YKTAUYLGHYNCSW-CQURBHOASA-N 0 3 401.511 2.244 40 0 HEABHN Cc1c(C)c(N)c(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394678 558973603 /nfs/dbraw/zinc/97/36/03/558973603.db2.gz OXXQRBSRNQHAEN-HNNXBMFYSA-N 0 3 417.941 2.448 40 0 HEABHN Cc1c(C)c(N)c(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394678 558973605 /nfs/dbraw/zinc/97/36/05/558973605.db2.gz OXXQRBSRNQHAEN-HNNXBMFYSA-N 0 3 417.941 2.448 40 0 HEABHN Cc1c(C)c(N)c(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394679 558973613 /nfs/dbraw/zinc/97/36/13/558973613.db2.gz OXXQRBSRNQHAEN-OAHLLOKOSA-N 0 3 417.941 2.448 40 0 HEABHN Cc1c(C)c(N)c(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1Cl ZINC000072394679 558973615 /nfs/dbraw/zinc/97/36/15/558973615.db2.gz OXXQRBSRNQHAEN-OAHLLOKOSA-N 0 3 417.941 2.448 40 0 HEABHN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc(OC)c1O ZINC000073330535 558986311 /nfs/dbraw/zinc/98/63/11/558986311.db2.gz PLYMCEKNTUNNOM-BJWLPLICSA-N 0 3 403.431 2.207 40 0 HEABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)s1 ZINC000585103684 559025807 /nfs/dbraw/zinc/02/58/07/559025807.db2.gz IDPGHYBOEUDZNS-FHLIZLRMSA-N 0 3 407.580 2.474 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@H](CN4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104836 559027329 /nfs/dbraw/zinc/02/73/29/559027329.db2.gz UCSCGMGEPVRNBP-FPOVZHCZSA-N 0 3 402.535 2.228 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104906 559027483 /nfs/dbraw/zinc/02/74/83/559027483.db2.gz WRJMJZWEJXRENH-CEMLEFRQSA-N 0 3 416.562 2.474 40 0 HEABHN CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccncc1)CC2 ZINC000096143629 559096056 /nfs/dbraw/zinc/09/60/56/559096056.db2.gz HQXIJEOGVDTPRU-LEWJYISDSA-N 0 3 419.529 2.062 40 0 HEABHN COCCN1CC[C@@H](c2nnc3ccc(C(=O)NCc4cccc(OC)c4)cn32)C1 ZINC000096267479 559108226 /nfs/dbraw/zinc/10/82/26/559108226.db2.gz YPEKJGILYBMGDH-QGZVFWFLSA-N 0 3 409.490 2.104 40 0 HEABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCO)c(OC)c1 ZINC000585269597 559115197 /nfs/dbraw/zinc/11/51/97/559115197.db2.gz AKLYZSDYZRHMOK-GOSISDBHSA-N 0 3 405.491 2.337 40 0 HEABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1 ZINC000113936203 559182247 /nfs/dbraw/zinc/18/22/47/559182247.db2.gz QMKKAUFLCXJERC-UHFFFAOYSA-N 0 3 417.531 2.344 40 0 HEABHN Cn1cccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 ZINC000257200332 559282188 /nfs/dbraw/zinc/28/21/88/559282188.db2.gz ACWWXNCCEFVVGH-RSEQLOHWSA-N 0 3 424.589 2.244 40 0 HEABHN COCCOc1cc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210629 559282527 /nfs/dbraw/zinc/28/25/27/559282527.db2.gz BVNABARWBSWBMJ-HXUWFJFHSA-N 0 3 414.493 2.388 40 0 HEABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccccn3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257318583 559282965 /nfs/dbraw/zinc/28/29/65/559282965.db2.gz VOORILHFOZAILM-LSQMVHIFSA-N 0 3 422.573 2.300 40 0 HEABHN CN(Cc1ccc(OCCn2cccn2)cc1)C[C@]1(O)CCN(c2ccccn2)C1 ZINC000257326300 559283234 /nfs/dbraw/zinc/28/32/34/559283234.db2.gz WWRMRAHETUJIMJ-HSZRJFAPSA-N 0 3 407.518 2.430 40 0 HEABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCOC)cc2c1 ZINC000004133442 560600552 /nfs/dbraw/zinc/60/05/52/560600552.db2.gz DTNKZBXBOBGHQS-UHFFFAOYSA-N 0 3 404.580 2.365 40 0 HEABHN CN1CCC(C(=O)N[C@@H]2CC[C@@]3(CO)C[C@H](c4ccccc4)C[C@](C)(O3)[C@H]2O)CC1 ZINC000257230658 568785214 /nfs/dbraw/zinc/78/52/14/568785214.db2.gz GDHUZZANBCPSEU-LBQHQWNISA-N 0 3 416.562 2.052 40 0 HEABHN CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000257272757 568796393 /nfs/dbraw/zinc/79/63/93/568796393.db2.gz NDSWKOWNNGAHIH-HSZRJFAPSA-N 0 3 409.534 2.176 40 0 HEABHN CN(CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O)C1CCCC1 ZINC000257292856 568802434 /nfs/dbraw/zinc/80/24/34/568802434.db2.gz QNFKNCFHEBAKFR-IRLDBZIGSA-N 0 3 413.562 2.434 40 0 HEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000019760636 568871212 /nfs/dbraw/zinc/87/12/12/568871212.db2.gz NRXNDXCCFUUUKH-MRXNPFEDSA-N 0 3 409.943 2.441 40 0 HEABHN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@@]2(CCCC[C@@H]2N2CCCC2)C1 ZINC000306128459 568891479 /nfs/dbraw/zinc/89/14/79/568891479.db2.gz HAVWAOMBYRDTNU-YJBOKZPZSA-N 0 3 416.975 2.180 40 0 HEABHN COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134115 568896109 /nfs/dbraw/zinc/89/61/09/568896109.db2.gz NDVMTIMHTZSRTC-CVEARBPZSA-N 0 3 422.464 2.377 40 0 HEABHN COc1ncccc1CN1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306134894 568896755 /nfs/dbraw/zinc/89/67/55/568896755.db2.gz OAXNZVPTDXQVMK-IAGOWNOFSA-N 0 3 404.474 2.238 40 0 HEABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306134893 568896839 /nfs/dbraw/zinc/89/68/39/568896839.db2.gz OAXNZVPTDXQVMK-DLBZAZTESA-N 0 3 404.474 2.238 40 0 HEABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccco3)CC1)CCN(c1ncccn1)C2 ZINC000306137010 568898966 /nfs/dbraw/zinc/89/89/66/568898966.db2.gz QIVYCPDWZLLREY-UHFFFAOYSA-N 0 3 418.501 2.028 40 0 HEABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306138373 568900478 /nfs/dbraw/zinc/90/04/78/568900478.db2.gz RWBDCQSKOVOPAW-HOTGVXAUSA-N 0 3 409.469 2.190 40 0 HEABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306140059 568901844 /nfs/dbraw/zinc/90/18/44/568901844.db2.gz UIKILPKMVZSSCI-UHFFFAOYSA-N 0 3 411.506 2.374 40 0 HEABHN Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4cccnc4)CC3)O2)cc1 ZINC000306142508 568904020 /nfs/dbraw/zinc/90/40/20/568904020.db2.gz XBDDGWADJYUSQO-QFIPXVFZSA-N 0 3 408.546 2.372 40 0 HEABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107285 568925784 /nfs/dbraw/zinc/92/57/84/568925784.db2.gz ISKDFYVKIGXWFK-DYXWJJEUSA-N 0 3 403.500 2.452 40 0 HEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242522427 568963513 /nfs/dbraw/zinc/96/35/13/568963513.db2.gz ISKDFYVKIGXWFK-QKNQBKEWSA-N 0 3 403.500 2.452 40 0 HEABHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000224314243 569057120 /nfs/dbraw/zinc/05/71/20/569057120.db2.gz ZWYBLMYZTRLOME-UHFFFAOYSA-N 0 3 416.334 2.360 40 0 HEABHN C[C@@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699467 569346963 /nfs/dbraw/zinc/34/69/63/569346963.db2.gz GKJXCGGXJQJDDX-YLJYHZDGSA-N 0 3 424.545 2.220 40 0 HEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C)c2)n1 ZINC000019760855 569429645 /nfs/dbraw/zinc/42/96/45/569429645.db2.gz RMOZFJNTKHMJLN-KRWDZBQOSA-N 0 3 419.551 2.105 40 0 HEABHN CC(=O)N1CCc2cc(NC(=O)[C@@H](C)CN3CCN(c4ccccn4)CC3)ccc21 ZINC000019456195 132467410 /nfs/dbraw/zinc/46/74/10/132467410.db2.gz APPXXEHYAJEHDA-KRWDZBQOSA-N 0 3 407.518 2.387 40 0 HEABHN CCOc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111543 557855339 /nfs/dbraw/zinc/85/53/39/557855339.db2.gz WRPYCTFOCGHCQO-UHFFFAOYSA-N 0 3 419.547 2.267 40 0 HEABHN CC(C)N1CCCc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719576 558257957 /nfs/dbraw/zinc/25/79/57/558257957.db2.gz RMPIELIJKVAAPZ-IBGZPJMESA-N 0 3 402.564 2.488 40 0 HEABHN CN(C)C(=O)CN1CCCC[C@@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746317 558266336 /nfs/dbraw/zinc/26/63/36/558266336.db2.gz MIPOHJUQZNPDQC-LJQANCHMSA-N 0 3 415.563 2.486 40 0 HEABHN C[C@H](CNC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O)N1CCCCC1 ZINC000019750177 558270249 /nfs/dbraw/zinc/27/02/49/558270249.db2.gz DICHTVJALDALQJ-MRXNPFEDSA-N 0 3 414.481 2.230 40 0 HEABHN CCOc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013649087 558557854 /nfs/dbraw/zinc/55/78/54/558557854.db2.gz IWMPWMBMLZGFEP-UHFFFAOYSA-N 0 3 419.547 2.267 40 0 HEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(C)ccc2C)cc1 ZINC000013672212 558562949 /nfs/dbraw/zinc/56/29/49/558562949.db2.gz BANMGDOWRPPMAG-UHFFFAOYSA-N 0 3 403.548 2.485 40 0 HEABHN Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccncc1)CC1(CCN(C)CC1)O2 ZINC000019218619 558851154 /nfs/dbraw/zinc/85/11/54/558851154.db2.gz KYVDLAUCANZGEC-UHFFFAOYSA-N 0 3 408.502 2.005 40 0 HEABHN O=S(=O)(c1ccccc1F)N1C[C@H]2CCCN2C[C@@H]1Cn1nnc2ccccc21 ZINC000019376718 558882748 /nfs/dbraw/zinc/88/27/48/558882748.db2.gz JEFGUQIDXKWKJY-HZPDHXFCSA-N 0 3 415.494 2.108 40 0 HEABHN NC(=O)[C@@H]1CCCN(Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019404235 558884451 /nfs/dbraw/zinc/88/44/51/558884451.db2.gz FLGIFGGADWBSHC-QGZVFWFLSA-N 0 3 424.549 2.161 40 0 HEABHN Cc1cc(-c2cc(=O)n(CC(=O)N3CCCN(C)CC3)nc2-c2cccs2)on1 ZINC000072337282 558937654 /nfs/dbraw/zinc/93/76/54/558937654.db2.gz LTAIRCPFGMNBBV-UHFFFAOYSA-N 0 3 413.503 2.099 40 0 HEABHN O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCCO2 ZINC000072394969 558973735 /nfs/dbraw/zinc/97/37/35/558973735.db2.gz FPDBNVBGLJFXDQ-QRQCMCJISA-N 0 3 423.513 2.450 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107436 559027999 /nfs/dbraw/zinc/02/79/99/559027999.db2.gz VVKCEXDPUMMWAE-GCJKJVERSA-N 0 3 413.543 2.147 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106628 559028952 /nfs/dbraw/zinc/02/89/52/559028952.db2.gz CZFKQQCFUBGHDH-WIOPSUGQSA-N 0 3 421.541 2.014 40 0 HEABHN COC(=O)[C@@]1(C)C[C@H](N(C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113249 559031196 /nfs/dbraw/zinc/03/11/96/559031196.db2.gz TWLBDFAUOIGKCB-WZONZLPQSA-N 0 3 411.502 2.054 40 0 HEABHN COc1cccc(CN2Cc3ccccc3[C@@]23CO[C@H](C(=O)NCCN(C)C)C3)c1 ZINC000096143937 559096225 /nfs/dbraw/zinc/09/62/25/559096225.db2.gz JCOMOFLPPAQMMC-LADGPHEKSA-N 0 3 409.530 2.373 40 0 HEABHN CC[C@H](CO)NC(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155709 559099855 /nfs/dbraw/zinc/09/98/55/559099855.db2.gz CLIOLBKQSIDCFJ-GOSISDBHSA-N 0 3 408.506 2.005 40 0 HEABHN CC[C@@H](CO)NC(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155708 559099883 /nfs/dbraw/zinc/09/98/83/559099883.db2.gz CLIOLBKQSIDCFJ-SFHVURJKSA-N 0 3 408.506 2.005 40 0 HEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271283 559116603 /nfs/dbraw/zinc/11/66/03/559116603.db2.gz VYZJQGNCCQPKAD-QHCPKHFHSA-N 0 3 422.533 2.100 40 0 HEABHN CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585281799 559119551 /nfs/dbraw/zinc/11/95/51/559119551.db2.gz AURULTCFCDDOEF-GOTSBHOMSA-N 0 3 418.509 2.143 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@](O)(CN2CCC(C(F)(F)F)CC2)[C@@H](O)C1 ZINC000585286184 559121831 /nfs/dbraw/zinc/12/18/31/559121831.db2.gz WUKLYVJQALPMOE-ICSRJNTNSA-N 0 3 414.468 2.218 40 0 HEABHN COCCOc1cc(CN(C)C[C@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257295498 559285775 /nfs/dbraw/zinc/28/57/75/559285775.db2.gz QYOPSYJBOYNZMQ-JOCHJYFZSA-N 0 3 401.507 2.189 40 0 HEABHN CC(=O)N1CCC(N2C[C@@H]3[C@H](C2)Oc2ccc(C(F)(F)F)cc2C(=O)N3C)CC1 ZINC000514288674 560034547 /nfs/dbraw/zinc/03/45/47/560034547.db2.gz QHNGQBIEILBCJR-AEFFLSMTSA-N 0 3 411.424 2.234 40 0 biogenic,in-vitro HEABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299734 560108215 /nfs/dbraw/zinc/10/82/15/560108215.db2.gz NLBYNTMTPJRQBU-ZCNNSNEGSA-N 0 3 409.534 2.067 40 0 biogenic,in-vitro HEABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccc4c(c3)OCO4)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382334 568489515 /nfs/dbraw/zinc/48/95/15/568489515.db2.gz OKSDWBXRKAOEBB-NCXUSEDFSA-N 0 3 413.518 2.193 40 0 biogenic,in-vitro HEABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000257208057 568778520 /nfs/dbraw/zinc/77/85/20/568778520.db2.gz BKMVSPWZEUOBQL-QHCPKHFHSA-N 0 3 414.550 2.453 40 0 HEABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257229547 568784788 /nfs/dbraw/zinc/78/47/88/568784788.db2.gz FYMITIGTWRCCMA-QHCPKHFHSA-N 0 3 409.534 2.094 40 0 HEABHN O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000257236642 568786724 /nfs/dbraw/zinc/78/67/24/568786724.db2.gz HDAYSHJHOBIQIR-QHCPKHFHSA-N 0 3 409.534 2.224 40 0 HEABHN O=C(CCCNc1ncccn1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257297625 568803811 /nfs/dbraw/zinc/80/38/11/568803811.db2.gz RIECRMCLKGCMDK-IBGZPJMESA-N 0 3 411.497 2.143 40 0 HEABHN Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257324497 568811680 /nfs/dbraw/zinc/81/16/80/568811680.db2.gz WOXVWHIAAAEVMA-DEOSSOPVSA-N 0 3 423.561 2.484 40 0 HEABHN CN(C)c1cc(CN(C)S(=O)(=O)CCCc2ccccc2)nc([C@@H]2CCCN2)n1 ZINC000019760129 568870568 /nfs/dbraw/zinc/87/05/68/568870568.db2.gz CXHNGVZUZCZJNN-IBGZPJMESA-N 0 3 417.579 2.362 40 0 HEABHN CNCc1cc(NC)nc([C@@H]2CCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)n1 ZINC000019760611 568871107 /nfs/dbraw/zinc/87/11/07/568871107.db2.gz QFXVNNWXIUQIDS-INIZCTEOSA-N 0 3 419.551 2.389 40 0 HEABHN Cc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccccc5)c(=O)c(=O)n4C3)C2)s1 ZINC000306128588 568891358 /nfs/dbraw/zinc/89/13/58/568891358.db2.gz HFPZJKNXNRECBV-QFIPXVFZSA-N 0 3 408.527 2.272 40 0 HEABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccc3c(c1)OCO3)C[C@@H]2c1cccnc1 ZINC000306130080 568892574 /nfs/dbraw/zinc/89/25/74/568892574.db2.gz IVVUCJFNOPQVCL-YKSBVNFPSA-N 0 3 421.497 2.417 40 0 HEABHN CCn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccc(OC)cc4)C[C@@H]3C2)cn1 ZINC000306141001 568902796 /nfs/dbraw/zinc/90/27/96/568902796.db2.gz VIOAYHMBZPQWRT-IAGOWNOFSA-N 0 3 421.505 2.060 40 0 HEABHN COc1ncccc1CN1C[C@@H](c2ccnn2C)[C@]2(C1)CCCN(CC1CC1)C2=O ZINC000306141303 568902956 /nfs/dbraw/zinc/90/29/56/568902956.db2.gz VRDXBTZDIDCGSQ-WMZHIEFXSA-N 0 3 409.534 2.442 40 0 HEABHN CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699393 569346986 /nfs/dbraw/zinc/34/69/86/569346986.db2.gz RPVNQTLOXDWJGS-LJQANCHMSA-N 0 3 412.534 2.364 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(C)s3)C1)C2=O ZINC000019699797 569347028 /nfs/dbraw/zinc/34/70/28/569347028.db2.gz RFFBJERQXQELTI-HNNXBMFYSA-N 0 3 404.536 2.067 40 0 HEABHN COc1ccccc1CNC(=O)c1cc([C@@H]2CCN(Cc3cn(C)nc3C)C2)n[nH]1 ZINC000019707683 569347989 /nfs/dbraw/zinc/34/79/89/569347989.db2.gz AUIGPGQQVACMCF-QGZVFWFLSA-N 0 3 408.506 2.380 40 0 HEABHN CN(C)CCNc1nc(C(F)(F)F)cc(=NNc2ccc(N[SH](=O)=O)cc2)[nH]1 ZINC000329048416 571304654 /nfs/dbraw/zinc/30/46/54/571304654.db2.gz UKBDYXDEBGQRBG-UHFFFAOYSA-N 0 3 419.433 2.677 40 0 HEABHN CC(=O)N1CCC(NC2(Cc3cc(CN(C)Cc4ccccc4)on3)COC2)CC1 ZINC000067898092 291202675 /nfs/dbraw/zinc/20/26/75/291202675.db2.gz DXTXISARVACZQX-UHFFFAOYSA-N 0 3 412.534 2.219 40 0 biogenic,in-vitro HEABHN CCOc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(F)cc2)cc1 ZINC000013673556 558563349 /nfs/dbraw/zinc/56/33/49/558563349.db2.gz GLNBTONXJUQDRW-UHFFFAOYSA-N 0 3 423.510 2.098 40 0 HEABHN COc1ccc2c(c1)c(CN1CCC(N3C[C@H](C)O[C@@H](C)C3)CC1)cn2CC(N)=O ZINC000036741488 558802280 /nfs/dbraw/zinc/80/22/80/558802280.db2.gz FBQLRYYVPBUBAT-IRXDYDNUSA-N 0 3 414.550 2.209 40 0 HEABHN Cc1cc2nc([C@H]3CCCN(Cc4ccc5c(c4)n(C)c(=O)n5C)C3)cc(N)n2n1 ZINC000019129294 558845243 /nfs/dbraw/zinc/84/52/43/558845243.db2.gz VBERPDPEQVIPLC-INIZCTEOSA-N 0 3 405.506 2.190 40 0 HEABHN COCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C(=O)N2 ZINC000072334406 558935677 /nfs/dbraw/zinc/93/56/77/558935677.db2.gz MFSUDRVPKCCBLO-WIOPSUGQSA-N 0 3 421.541 2.386 40 0 HEABHN CC(C)(CN1CCCCC1)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000019659947 558951288 /nfs/dbraw/zinc/95/12/88/558951288.db2.gz JSHVDAAASIVJDR-MRXNPFEDSA-N 0 3 401.507 2.191 40 0 HEABHN CC(C)Oc1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cn1ccnc1 ZINC000019715779 558977003 /nfs/dbraw/zinc/97/70/03/558977003.db2.gz VUTBNNXYLYZOOX-UHFFFAOYSA-N 0 3 411.506 2.235 40 0 HEABHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N2CCCC2)Cn2ccnc23)cc1 ZINC000096036829 559090652 /nfs/dbraw/zinc/09/06/52/559090652.db2.gz QVSHZDCLVMGGHQ-HXUWFJFHSA-N 0 3 410.518 2.404 40 0 HEABHN CN1CC[C@@]2(C(=O)Nc3cccnc3)CCN(S(=O)(=O)c3ccccc3)CC[C@@H]12 ZINC000096145291 559097234 /nfs/dbraw/zinc/09/72/34/559097234.db2.gz FMGDSJRVGMTVJD-TZIWHRDSSA-N 0 3 414.531 2.195 40 0 HEABHN COCCN(C)C(=O)c1ncn2c1nccc2C1CCN(Cc2ccncc2)CC1 ZINC000096155738 559099896 /nfs/dbraw/zinc/09/98/96/559099896.db2.gz XASWMGQTAVCIMZ-UHFFFAOYSA-N 0 3 408.506 2.222 40 0 HEABHN CCOCCOc1ccc(CNC[C@]2(O)CCCN(c3cc(NC)ncn3)C2)cc1 ZINC000585270035 559116090 /nfs/dbraw/zinc/11/60/90/559116090.db2.gz CJAZMLCTIBGXSW-JOCHJYFZSA-N 0 3 415.538 2.055 40 0 HEABHN COc1ccc(OC[C@H](O)CN(C)Cc2cccc(CN3CCOCC3)c2)cc1 ZINC000585271730 559117699 /nfs/dbraw/zinc/11/76/99/559117699.db2.gz GWCVDQKYROFAOP-OAQYLSRUSA-N 0 3 400.519 2.399 40 0 HEABHN CN(C)CCOc1ccc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585271842 559117914 /nfs/dbraw/zinc/11/79/14/559117914.db2.gz KQZAEVXWXNAKMT-HSZRJFAPSA-N 0 3 418.509 2.408 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2cccc(Cl)c2)[C@@H](O)C1 ZINC000585285028 559121464 /nfs/dbraw/zinc/12/14/64/559121464.db2.gz NFXHJZQARANCJX-UNMCSNQZSA-N 0 3 402.922 2.387 40 0 HEABHN CC(C)CNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160478 560601387 /nfs/dbraw/zinc/60/13/87/560601387.db2.gz YTBOPFYVOUWAAY-UHFFFAOYSA-N 0 3 404.536 2.151 40 0 HEABHN CCOc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1cccs1 ZINC000007523777 560751491 /nfs/dbraw/zinc/75/14/91/560751491.db2.gz WJAILHHUXXDHHL-UHFFFAOYSA-N 0 3 417.491 2.211 40 0 HEABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225086590 568613177 /nfs/dbraw/zinc/61/31/77/568613177.db2.gz HFEPVXAJTUEBOJ-MRXNPFEDSA-N 0 3 407.536 2.273 40 0 HEABHN CS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2Cc1ccc(Cl)cc1 ZINC000257304832 568805950 /nfs/dbraw/zinc/80/59/50/568805950.db2.gz SNIWJKNBNCJNAB-FUHWJXTLSA-N 0 3 413.971 2.092 40 0 HEABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000257322841 568811307 /nfs/dbraw/zinc/81/13/07/568811307.db2.gz WHPUODMNTKOGNH-HSZRJFAPSA-N 0 3 412.534 2.396 40 0 HEABHN CCCNC(=O)c1nnc2n1CC1(CCN(Cc3ccc(OC)cc3)CC1)COC2 ZINC000306127131 568890102 /nfs/dbraw/zinc/89/01/02/568890102.db2.gz FPFCJFVRXFPVCO-UHFFFAOYSA-N 0 3 413.522 2.239 40 0 HEABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccc3c(c1)OCO3)C[C@H]2c1cccnc1 ZINC000306130077 568892564 /nfs/dbraw/zinc/89/25/64/568892564.db2.gz IVVUCJFNOPQVCL-GBXCKJPGSA-N 0 3 421.497 2.417 40 0 HEABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@H]2C1 ZINC000306134118 568896026 /nfs/dbraw/zinc/89/60/26/568896026.db2.gz NDVMTIMHTZSRTC-JKSUJKDBSA-N 0 3 422.464 2.377 40 0 HEABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306134895 568896807 /nfs/dbraw/zinc/89/68/07/568896807.db2.gz OAXNZVPTDXQVMK-IRXDYDNUSA-N 0 3 404.474 2.238 40 0 HEABHN CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(C)n3)CC1)COC2 ZINC000306139219 568901194 /nfs/dbraw/zinc/90/11/94/568901194.db2.gz SSILMBNLNWNLPM-MRXNPFEDSA-N 0 3 412.538 2.322 40 0 HEABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425593 569026916 /nfs/dbraw/zinc/02/69/16/569026916.db2.gz TYYBGEYNCHYUPP-INIZCTEOSA-N 0 3 423.000 2.250 40 0 HEABHN CCN(CC)CC(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1 ZINC000019696945 569346787 /nfs/dbraw/zinc/34/67/87/569346787.db2.gz WDSMEDRYKIBUDP-UHFFFAOYSA-N 0 3 413.522 2.232 40 0 HEABHN O=C(C1CC1)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699300 569346990 /nfs/dbraw/zinc/34/69/90/569346990.db2.gz OLUQIBONUNJTHZ-UHFFFAOYSA-N 0 3 424.545 2.017 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O ZINC000019699913 569347100 /nfs/dbraw/zinc/34/71/00/569347100.db2.gz GGWOQYZYCLOOSP-IBGZPJMESA-N 0 3 412.534 2.017 40 0 HEABHN O=C(C1CC1)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699969 569347119 /nfs/dbraw/zinc/34/71/19/569347119.db2.gz FZYMFGZSHVVHBM-FQEVSTJZSA-N 0 3 424.545 2.017 40 0 HEABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCN(C)CC3)CC2)cs1 ZINC000225423095 291206626 /nfs/dbraw/zinc/20/66/26/291206626.db2.gz GELBFIRKHSLSMG-GOSISDBHSA-N 0 3 408.612 2.132 40 0 biogenic,in-vitro HEABHN O=C(NCc1cccnc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008254138 291212140 /nfs/dbraw/zinc/21/21/40/291212140.db2.gz MQIHTWHOIWUMTF-DSKINZAPSA-N 0 3 418.501 2.073 40 0 biogenic,in-vitro HEABHN CC1CCN(CCNC(=O)Cn2cc(C(=O)Nc3ccc(F)cc3)ccc2=O)CC1 ZINC000019751519 558271494 /nfs/dbraw/zinc/27/14/94/558271494.db2.gz IQPZEOGUPPMPJI-UHFFFAOYSA-N 0 3 414.481 2.088 40 0 HEABHN CC(C)N1CCc2c(=O)[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1 ZINC000019448425 558887457 /nfs/dbraw/zinc/88/74/57/558887457.db2.gz ZATVJMHFWNYZKA-SFHVURJKSA-N 0 3 420.510 2.201 40 0 HEABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019590246 558940908 /nfs/dbraw/zinc/94/09/08/558940908.db2.gz GSQZYCWWFSZOBN-AWEZNQCLSA-N 0 3 400.454 2.094 40 0 HEABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019590246 558940910 /nfs/dbraw/zinc/94/09/10/558940910.db2.gz GSQZYCWWFSZOBN-AWEZNQCLSA-N 0 3 400.454 2.094 40 0 HEABHN CC(C)(CN1CCCCC1)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000019659945 558951244 /nfs/dbraw/zinc/95/12/44/558951244.db2.gz JSHVDAAASIVJDR-INIZCTEOSA-N 0 3 401.507 2.191 40 0 HEABHN NC(=O)[C@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)C1 ZINC000072373042 558960824 /nfs/dbraw/zinc/96/08/24/558960824.db2.gz HKCULRPHOXOPES-FKBYEOEOSA-N 0 3 419.525 2.341 40 0 HEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699843 558966800 /nfs/dbraw/zinc/96/68/00/558966800.db2.gz IKEXUYGDBBLLMI-SFHVURJKSA-N 0 3 404.555 2.353 40 0 HEABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104577 559027158 /nfs/dbraw/zinc/02/71/58/559027158.db2.gz QNZZBFPVQGNVDE-FGZHOGPDSA-N 0 3 415.578 2.150 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585105142 559027621 /nfs/dbraw/zinc/02/76/21/559027621.db2.gz ZENGROIAWKRIJP-YZGWKJHDSA-N 0 3 422.591 2.258 40 0 HEABHN CCOCCOc1ccc(CN(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)cc1 ZINC000257333248 559283305 /nfs/dbraw/zinc/28/33/05/559283305.db2.gz YAVGPLOIAOSBTE-QFIPXVFZSA-N 0 3 400.523 2.274 40 0 HEABHN CCOCCOc1ccc(CN(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)cc1 ZINC000257333247 559283314 /nfs/dbraw/zinc/28/33/14/559283314.db2.gz YAVGPLOIAOSBTE-JOCHJYFZSA-N 0 3 400.523 2.274 40 0 HEABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000004133415 560600413 /nfs/dbraw/zinc/60/04/13/560600413.db2.gz HMEFVVQJAMTBEX-SFHVURJKSA-N 0 3 402.564 2.254 40 0 HEABHN COCCN1CC2(c3ccccc3)CN(CCOC)CC(c3ccccc3)(C1)C2=O ZINC000020470294 568610816 /nfs/dbraw/zinc/61/08/16/568610816.db2.gz PRSDQECHDQYLMW-UHFFFAOYSA-N 0 3 408.542 2.356 40 0 HEABHN Nc1nc(CCC(=O)N2CCC[C@@](O)(CN3CCc4ccccc4C3)CC2)cs1 ZINC000257225993 568783669 /nfs/dbraw/zinc/78/36/69/568783669.db2.gz FIRUYBLWXBAEIR-QFIPXVFZSA-N 0 3 414.575 2.460 40 0 HEABHN CNCc1cc(NC)nc([C@H]2CCCN2S(=O)(=O)c2cc(C)c(OC)cc2C)n1 ZINC000019760614 568871080 /nfs/dbraw/zinc/87/10/80/568871080.db2.gz QFXVNNWXIUQIDS-MRXNPFEDSA-N 0 3 419.551 2.389 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306130061 568892436 /nfs/dbraw/zinc/89/24/36/568892436.db2.gz IVMIAHAQDVTOES-SJORKVTESA-N 0 3 404.474 2.238 40 0 HEABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306133779 568895824 /nfs/dbraw/zinc/89/58/24/568895824.db2.gz MVYOSLWDCPLGAA-UHFFFAOYSA-N 0 3 411.506 2.375 40 0 HEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193395 568927873 /nfs/dbraw/zinc/92/78/73/568927873.db2.gz UUVZOKGAQXAXDM-XEZPLFJOSA-N 0 3 419.341 2.182 40 0 HEABHN Cc1ccc(CNCCN(Cc2cccc(C)c2)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575421480 569025856 /nfs/dbraw/zinc/02/58/56/569025856.db2.gz QRJVBUXDSINKRT-FGZHOGPDSA-N 0 3 402.560 2.053 40 0 HEABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1C ZINC000575423722 569026386 /nfs/dbraw/zinc/02/63/86/569026386.db2.gz QWEQDYHSZGKWBJ-GOSISDBHSA-N 0 3 416.609 2.213 40 0 HEABHN O=S(=O)(c1ccccc1F)N1C[C@@H]2CCCN2C[C@@H]1Cn1nnc2ccccc21 ZINC000019376717 569345409 /nfs/dbraw/zinc/34/54/09/569345409.db2.gz JEFGUQIDXKWKJY-JKSUJKDBSA-N 0 3 415.494 2.108 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(OC)cc3)CC1)C2=O ZINC000019699487 569346959 /nfs/dbraw/zinc/34/69/59/569346959.db2.gz OJGLQWQTMFWRFT-UHFFFAOYSA-N 0 3 400.523 2.066 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCc3ccccc3)CC1)C2=O ZINC000019699547 569347046 /nfs/dbraw/zinc/34/70/46/569347046.db2.gz UOCUNYOWJOFUPX-UHFFFAOYSA-N 0 3 412.534 2.017 40 0 HEABHN CC(C)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3)CC1)C2=O ZINC000019699524 569347052 /nfs/dbraw/zinc/34/70/52/569347052.db2.gz AKNOPRYFDFMJIJ-UHFFFAOYSA-N 0 3 412.534 2.015 40 0 HEABHN CCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699970 569347109 /nfs/dbraw/zinc/34/71/09/569347109.db2.gz NIOVOFCIRNWEFQ-LJQANCHMSA-N 0 3 412.534 2.017 40 0 HEABHN COc1ccccc1CNC(=O)c1cc([C@H]2CCN(Cc3cn(C)nc3C)C2)n[nH]1 ZINC000019707684 569347955 /nfs/dbraw/zinc/34/79/55/569347955.db2.gz AUIGPGQQVACMCF-KRWDZBQOSA-N 0 3 408.506 2.380 40 0 HEABHN CN(C)C(=O)CN1CCCC[C@H]1C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000019746318 558266243 /nfs/dbraw/zinc/26/62/43/558266243.db2.gz MIPOHJUQZNPDQC-IBGZPJMESA-N 0 3 415.563 2.486 40 0 HEABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000012238248 558359203 /nfs/dbraw/zinc/35/92/03/558359203.db2.gz PPWCQVXYIYFFMP-UHFFFAOYSA-N 0 3 408.502 2.075 40 0 HEABHN COCCn1cc(CN2CCC(O)(Cn3nc(C)ccc3=O)CC2)c2ccccc21 ZINC000019131386 558845479 /nfs/dbraw/zinc/84/54/79/558845479.db2.gz UUNSLYLOBWWNPG-UHFFFAOYSA-N 0 3 410.518 2.180 40 0 HEABHN COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593507 558944665 /nfs/dbraw/zinc/94/46/65/558944665.db2.gz LPGCSEMBNGAGGU-WOJBJXKFSA-N 0 3 409.534 2.055 40 0 HEABHN COc1ccc(CN(Cc2ccnc(N3CCOCC3)n2)C2CCN(C)CC2)cc1 ZINC000019664296 558954898 /nfs/dbraw/zinc/95/48/98/558954898.db2.gz TVOFYFGNBUGTCM-UHFFFAOYSA-N 0 3 411.550 2.418 40 0 HEABHN CCc1cc2c(ncn(CC(=O)Nc3ccnn3C3CCN(C)CC3)c2=O)s1 ZINC000019665640 558955677 /nfs/dbraw/zinc/95/56/77/558955677.db2.gz NNPDUKLQCBWCSK-UHFFFAOYSA-N 0 3 400.508 2.122 40 0 HEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019699845 558966794 /nfs/dbraw/zinc/96/67/94/558966794.db2.gz CXDKSNNPEPWULB-IBGZPJMESA-N 0 3 412.534 2.015 40 0 HEABHN CN1CCC(C(=O)N2CCC[C@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000019707843 558969948 /nfs/dbraw/zinc/96/99/48/558969948.db2.gz ABBZJLHRSJQGHL-INIZCTEOSA-N 0 3 418.542 2.034 40 0 HEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000019710489 558972588 /nfs/dbraw/zinc/97/25/88/558972588.db2.gz GOTGSJJFJVYGRQ-UHFFFAOYSA-N 0 3 401.536 2.075 40 0 HEABHN COc1cc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc(OC)c1O ZINC000073330540 558986337 /nfs/dbraw/zinc/98/63/37/558986337.db2.gz PLYMCEKNTUNNOM-VKFHIQHVSA-N 0 3 403.431 2.207 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585103089 559026427 /nfs/dbraw/zinc/02/64/27/559026427.db2.gz CTHRVBXJVHQOQL-IBGZPJMESA-N 0 3 408.564 2.012 40 0 HEABHN Cc1ccccc1S(=O)(=O)N1CCC2(CO[C@@H](CN3CC[C@@H](C)[C@H](O)C3)C2)CC1 ZINC000585105141 559027670 /nfs/dbraw/zinc/02/76/70/559027670.db2.gz ZENGROIAWKRIJP-MISYRCLQSA-N 0 3 422.591 2.258 40 0 HEABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096143571 559095977 /nfs/dbraw/zinc/09/59/77/559095977.db2.gz MIGYJXVGFJKDFR-LEWJYISDSA-N 0 3 404.514 2.277 40 0 HEABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)C1CCCCC1)CCC2 ZINC000096251331 559105421 /nfs/dbraw/zinc/10/54/21/559105421.db2.gz ULNDDWSYPXCBDV-OFNKIYASSA-N 0 3 415.582 2.129 40 0 HEABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585286819 559122082 /nfs/dbraw/zinc/12/20/82/559122082.db2.gz JDCBYCOKFHZHEC-GMAHTHKFSA-N 0 3 420.550 2.409 40 0 HEABHN Cc1ccc(Cl)cc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000113939758 559182315 /nfs/dbraw/zinc/18/23/15/559182315.db2.gz XZOHAOMJPLUUGE-UHFFFAOYSA-N 0 3 401.960 2.405 40 0 HEABHN COCCOc1cc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OC ZINC000257210628 559282548 /nfs/dbraw/zinc/28/25/48/559282548.db2.gz BVNABARWBSWBMJ-FQEVSTJZSA-N 0 3 414.493 2.388 40 0 HEABHN CN(Cc1ccc(OCCn2cccn2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1 ZINC000257326301 559283143 /nfs/dbraw/zinc/28/31/43/559283143.db2.gz WWRMRAHETUJIMJ-QHCPKHFHSA-N 0 3 407.518 2.430 40 0 HEABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3ccncc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257305572 559286122 /nfs/dbraw/zinc/28/61/22/559286122.db2.gz SQOWZAVYQWGDSM-LSQMVHIFSA-N 0 3 422.573 2.300 40 0 HEABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004133523 560600618 /nfs/dbraw/zinc/60/06/18/560600618.db2.gz VCWIVHPNDHJSKC-UHFFFAOYSA-N 0 3 404.580 2.420 40 0 HEABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004133568 560600648 /nfs/dbraw/zinc/60/06/48/560600648.db2.gz ZISHOOLKFWHPJU-UHFFFAOYSA-N 0 3 404.580 2.420 40 0 HEABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257229546 568784768 /nfs/dbraw/zinc/78/47/68/568784768.db2.gz FYMITIGTWRCCMA-HSZRJFAPSA-N 0 3 409.534 2.094 40 0 HEABHN Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 ZINC000257261775 568793288 /nfs/dbraw/zinc/79/32/88/568793288.db2.gz LITAPFKOPOKTHK-XMMPIXPASA-N 0 3 423.561 2.484 40 0 HEABHN CC(=O)N1CCC[C@@H]1c1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccn21 ZINC000306133006 568895004 /nfs/dbraw/zinc/89/50/04/568895004.db2.gz LYOZVNXBQQRICX-HXUWFJFHSA-N 0 3 418.501 2.375 40 0 HEABHN CC(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccn21 ZINC000306133005 568895041 /nfs/dbraw/zinc/89/50/41/568895041.db2.gz LYOZVNXBQQRICX-FQEVSTJZSA-N 0 3 418.501 2.375 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccncc4)C[C@H]2C3)cc1 ZINC000306139302 568901073 /nfs/dbraw/zinc/90/10/73/568901073.db2.gz SUFDIQOYOOXGHX-IAGOWNOFSA-N 0 3 404.474 2.238 40 0 HEABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NCC(C)C)CN3C)cc1C ZINC000306139249 568901157 /nfs/dbraw/zinc/90/11/57/568901157.db2.gz STGGTCXLCMJEHY-HSZRJFAPSA-N 0 3 410.566 2.371 40 0 HEABHN C[C@@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc(O)cc4)C2)COC3)C[C@@H](C)O1 ZINC000306142212 568903793 /nfs/dbraw/zinc/90/37/93/568903793.db2.gz WTMGLZOOEZPVDL-QZMQVMSPSA-N 0 3 410.518 2.470 40 0 HEABHN Cc1ccc(CNCCN(Cc2cccc(C)c2)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 ZINC000575421477 569025886 /nfs/dbraw/zinc/02/58/86/569025886.db2.gz QRJVBUXDSINKRT-FCHUYYIVSA-N 0 3 402.560 2.053 40 0 HEABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000575421685 569026070 /nfs/dbraw/zinc/02/60/70/569026070.db2.gz LEAFXLMORDCLDD-GOSISDBHSA-N 0 3 416.609 2.213 40 0 HEABHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12c1ccccc1N(C)C2=O ZINC000033896910 569027758 /nfs/dbraw/zinc/02/77/58/569027758.db2.gz FWMURFMWNBJXJT-DEOSSOPVSA-N 0 3 417.465 2.421 40 0 HEABHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000224315667 569057081 /nfs/dbraw/zinc/05/70/81/569057081.db2.gz RCRDRGSRLCYHIB-UHFFFAOYSA-N 0 3 415.441 2.072 40 0 HEABHN CCOc1ccc(CN2CCC(N3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1 ZINC000019699479 569346947 /nfs/dbraw/zinc/34/69/47/569346947.db2.gz IRTHYVALKNPJSF-UHFFFAOYSA-N 0 3 400.523 2.066 40 0 HEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000019709646 569348112 /nfs/dbraw/zinc/34/81/12/569348112.db2.gz BHSMUGATMXUZMV-HNNXBMFYSA-N 0 3 401.486 2.186 40 0 HEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN2CC(=O)N2CCCc3ccccc32)n1 ZINC000019760831 569348914 /nfs/dbraw/zinc/34/89/14/569348914.db2.gz PKKZSGOSHFTXNM-HXUWFJFHSA-N 0 3 408.550 2.378 40 0 HEABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253950 557778293 /nfs/dbraw/zinc/77/82/93/557778293.db2.gz RLUAFRWYEWQXAV-AQNXPRMDSA-N 0 3 402.502 2.367 40 0 biogenic,in-vitro HEABHN COc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4cnc5ccccc5n4)C[C@@H]32)c(OC)n1 ZINC000012407258 558398426 /nfs/dbraw/zinc/39/84/26/558398426.db2.gz IDTBEYSDNLGNJX-UVQUFPMPSA-N 0 3 407.474 2.167 40 0 HEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674725 558399266 /nfs/dbraw/zinc/39/92/66/558399266.db2.gz MXCAJKXVLWKSTG-UXHICEINSA-N 0 3 424.476 2.354 40 0 HEABHN Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCCCN3CCOCC3)cc12 ZINC000036740442 558801557 /nfs/dbraw/zinc/80/15/57/558801557.db2.gz HAGQNVHCEHTTOO-UHFFFAOYSA-N 0 3 415.925 2.488 40 0 HEABHN Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(Cc3cnc[nH]3)CC2)on1 ZINC000019123224 558844023 /nfs/dbraw/zinc/84/40/23/558844023.db2.gz PCYUIUMAFIMSBZ-UHFFFAOYSA-N 0 3 409.494 2.379 40 0 HEABHN CCN1CCC(n2nccc2NC(=O)c2cccc3c2C(=O)N(CCOC)C3)CC1 ZINC000019527062 558908114 /nfs/dbraw/zinc/90/81/14/558908114.db2.gz NUWBAYXGOURODM-UHFFFAOYSA-N 0 3 411.506 2.394 40 0 HEABHN COCCNC(=O)[C@@H]1CN(CC2=CCCCC2)C[C@H]1c1ccnc(N2CCCC2)n1 ZINC000019593505 558944651 /nfs/dbraw/zinc/94/46/51/558944651.db2.gz XVGBGLHUYKHTGY-WOJBJXKFSA-N 0 3 413.566 2.355 40 0 HEABHN CC1CCN(Cc2cccc(NC(=O)CCn3cnc4c(cnn4C)c3=O)c2)CC1 ZINC000019716225 558977887 /nfs/dbraw/zinc/97/78/87/558977887.db2.gz VAYDHBUIBMGLSU-UHFFFAOYSA-N 0 3 408.506 2.391 40 0 HEABHN C[C@@H]1CCN(C[C@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C[C@H]1O ZINC000585105144 559027648 /nfs/dbraw/zinc/02/76/48/559027648.db2.gz ZKPSCDLRICGUNB-DUXKGJEZSA-N 0 3 402.535 2.035 40 0 HEABHN O=C(NCCN1CCCC1)c1nc(-c2cn(Cc3cccnc3)cn2)n2ccccc12 ZINC000096155036 559099334 /nfs/dbraw/zinc/09/93/34/559099334.db2.gz LKOUJEAXBIOFDL-UHFFFAOYSA-N 0 3 415.501 2.467 40 0 HEABHN CC[C@@H](CO)NC(=O)c1ncn2c1nccc2C1CCN(Cc2ccncc2)CC1 ZINC000096155746 559099878 /nfs/dbraw/zinc/09/98/78/559099878.db2.gz BJTGWFKFWHMXMV-SFHVURJKSA-N 0 3 408.506 2.005 40 0 HEABHN CCN(Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585284267 559121011 /nfs/dbraw/zinc/12/10/11/559121011.db2.gz JHJAHISXZIRCQN-FPOVZHCZSA-N 0 3 403.910 2.195 40 0 HEABHN CN(c1ccccc1)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 ZINC000072210864 559168106 /nfs/dbraw/zinc/16/81/06/559168106.db2.gz IFSBPWWFESGLGR-UHFFFAOYSA-N 0 3 411.325 2.079 40 0 HEABHN CCOCCOc1ccc(CN(C)C[C@@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257239737 559284059 /nfs/dbraw/zinc/28/40/59/559284059.db2.gz HQPIYEDOHXAPLF-QFIPXVFZSA-N 0 3 400.523 2.355 40 0 HEABHN COc1ccc(CN2CC3(C2)CN(CCc2ccccc2)C[C@H]2C[C@@H](O)CN23)cc1 ZINC000514289513 560032469 /nfs/dbraw/zinc/03/24/69/560032469.db2.gz MZPKXMPKFSUIOE-DHIUTWEWSA-N 0 3 407.558 2.243 40 0 biogenic,in-vitro HEABHN CN(C)CCNC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O ZINC000010111616 560763830 /nfs/dbraw/zinc/76/38/30/560763830.db2.gz GBQKMMDPJAKNRG-UHFFFAOYSA-N 0 3 402.731 2.091 40 0 HEABHN CN1CCC(Oc2ccc(NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)CC1 ZINC000219022031 568485997 /nfs/dbraw/zinc/48/59/97/568485997.db2.gz MMBPBARACVGFGD-BGYRXZFFSA-N 0 3 411.502 2.439 40 0 HEABHN CCc1n[nH]cc1C(=O)N1CCC[C@](O)(CN(C)Cc2ccc(OC)cc2)CC1 ZINC000257285689 568800142 /nfs/dbraw/zinc/80/01/42/568800142.db2.gz PIHKJGMZWQSOAY-JOCHJYFZSA-N 0 3 400.523 2.470 40 0 HEABHN CCc1n[nH]cc1C(=O)N1CCC[C@@](O)(CN(C)Cc2ccc(OC)cc2)CC1 ZINC000257285690 568800291 /nfs/dbraw/zinc/80/02/91/568800291.db2.gz PIHKJGMZWQSOAY-QFIPXVFZSA-N 0 3 400.523 2.470 40 0 HEABHN CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)c1cccc(CN)c1 ZINC000257297774 568803707 /nfs/dbraw/zinc/80/37/07/568803707.db2.gz RISZRKBNPRUCKC-QHCPKHFHSA-N 0 3 405.502 2.192 40 0 HEABHN Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306127356 568890360 /nfs/dbraw/zinc/89/03/60/568890360.db2.gz FWRSIHHKEGEYJR-MOPGFXCFSA-N 0 3 402.502 2.216 40 0 HEABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131462 568893692 /nfs/dbraw/zinc/89/36/92/568893692.db2.gz KFHHDUKEZGUQSN-SIKLNZKXSA-N 0 3 414.554 2.145 40 0 HEABHN CCCCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)cnn3)CC2)cc1 ZINC000224313888 569057085 /nfs/dbraw/zinc/05/70/85/569057085.db2.gz MFPRABSJBMMGRI-UHFFFAOYSA-N 0 3 419.551 2.232 40 0 HEABHN Cc1cnc(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cn1 ZINC000019238883 569345251 /nfs/dbraw/zinc/34/52/51/569345251.db2.gz XISZDQYKCTYDHA-VQTJNVASSA-N 0 3 409.534 2.214 40 0 HEABHN CCCC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699453 569346997 /nfs/dbraw/zinc/34/69/97/569346997.db2.gz SEJVIJMACXCQDB-UHFFFAOYSA-N 0 3 412.534 2.364 40 0 HEABHN CC(C)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O ZINC000019699523 569347062 /nfs/dbraw/zinc/34/70/62/569347062.db2.gz BSYWHGRUBZCCNU-UHFFFAOYSA-N 0 3 404.555 2.353 40 0 HEABHN CCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699971 569347146 /nfs/dbraw/zinc/34/71/46/569347146.db2.gz NIOVOFCIRNWEFQ-IBGZPJMESA-N 0 3 412.534 2.017 40 0 HEABHN O=C(NCCN1CCCCC1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000026111770 569349917 /nfs/dbraw/zinc/34/99/17/569349917.db2.gz ATMIUCOJQFXTTG-UHFFFAOYSA-N 0 3 421.607 2.263 40 0 HEABHN CCOC(=O)[C@@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2N(C)CC[C@]513 ZINC000096316401 291204293 /nfs/dbraw/zinc/20/42/93/291204293.db2.gz ONBDLKAADLMHFE-ZTQYASMCSA-N 0 3 411.498 2.479 40 0 biogenic,in-vitro HEABHN CC[C@H](C(=O)NCCN1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712881 558576969 /nfs/dbraw/zinc/57/69/69/558576969.db2.gz ZDIGEYMHOSQIGZ-QGZVFWFLSA-N 0 3 401.960 2.487 40 0 HEABHN CC1CCN(c2ncc(C(=O)N(C[C@@H]3CCCO3)C3CCN(C)CC3)cn2)CC1 ZINC000019497077 558895953 /nfs/dbraw/zinc/89/59/53/558895953.db2.gz OTVHYSILPMCVQQ-FQEVSTJZSA-N 0 3 401.555 2.428 40 0 HEABHN Cc1oc(C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)cc1CN1CCOCC1 ZINC000019582467 558937297 /nfs/dbraw/zinc/93/72/97/558937297.db2.gz HNGMWCXXBBMBPE-HXUWFJFHSA-N 0 3 405.539 2.136 40 0 HEABHN COCCOc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019593734 558944949 /nfs/dbraw/zinc/94/49/49/558944949.db2.gz OKINWRYFHPMTBL-UHFFFAOYSA-N 0 3 406.486 2.458 40 0 HEABHN COCCOc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1 ZINC000019593734 558944951 /nfs/dbraw/zinc/94/49/51/558944951.db2.gz OKINWRYFHPMTBL-UHFFFAOYSA-N 0 3 406.486 2.458 40 0 HEABHN O=S(=O)(c1ccccc1F)N1C[C@@H]2CCCN2C[C@H]1Cn1nnc2ccccc21 ZINC000257248561 558993691 /nfs/dbraw/zinc/99/36/91/558993691.db2.gz JEFGUQIDXKWKJY-HOTGVXAUSA-N 0 3 415.494 2.108 40 0 HEABHN C[C@@H]1CCN(C[C@H]2CC3(CO2)CCN(S(=O)(=O)Cc2ccccc2)CC3)C[C@H]1O ZINC000585105136 559027640 /nfs/dbraw/zinc/02/76/40/559027640.db2.gz ZCYKQSSMODTAMS-HMXCVIKNSA-N 0 3 422.591 2.090 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107438 559027988 /nfs/dbraw/zinc/02/79/88/559027988.db2.gz VVKCEXDPUMMWAE-XMSQKQJNSA-N 0 3 413.543 2.147 40 0 HEABHN CCn1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCC4(CCOC4)CC3)C2)cn1 ZINC000585109188 559030314 /nfs/dbraw/zinc/03/03/14/559030314.db2.gz COSYTPKAXVXSJW-NJYVYQBISA-N 0 3 416.566 2.159 40 0 HEABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 ZINC000096052895 559092623 /nfs/dbraw/zinc/09/26/23/559092623.db2.gz LDMYAQZOTOVPPT-LJQANCHMSA-N 0 3 421.545 2.206 40 0 HEABHN CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096143576 559096049 /nfs/dbraw/zinc/09/60/49/559096049.db2.gz JEEJPRMSVQWIFQ-FCHUYYIVSA-N 0 3 418.541 2.206 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@@H](O)[C@](O)(CNCc2ccc(Cl)cc2)C1 ZINC000585286253 559121828 /nfs/dbraw/zinc/12/18/28/559121828.db2.gz PMEXJOWRWDXWCN-IRLDBZIGSA-N 0 3 402.922 2.387 40 0 HEABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000113949491 559182828 /nfs/dbraw/zinc/18/28/28/559182828.db2.gz UVIVMCKEGXNNBY-UHFFFAOYSA-N 0 3 413.971 2.092 40 0 HEABHN CN1CCN([C@H]2CC[C@](CNC(=O)c3cccnc3)(c3ccccc3)CC[C@@H]2O)CC1 ZINC000257323179 559283184 /nfs/dbraw/zinc/28/31/84/559283184.db2.gz WJAYNENQFJDSHZ-LSQMVHIFSA-N 0 3 422.573 2.300 40 0 HEABHN CN1CCN(CCCNC(=O)CSCc2ccccc2Br)CC1 ZINC000022829350 568499803 /nfs/dbraw/zinc/49/98/03/568499803.db2.gz FKDZCDKPNDYMRQ-UHFFFAOYSA-N 0 3 400.386 2.436 40 0 HEABHN CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000224848968 568600264 /nfs/dbraw/zinc/60/02/64/568600264.db2.gz DHNSJAGOCCUDEB-HXUWFJFHSA-N 0 3 407.580 2.350 40 0 HEABHN CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(C(=O)C2CCN(C)CC2)C1 ZINC000257212722 568779848 /nfs/dbraw/zinc/77/98/48/568779848.db2.gz CERDGPYPEPTHTA-QHCPKHFHSA-N 0 3 410.518 2.191 40 0 HEABHN O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2ccccc2)N1 ZINC000257302739 568805183 /nfs/dbraw/zinc/80/51/83/568805183.db2.gz SECWXSLXCYOBHC-XUZZJYLKSA-N 0 3 421.545 2.342 40 0 HEABHN O=C(C1CC1)N1CCC2(Cc3nc4c(c(=O)n3C2)CN(Cc2ccccc2)CC4)CC1 ZINC000306133180 568895312 /nfs/dbraw/zinc/89/53/12/568895312.db2.gz MEESHTXMOGDMBW-UHFFFAOYSA-N 0 3 418.541 2.377 40 0 HEABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306138291 568900167 /nfs/dbraw/zinc/90/01/67/568900167.db2.gz RUEQPDLEJQZRTA-UHFFFAOYSA-N 0 3 423.517 2.375 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4ccncc4)C[C@H]2C3)cc1 ZINC000306139304 568901091 /nfs/dbraw/zinc/90/10/91/568901091.db2.gz SUFDIQOYOOXGHX-SJORKVTESA-N 0 3 404.474 2.238 40 0 HEABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242522428 568963571 /nfs/dbraw/zinc/96/35/71/568963571.db2.gz ISKDFYVKIGXWFK-SFHLNBCPSA-N 0 3 403.500 2.452 40 0 HEABHN C[C@@]1(N(CCN)S(=O)(=O)c2ccc(C3CCCCC3)cc2)CCS(=O)(=O)C1 ZINC000575420177 569025949 /nfs/dbraw/zinc/02/59/49/569025949.db2.gz ACMAFWNIGCCHPE-LJQANCHMSA-N 0 3 414.593 2.261 40 0 HEABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCCC1)[C@@]1(C2)NC(=O)c2cccnc2N1 ZINC000253595712 569318324 /nfs/dbraw/zinc/31/83/24/569318324.db2.gz HRJRKHBJKIHOJX-XXXPQLKYSA-N 0 3 411.550 2.362 40 0 HEABHN CN(C)CCNc1ncc(-c2ccnc(N3CCOCC3)n2)c(-c2cccs2)n1 ZINC000012325639 132358750 /nfs/dbraw/zinc/35/87/50/132358750.db2.gz QXGZVCWNHAUBHW-UHFFFAOYSA-N 0 3 411.535 2.472 40 0 HEABHN COc1cccc(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1 ZINC000001626544 557277210 /nfs/dbraw/zinc/27/72/10/557277210.db2.gz DIYOZQSDQNTJCS-MRXNPFEDSA-N 0 3 413.817 2.466 40 0 HEABHN O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000005844792 557677319 /nfs/dbraw/zinc/67/73/19/557677319.db2.gz KOHIRBRYDXPAMZ-GPHNJDIKSA-N 0 3 405.441 2.364 40 0 fda HEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000408710313 557738037 /nfs/dbraw/zinc/73/80/37/557738037.db2.gz WUPJRTKLQSYZCL-LJQANCHMSA-N 0 3 422.529 2.464 40 0 HEABHN C[C@H](C(=O)NCCN(C)C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000013632085 558552484 /nfs/dbraw/zinc/55/24/84/558552484.db2.gz KKFXXDYVLXEESH-MRXNPFEDSA-N 0 3 405.520 2.311 40 0 HEABHN O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000033918920 558772257 /nfs/dbraw/zinc/77/22/57/558772257.db2.gz WFXJDXAYENAAMX-UXLLHSPISA-N 0 3 419.319 2.470 40 0 HEABHN CC(C)NC(=O)[C@H]1CN(Cc2ccsc2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450177 558888669 /nfs/dbraw/zinc/88/86/69/558888669.db2.gz CGCLHGCVHDXVEN-ROUUACIJSA-N 0 3 415.563 2.115 40 0 HEABHN CC1CCN(c2ncc(C(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)cn2)CC1 ZINC000019497078 558895973 /nfs/dbraw/zinc/89/59/73/558895973.db2.gz OTVHYSILPMCVQQ-HXUWFJFHSA-N 0 3 401.555 2.428 40 0 HEABHN CCOc1cc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019532111 558912452 /nfs/dbraw/zinc/91/24/52/558912452.db2.gz KQBMZKSRNJHGBH-UHFFFAOYSA-N 0 3 414.506 2.027 40 0 HEABHN CCOc1cc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC ZINC000019532111 558912453 /nfs/dbraw/zinc/91/24/53/558912453.db2.gz KQBMZKSRNJHGBH-UHFFFAOYSA-N 0 3 414.506 2.027 40 0 HEABHN COc1ccccc1N1CCN(C(=O)CN2CCC[C@H](Cn3ccnc3C)C2)CC1 ZINC000019658089 558949870 /nfs/dbraw/zinc/94/98/70/558949870.db2.gz UBSBFCJJXQFEBN-FQEVSTJZSA-N 0 3 411.550 2.261 40 0 HEABHN Cc1ccccc1CNCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 ZINC000019697821 558965498 /nfs/dbraw/zinc/96/54/98/558965498.db2.gz VZGQSEOAKPSIBB-UHFFFAOYSA-N 0 3 409.534 2.190 40 0 HEABHN Cc1cc(C(=O)Nc2cccc(CN3CCC(C)CC3)c2)c2c(=O)[nH]c(=O)n(C)c2n1 ZINC000019716348 558978165 /nfs/dbraw/zinc/97/81/65/558978165.db2.gz YXKYPYULWIJZMO-UHFFFAOYSA-N 0 3 421.501 2.414 40 0 HEABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](CN4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104578 559027171 /nfs/dbraw/zinc/02/71/71/559027171.db2.gz QNZZBFPVQGNVDE-VXKWHMMOSA-N 0 3 415.578 2.150 40 0 HEABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cnccn3)CC2)c2ccccc21 ZINC000096052893 559092660 /nfs/dbraw/zinc/09/26/60/559092660.db2.gz XMZUNEGOUXJPCK-GOSISDBHSA-N 0 3 421.545 2.206 40 0 HEABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCc2cccnc2)Cn2ccnc23)o1 ZINC000096243824 559104921 /nfs/dbraw/zinc/10/49/21/559104921.db2.gz RTUULVIAABMYEK-FQEVSTJZSA-N 0 3 421.501 2.386 40 0 HEABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCc2cccnc2)Cn2ccnc23)o1 ZINC000096243823 559104929 /nfs/dbraw/zinc/10/49/29/559104929.db2.gz RTUULVIAABMYEK-HXUWFJFHSA-N 0 3 421.501 2.386 40 0 HEABHN COCCN1CC[C@H](c2nnc3ccc(C(=O)NCc4cccc(OC)c4)cn32)C1 ZINC000096267478 559108231 /nfs/dbraw/zinc/10/82/31/559108231.db2.gz YPEKJGILYBMGDH-KRWDZBQOSA-N 0 3 409.490 2.104 40 0 HEABHN O[C@H]1[C@H](Oc2ccccc2)C[C@@H](NCc2ccc(F)cc2)[C@@H]1N1CCC(O)CC1 ZINC000585262409 559110878 /nfs/dbraw/zinc/11/08/78/559110878.db2.gz RHUIXAGGGZPPKX-LUKWVAJMSA-N 0 3 400.494 2.321 40 0 HEABHN COCCOc1cc(CN(C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OC ZINC000585269616 559115477 /nfs/dbraw/zinc/11/54/77/559115477.db2.gz BZZZAOMPBFNOFM-JOCHJYFZSA-N 0 3 419.497 2.328 40 0 HEABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCOCCO)cc1 ZINC000585269871 559116094 /nfs/dbraw/zinc/11/60/94/559116094.db2.gz OADTWTHZJZWBGJ-HXUWFJFHSA-N 0 3 419.518 2.345 40 0 HEABHN COc1ccc(CNC[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585286336 559121951 /nfs/dbraw/zinc/12/19/51/559121951.db2.gz ZAUIJXUOJCUMSJ-PZJWPPBQSA-N 0 3 404.894 2.076 40 0 HEABHN CCOc1ccc(CNC[C@@]2(O)CCN(C(=O)CCc3ccccc3)C[C@@H]2O)cc1 ZINC000585288913 559122275 /nfs/dbraw/zinc/12/22/75/559122275.db2.gz ANPIXNABPNJWFT-UPVQGACJSA-N 0 3 412.530 2.132 40 0 HEABHN O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 ZINC000585291186 559123605 /nfs/dbraw/zinc/12/36/05/559123605.db2.gz LJUYMJDWIXSYKT-CTNGQTDRSA-N 0 3 422.447 2.362 40 0 HEABHN COc1ccc(CN2CCC3(CN(c4ncccn4)C[C@]34CCN(C)C4=O)CC2)cc1 ZINC000097952863 559124915 /nfs/dbraw/zinc/12/49/15/559124915.db2.gz XWXIMBXQNZVUFN-DEOSSOPVSA-N 0 3 421.545 2.436 40 0 HEABHN COc1ccccc1CN1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289491 560032642 /nfs/dbraw/zinc/03/26/42/560032642.db2.gz MNAQRQMNXUYEPE-DHIUTWEWSA-N 0 3 407.558 2.243 40 0 biogenic,in-vitro HEABHN CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCOC)cc2c1 ZINC000004133596 560600657 /nfs/dbraw/zinc/60/06/57/560600657.db2.gz MXWOZHPNJPDITM-UHFFFAOYSA-N 0 3 420.579 2.201 40 0 HEABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986867 560619348 /nfs/dbraw/zinc/61/93/48/560619348.db2.gz GHVBHXBDUNEJDP-VXKWHMMOSA-N 0 3 422.529 2.435 40 0 HEABHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101498975 560728704 /nfs/dbraw/zinc/72/87/04/560728704.db2.gz WDKZIRCIAYUKBA-OTWHNJEPSA-N 0 3 407.580 2.372 40 0 HEABHN CN1CCC(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000219142202 568487211 /nfs/dbraw/zinc/48/72/11/568487211.db2.gz DQKMVWXBOILNLT-UHFFFAOYSA-N 0 3 423.485 2.371 40 0 HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccnc2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382619 568489533 /nfs/dbraw/zinc/48/95/33/568489533.db2.gz VAFISSNGLJRUHO-SSGKUCQKSA-N 0 3 420.513 2.141 40 0 biogenic,in-vitro HEABHN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)cc2C)cc1 ZINC000224225807 568574299 /nfs/dbraw/zinc/57/42/99/568574299.db2.gz CTCXKFKKHMBYLQ-UHFFFAOYSA-N 0 3 405.520 2.120 40 0 HEABHN CN([C@H](C(=O)NCCCN1CCc2ccccc2C1)c1ccccc1)S(C)(=O)=O ZINC000260764122 568738029 /nfs/dbraw/zinc/73/80/29/568738029.db2.gz JWDVTAHULBMFGW-NRFANRHFSA-N 0 3 415.559 2.184 40 0 HEABHN Nc1nc(CCC(=O)N2CCC[C@](O)(CN3CCc4ccccc4C3)CC2)cs1 ZINC000257225992 568783717 /nfs/dbraw/zinc/78/37/17/568783717.db2.gz FIRUYBLWXBAEIR-JOCHJYFZSA-N 0 3 414.575 2.460 40 0 HEABHN Cc1cc(C(=O)N2CCC[C@](O)(C[N@H+](C)Cc3ccc(F)cc3)CC2)[n-]c(=O)n1 ZINC000257252596 568791128 /nfs/dbraw/zinc/79/11/28/568791128.db2.gz JVIIVFKXJDFWQT-OAQYLSRUSA-N 0 3 402.470 2.119 40 0 HEABHN Cc1cc(C(=O)N2CCC[C@](O)(C[N@@H+](C)Cc3ccc(F)cc3)CC2)[n-]c(=O)n1 ZINC000257252596 568791131 /nfs/dbraw/zinc/79/11/31/568791131.db2.gz JVIIVFKXJDFWQT-OAQYLSRUSA-N 0 3 402.470 2.119 40 0 HEABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(C4CCCC4)c(=O)c2=O)CO3)s1 ZINC000306123809 568886893 /nfs/dbraw/zinc/88/68/93/568886893.db2.gz AXMWTJWPWACBEZ-HXUWFJFHSA-N 0 3 402.520 2.065 40 0 HEABHN CC(C)n1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)cn1 ZINC000306127278 568890029 /nfs/dbraw/zinc/89/00/29/568890029.db2.gz FTYWOYQVZZJNBH-WOJBJXKFSA-N 0 3 419.533 2.290 40 0 HEABHN Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@@]2(CCCC[C@H]2N2CCCC2)C1 ZINC000306128458 568891134 /nfs/dbraw/zinc/89/11/34/568891134.db2.gz HAVWAOMBYRDTNU-QAPCUYQASA-N 0 3 416.975 2.180 40 0 HEABHN CCn1cc(CN2C[C@@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131463 568893722 /nfs/dbraw/zinc/89/37/22/568893722.db2.gz KFHHDUKEZGUQSN-UGKGYDQZSA-N 0 3 414.554 2.145 40 0 HEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107514 568925703 /nfs/dbraw/zinc/92/57/03/568925703.db2.gz ISKDFYVKIGXWFK-IRFCIJBXSA-N 0 3 403.500 2.452 40 0 HEABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167167 568926884 /nfs/dbraw/zinc/92/68/84/568926884.db2.gz VZNMCNOMUINIOL-SVFBPWRDSA-N 0 3 417.483 2.172 40 0 HEABHN C[C@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699466 569346935 /nfs/dbraw/zinc/34/69/35/569346935.db2.gz GKJXCGGXJQJDDX-PXNSSMCTSA-N 0 3 424.545 2.220 40 0 HEABHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699858 569347089 /nfs/dbraw/zinc/34/70/89/569347089.db2.gz YOZQFRRGZLGRGO-MISYRCLQSA-N 0 3 424.545 2.220 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O ZINC000019699912 569347140 /nfs/dbraw/zinc/34/71/40/569347140.db2.gz GGWOQYZYCLOOSP-LJQANCHMSA-N 0 3 412.534 2.017 40 0 HEABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)CC1 ZINC000049155128 291205342 /nfs/dbraw/zinc/20/53/42/291205342.db2.gz MHVGJTWGRXDMEF-IBGZPJMESA-N 0 3 411.554 2.115 40 0 biogenic,in-vitro HEABHN CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCN(C)CC2)c1 ZINC000022926974 526126473 /nfs/dbraw/zinc/12/64/73/526126473.db2.gz WUZFLECBPDGKIK-CMKODMSKSA-N 0 3 417.623 2.488 40 0 biogenic,in-vitro HEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1C ZINC000408709035 557737078 /nfs/dbraw/zinc/73/70/78/557737078.db2.gz OHZBLNQBXRBQOL-LJQANCHMSA-N 0 3 422.529 2.464 40 0 HEABHN CCCN1CCCc2cc(-c3cncn3CCN[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719578 558257919 /nfs/dbraw/zinc/25/79/19/558257919.db2.gz WVSMRQZRHWGCFS-IBGZPJMESA-N 0 3 402.564 2.489 40 0 HEABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)cc1 ZINC000019211451 558848480 /nfs/dbraw/zinc/84/84/80/558848480.db2.gz PPKIQMYAGPDXKE-LJQANCHMSA-N 0 3 416.547 2.371 40 0 HEABHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)cc1 ZINC000019211451 558848481 /nfs/dbraw/zinc/84/84/81/558848481.db2.gz PPKIQMYAGPDXKE-LJQANCHMSA-N 0 3 416.547 2.371 40 0 HEABHN Cn1nc(-c2ccccn2)cc1CN1CCC(NC(=O)CN2CCCCCC2)CC1 ZINC000019288951 558861802 /nfs/dbraw/zinc/86/18/02/558861802.db2.gz RPYJQKZZDAXTHO-UHFFFAOYSA-N 0 3 410.566 2.439 40 0 HEABHN CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1 ZINC000072379957 558968025 /nfs/dbraw/zinc/96/80/25/558968025.db2.gz GYUZWAZSFACHLD-UHFFFAOYSA-N 0 3 424.467 2.434 40 0 HEABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103593 559025653 /nfs/dbraw/zinc/02/56/53/559025653.db2.gz KHJODKZOOMTDOC-KRWDZBQOSA-N 0 3 401.536 2.385 40 0 HEABHN C[C@@H]1CCN(C[C@@H]2CC3(CO2)CCN(C(=O)Cc2ccc(O)cc2)CC3)C[C@H]1O ZINC000585105145 559027580 /nfs/dbraw/zinc/02/75/80/559027580.db2.gz ZKPSCDLRICGUNB-JRGCBEDISA-N 0 3 402.535 2.035 40 0 HEABHN Cn1cncc1CN1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000585109506 559029389 /nfs/dbraw/zinc/02/93/89/559029389.db2.gz UZMIWURLPLPMTC-YSGRDPCXSA-N 0 3 404.461 2.242 40 0 HEABHN COc1ccc(CN2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096056106 559093911 /nfs/dbraw/zinc/09/39/11/559093911.db2.gz ZEDFAZPQSCPEFQ-CVDCTZTESA-N 0 3 409.534 2.292 40 0 HEABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(Cc1cnn(C)c1)CCC2 ZINC000096056077 559093992 /nfs/dbraw/zinc/09/39/92/559093992.db2.gz NZQMNNFGUCXEPQ-REWPJTCUSA-N 0 3 411.550 2.401 40 0 HEABHN COc1cccc(CN2Cc3ccccc3[C@]23CO[C@H](C(=O)NCCN(C)C)C3)c1 ZINC000096143939 559096461 /nfs/dbraw/zinc/09/64/61/559096461.db2.gz JCOMOFLPPAQMMC-UPVQGACJSA-N 0 3 409.530 2.373 40 0 HEABHN COCCN(C)C(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155701 559099891 /nfs/dbraw/zinc/09/98/91/559099891.db2.gz ZEBKSLFRJWCMMA-UHFFFAOYSA-N 0 3 408.506 2.222 40 0 HEABHN COc1ccccc1CN[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(O)CC1 ZINC000585262379 559110929 /nfs/dbraw/zinc/11/09/29/559110929.db2.gz GGAUSEAYVQSLQV-AZOUXBGGSA-N 0 3 412.530 2.191 40 0 HEABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@]1(O)CCCN(c2ncccn2)C1 ZINC000585269899 559116112 /nfs/dbraw/zinc/11/61/12/559116112.db2.gz PBFZPKFJHVMHOK-QHCPKHFHSA-N 0 3 422.533 2.252 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585283002 559120381 /nfs/dbraw/zinc/12/03/81/559120381.db2.gz AMFPUFKPTUNSAC-FPOVZHCZSA-N 0 3 424.875 2.275 40 0 HEABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000113949388 559182789 /nfs/dbraw/zinc/18/27/89/559182789.db2.gz QUUGVYJSGCDJQX-UHFFFAOYSA-N 0 3 413.971 2.092 40 0 HEABHN CCOCCOc1ccc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)cc1 ZINC000257206101 559282455 /nfs/dbraw/zinc/28/24/55/559282455.db2.gz BBVSOVVFDGAOOJ-SSGKUCQKSA-N 0 3 420.550 2.111 40 0 HEABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000004133455 560600566 /nfs/dbraw/zinc/60/05/66/560600566.db2.gz ITWRDFCWHFGNKN-GOSISDBHSA-N 0 3 402.564 2.254 40 0 HEABHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000101498977 560728680 /nfs/dbraw/zinc/72/86/80/560728680.db2.gz WDKZIRCIAYUKBA-CEXWTWQISA-N 0 3 407.580 2.372 40 0 HEABHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCCN3CCOCC3)o2)c1 ZINC000007540550 560751613 /nfs/dbraw/zinc/75/16/13/560751613.db2.gz RPBINJCJPDWEET-UHFFFAOYSA-N 0 3 416.474 2.332 40 0 HEABHN O=c1c2cnc(N3CCN(Cc4ccccc4)CC3)nc2ccn1CCc1cnc[nH]1 ZINC000009262589 560758292 /nfs/dbraw/zinc/75/82/92/560758292.db2.gz ALZNEGFDHGAHIB-UHFFFAOYSA-N 0 3 415.501 2.080 40 0 HEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ccc(C)cn3)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257214322 568780198 /nfs/dbraw/zinc/78/01/98/568780198.db2.gz CLOYKBKUJCVWOZ-CZYKHXBRSA-N 0 3 411.502 2.174 40 0 HEABHN COc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)N4CCOCC4)c(C)n3)C2)cc1 ZINC000257247538 568789408 /nfs/dbraw/zinc/78/94/08/568789408.db2.gz IZKQWTSWNQMTHD-FQEVSTJZSA-N 0 3 424.545 2.493 40 0 HEABHN Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 ZINC000257282723 568799445 /nfs/dbraw/zinc/79/94/45/568799445.db2.gz OUZSDTQWLVCWSH-HSZRJFAPSA-N 0 3 409.534 2.142 40 0 HEABHN Cc1nccn1[C@@H]1CC[C@@H](NC(=O)C2(Cc3ccccc3F)CCN(C)CC2)[C@H]1O ZINC000257296194 568803280 /nfs/dbraw/zinc/80/32/80/568803280.db2.gz RBQOXIGAUGXHIA-NJDAHSKKSA-N 0 3 414.525 2.466 40 0 HEABHN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccncc3)CC2)C1 ZINC000306136100 568897884 /nfs/dbraw/zinc/89/78/84/568897884.db2.gz PIYYNGILLZVIAN-UHFFFAOYSA-N 0 3 419.489 2.308 40 0 HEABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NCC(C)C)CN3C)cc1C ZINC000306139250 568901104 /nfs/dbraw/zinc/90/11/04/568901104.db2.gz STGGTCXLCMJEHY-QHCPKHFHSA-N 0 3 410.566 2.371 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccsc2)C1 ZINC000306144130 568905426 /nfs/dbraw/zinc/90/54/26/568905426.db2.gz YWTDISVRBRGEIM-IBGZPJMESA-N 0 3 400.529 2.124 40 0 HEABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107368 568925745 /nfs/dbraw/zinc/92/57/45/568925745.db2.gz ISKDFYVKIGXWFK-SVFBPWRDSA-N 0 3 403.500 2.452 40 0 HEABHN CCc1ccc(S(=O)(=O)N(CCCN(CC)CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000575421042 569025762 /nfs/dbraw/zinc/02/57/62/569025762.db2.gz MQCVCXJMAFGPOJ-GOSISDBHSA-N 0 3 416.609 2.159 40 0 HEABHN COc1ccc(OC)c(CC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)c1 ZINC000019760187 569429620 /nfs/dbraw/zinc/42/96/20/569429620.db2.gz ANDYGCUIJQTERG-SFHVURJKSA-N 0 3 413.522 2.185 40 0 HEABHN CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3cccc(Cl)c3)CN21 ZINC000035442314 291204016 /nfs/dbraw/zinc/20/40/16/291204016.db2.gz GMXQHGPHOGMZSY-OTWHNJEPSA-N 0 3 406.958 2.020 40 0 biogenic,in-vitro HEABHN CN(Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NCc2ccccc2)nn1)Cc1ccccc1 ZINC000006137825 291205346 /nfs/dbraw/zinc/20/53/46/291205346.db2.gz FQPBZZOFKFVYEL-CJRSTVEYSA-N 0 3 419.529 2.407 40 0 biogenic,in-vitro HEABHN O=S1(=O)CC[C@@H](NCCn2cncc2-c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000019719546 558258001 /nfs/dbraw/zinc/25/80/01/558258001.db2.gz BWHOKXRCXAGHRA-MRXNPFEDSA-N 0 3 405.911 2.166 40 0 HEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(OC)cc1 ZINC000020636762 558396194 /nfs/dbraw/zinc/39/61/94/558396194.db2.gz UZWLBXWFISULRZ-UXHICEINSA-N 0 3 407.470 2.460 40 0 HEABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12 ZINC000022913465 558520510 /nfs/dbraw/zinc/52/05/10/558520510.db2.gz LGRABJDVNICZRO-UHFFFAOYSA-N 0 3 409.534 2.433 40 0 HEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(C)cc(C)c2)cc1 ZINC000013613564 558549219 /nfs/dbraw/zinc/54/92/19/558549219.db2.gz YWBMGISYWBQSHT-UHFFFAOYSA-N 0 3 403.548 2.485 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1C(=O)N1CCCC1 ZINC000013675031 558564002 /nfs/dbraw/zinc/56/40/02/558564002.db2.gz VIGNIMLYTBQFNU-UHFFFAOYSA-N 0 3 423.579 2.332 40 0 HEABHN CC(C)(CN1CCOCC1)CN1CCc2c([nH]c3cc(-c4ccco4)nn3c2=O)C1 ZINC000019084972 558840946 /nfs/dbraw/zinc/84/09/46/558840946.db2.gz XYGPXOKEEPOJPD-UHFFFAOYSA-N 0 3 411.506 2.411 40 0 HEABHN CC(C)COc1cccc(C[N@@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019447375 558886513 /nfs/dbraw/zinc/88/65/13/558886513.db2.gz HAQXGIYBWIKNEB-UHFFFAOYSA-N 0 3 412.534 2.242 40 0 HEABHN CC(C)COc1cccc(C[N@H+]2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1 ZINC000019447375 558886515 /nfs/dbraw/zinc/88/65/15/558886515.db2.gz HAQXGIYBWIKNEB-UHFFFAOYSA-N 0 3 412.534 2.242 40 0 HEABHN COc1ccc(CN2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)cc1CO ZINC000019559382 558920740 /nfs/dbraw/zinc/92/07/40/558920740.db2.gz JOGXLXODKRIYQX-REWPJTCUSA-N 0 3 414.477 2.201 40 0 HEABHN CCCc1nn(CC(=O)NC[C@@H]2CCCN2CC)c(=O)c2cc3ccsc3n21 ZINC000072335266 558936210 /nfs/dbraw/zinc/93/62/10/558936210.db2.gz QMMCXOVHOOJYIW-HNNXBMFYSA-N 0 3 401.536 2.264 40 0 HEABHN NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)C1 ZINC000072373043 558960832 /nfs/dbraw/zinc/96/08/32/558960832.db2.gz HKCULRPHOXOPES-FSSWDIPSSA-N 0 3 419.525 2.341 40 0 HEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)c1ccc(NC(C)=O)cc1)C2 ZINC000019707869 558969955 /nfs/dbraw/zinc/96/99/55/558969955.db2.gz IFUOFCFPSHGVGF-UHFFFAOYSA-N 0 3 422.533 2.484 40 0 HEABHN CN1CCC(C(=O)N2CCC[C@@H]2c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC000019707841 558969995 /nfs/dbraw/zinc/96/99/95/558969995.db2.gz ABBZJLHRSJQGHL-MRXNPFEDSA-N 0 3 418.542 2.034 40 0 HEABHN CNc1nc(C2CCN(C)CC2)nc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000019710688 558972912 /nfs/dbraw/zinc/97/29/12/558972912.db2.gz OQDPSXDOSYZOKS-UHFFFAOYSA-N 0 3 409.534 2.464 40 0 HEABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1nnsc1C)CC2 ZINC000585103604 559025610 /nfs/dbraw/zinc/02/56/10/559025610.db2.gz KHJODKZOOMTDOC-QGZVFWFLSA-N 0 3 401.536 2.385 40 0 HEABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](CN4CCC[C@H](O)C4)C3)CC2)cc1 ZINC000585104576 559027146 /nfs/dbraw/zinc/02/71/46/559027146.db2.gz QNZZBFPVQGNVDE-FCHUYYIVSA-N 0 3 415.578 2.150 40 0 HEABHN COc1cccc(CN2Cc3ccccc3[C@]23CO[C@@H](C(=O)NCCN(C)C)C3)c1 ZINC000096143940 559096450 /nfs/dbraw/zinc/09/64/50/559096450.db2.gz JCOMOFLPPAQMMC-VWNXMTODSA-N 0 3 409.530 2.373 40 0 HEABHN COc1ccc(CN2CCC3(CC2)[C@@H]2CN(c4ncccn4)C[C@@H]2C(=O)N3C)cc1 ZINC000096262249 559106347 /nfs/dbraw/zinc/10/63/47/559106347.db2.gz OMZPPVMZBQFOKQ-VQTJNVASSA-N 0 3 407.518 2.044 40 0 HEABHN CCOCCOc1ccc(CN(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257308761 559286185 /nfs/dbraw/zinc/28/61/85/559286185.db2.gz TXZLAFHIWDVSLD-QFIPXVFZSA-N 0 3 400.523 2.355 40 0 HEABHN CCN(Cc1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224457896 568581820 /nfs/dbraw/zinc/58/18/20/568581820.db2.gz BTELKSAUSYNIQW-UHFFFAOYSA-N 0 3 403.548 2.497 40 0 HEABHN CN1CCN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc5c(c4)CCC5)C2)COC3)CC1 ZINC000248100906 568747346 /nfs/dbraw/zinc/74/73/46/568747346.db2.gz DVHSOGHZCYGPLB-VWLOTQADSA-N 0 3 419.573 2.391 40 0 HEABHN COc1ccc(CN(C)C[C@@]2(O)CCCN(C(=O)Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000257208056 568778614 /nfs/dbraw/zinc/77/86/14/568778614.db2.gz BKMVSPWZEUOBQL-HSZRJFAPSA-N 0 3 414.550 2.453 40 0 HEABHN CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)C2CCN(C)CC2)CC1 ZINC000257214026 568780168 /nfs/dbraw/zinc/78/01/68/568780168.db2.gz CKFCYIANTALQFU-CQOQZXRMSA-N 0 3 415.578 2.164 40 0 HEABHN Cc1ccc(CN2C[C@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@@H]3C2)s1 ZINC000306125451 568888254 /nfs/dbraw/zinc/88/82/54/568888254.db2.gz CRFJFHMVYDEZMU-PKOBYXMFSA-N 0 3 408.527 2.361 40 0 HEABHN CC(C)n1cc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)cn1 ZINC000306127277 568889994 /nfs/dbraw/zinc/88/99/94/568889994.db2.gz FTYWOYQVZZJNBH-VQTJNVASSA-N 0 3 419.533 2.290 40 0 HEABHN O=C(NCC1CC1)[C@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000306133034 568895118 /nfs/dbraw/zinc/89/51/18/568895118.db2.gz LZTFWMNOCHPQIH-NZQKXSOJSA-N 0 3 406.534 2.116 40 0 HEABHN Cc1ncsc1CN1C[C@@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000306143528 568904832 /nfs/dbraw/zinc/90/48/32/568904832.db2.gz YEQICXSMTWMIGI-IAGOWNOFSA-N 0 3 408.531 2.277 40 0 HEABHN CCOc1ccc(CN2CCC(N3C(=O)NC4(CCN(CC)CC4)C3=O)CC2)cc1 ZINC000019699540 569347041 /nfs/dbraw/zinc/34/70/41/569347041.db2.gz AIYXPXDNIWZQLX-UHFFFAOYSA-N 0 3 414.550 2.456 40 0 HEABHN O=C(C1CCC1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699869 569347144 /nfs/dbraw/zinc/34/71/44/569347144.db2.gz LLBPUMXSIKQRCR-FQEVSTJZSA-N 0 3 424.545 2.364 40 0 HEABHN CN1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000022926951 291205439 /nfs/dbraw/zinc/20/54/39/291205439.db2.gz OPURDJSLFFTBCW-CMKODMSKSA-N 0 3 424.511 2.393 40 0 biogenic,in-vitro HEABHN COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nn1C ZINC000008635344 291206269 /nfs/dbraw/zinc/20/62/69/291206269.db2.gz WLQWVEVQVTUQMS-SXLOBPIMSA-N 0 3 411.550 2.094 40 0 biogenic,in-vitro HEABHN O[C@@H]1[C@@H](N2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1NCc1ccc(OC(F)(F)F)cc1 ZINC000012529600 291213927 /nfs/dbraw/zinc/21/39/27/291213927.db2.gz OZAGHCICDXHSSN-HSFUPAIVSA-N 0 3 402.413 2.014 40 0 biogenic,in-vitro HEABHN CCC1(CC)C(=O)[N-]C(=O)N(CCCC[NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000010150758 132345335 /nfs/dbraw/zinc/34/53/35/132345335.db2.gz WBOOIXMHPGLFCG-UHFFFAOYSA-N 0 3 400.523 2.474 40 0 HEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000408710312 557738094 /nfs/dbraw/zinc/73/80/94/557738094.db2.gz WUPJRTKLQSYZCL-IBGZPJMESA-N 0 3 422.529 2.464 40 0 HEABHN C[C@@H](CNC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O)N1CCCCC1 ZINC000019750701 558270592 /nfs/dbraw/zinc/27/05/92/558270592.db2.gz XTFHLVRZTCWVOC-INIZCTEOSA-N 0 3 414.481 2.230 40 0 HEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccccc1 ZINC000020636916 558396373 /nfs/dbraw/zinc/39/63/73/558396373.db2.gz CFNCQLHKNUXGSO-UXHICEINSA-N 0 3 424.476 2.354 40 0 HEABHN CC[C@@H](C(=O)NCCN1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715028 558578532 /nfs/dbraw/zinc/57/85/32/558578532.db2.gz HXTHIELCZMNIFP-KRWDZBQOSA-N 0 3 401.960 2.487 40 0 HEABHN COc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1OCCN1CCOCC1 ZINC000036743625 558802447 /nfs/dbraw/zinc/80/24/47/558802447.db2.gz MFXJCMJTJJGBBX-XMMPIXPASA-N 0 3 412.530 2.500 40 0 HEABHN CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCN(C)CC2)n1 ZINC000019527170 558908254 /nfs/dbraw/zinc/90/82/54/558908254.db2.gz LALZLKQHKBADMQ-QFIPXVFZSA-N 0 3 409.582 2.110 40 0 HEABHN CN1CCN(CCCNC(=O)COc2ccc(Cl)cc2Br)CC1 ZINC000061524648 558945299 /nfs/dbraw/zinc/94/52/99/558945299.db2.gz JMCSODYZZJLLJV-UHFFFAOYSA-N 0 3 404.736 2.235 40 0 HEABHN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCN1C1CCCCC1 ZINC000019660073 558951300 /nfs/dbraw/zinc/95/13/00/558951300.db2.gz TWIRRYVYPVESFF-HXUWFJFHSA-N 0 3 405.564 2.494 40 0 HEABHN CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2=O ZINC000019699430 558966720 /nfs/dbraw/zinc/96/67/20/558966720.db2.gz HCRKXPZJTKBFJO-UHFFFAOYSA-N 0 3 412.534 2.220 40 0 HEABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)cc1 ZINC000585105120 559027658 /nfs/dbraw/zinc/02/76/58/559027658.db2.gz YQCQWGDNAWRPDU-JOCHJYFZSA-N 0 3 415.578 2.150 40 0 HEABHN O=C(c1cccs1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000096036346 559089990 /nfs/dbraw/zinc/08/99/90/559089990.db2.gz LODBFLJMFLJBJX-JOCHJYFZSA-N 0 3 410.543 2.388 40 0 HEABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1ccnnc1)CCC2 ZINC000096056092 559093889 /nfs/dbraw/zinc/09/38/89/559093889.db2.gz KINXLSJZTWTZFA-XXBNENTESA-N 0 3 423.517 2.098 40 0 HEABHN CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)NC(C)C)CC3)C1=O ZINC000096144405 559096678 /nfs/dbraw/zinc/09/66/78/559096678.db2.gz XQKWPFTYOIXGFX-QHCPKHFHSA-N 0 3 413.566 2.336 40 0 HEABHN Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCN(c4ncccn4)C3)cc2)n1 ZINC000585271280 559116657 /nfs/dbraw/zinc/11/66/57/559116657.db2.gz VYZJQGNCCQPKAD-HSZRJFAPSA-N 0 3 422.533 2.100 40 0 HEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2cc(F)cc(F)c2)C1 ZINC000585281990 559119740 /nfs/dbraw/zinc/11/97/40/559119740.db2.gz DVUNPODYFXIOAS-NRFANRHFSA-N 0 3 412.477 2.198 40 0 HEABHN COCC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2ccc(F)c(F)c2)C1 ZINC000585284136 559120393 /nfs/dbraw/zinc/12/03/93/559120393.db2.gz VDVDHLAKKFALJW-OAQYLSRUSA-N 0 3 412.477 2.198 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2cc(F)cc(F)c2)C1 ZINC000585283800 559120834 /nfs/dbraw/zinc/12/08/34/559120834.db2.gz HTNKNIXYNVOTHV-PZJWPPBQSA-N 0 3 424.875 2.275 40 0 HEABHN O=C(c1ccsc1)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC000097952842 559124869 /nfs/dbraw/zinc/12/48/69/559124869.db2.gz YUNYXTGZOSTXEW-QFIPXVFZSA-N 0 3 410.543 2.388 40 0 HEABHN O=C(c1cccc(F)c1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000105187736 559162356 /nfs/dbraw/zinc/16/23/56/559162356.db2.gz QXEIFDVCVMYTPC-LJQANCHMSA-N 0 3 413.424 2.491 40 0 HEABHN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000409412760 560723008 /nfs/dbraw/zinc/72/30/08/560723008.db2.gz YOZQFRRGZLGRGO-YZGWKJHDSA-N 0 3 424.545 2.220 40 0 HEABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3cccnc3C)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257255768 568791877 /nfs/dbraw/zinc/79/18/77/568791877.db2.gz KITSIVMHSAEIMA-CZYKHXBRSA-N 0 3 411.502 2.174 40 0 HEABHN COc1ccc(CN(C)C[C@]2(O)CCCN(C(=O)c3n[nH]c4c3CCC4)CC2)cc1 ZINC000257322842 568811243 /nfs/dbraw/zinc/81/12/43/568811243.db2.gz WHPUODMNTKOGNH-QHCPKHFHSA-N 0 3 412.534 2.396 40 0 HEABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131460 568893660 /nfs/dbraw/zinc/89/36/60/568893660.db2.gz KFHHDUKEZGUQSN-DENIHFKCSA-N 0 3 414.554 2.145 40 0 HEABHN C[C@H]1CN(c2ncc3c(n2)[C@]2(CCN(Cc4ccc(O)cc4)C2)COC3)C[C@H](C)O1 ZINC000306142211 568903737 /nfs/dbraw/zinc/90/37/37/568903737.db2.gz WTMGLZOOEZPVDL-QQMNAOGKSA-N 0 3 410.518 2.470 40 0 HEABHN C[C@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000253602860 569318439 /nfs/dbraw/zinc/31/84/39/569318439.db2.gz SICLQQZOPMUEEB-RDJZCZTQSA-N 0 3 422.595 2.360 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC3CCCCC3)CC1)C2=O ZINC000019699545 569347014 /nfs/dbraw/zinc/34/70/14/569347014.db2.gz OPFMJWCLGBLAIG-UHFFFAOYSA-N 0 3 404.555 2.354 40 0 HEABHN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699856 569347121 /nfs/dbraw/zinc/34/71/21/569347121.db2.gz YOZQFRRGZLGRGO-RLLQIKCJSA-N 0 3 424.545 2.220 40 0 HEABHN CNCc1cc(N(C)C)nc([C@H]2CCCN(CC(=O)Nc3ccc(OC)cc3)C2)n1 ZINC000019709558 569348056 /nfs/dbraw/zinc/34/80/56/569348056.db2.gz QBDSSHLCYWVPRS-INIZCTEOSA-N 0 3 412.538 2.089 40 0 HEABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1 ZINC000008635649 291203433 /nfs/dbraw/zinc/20/34/33/291203433.db2.gz GEZUKUQVCYYWRV-CNNODRBYSA-N 0 3 417.573 2.366 40 0 biogenic,in-vitro HEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000408709890 557738594 /nfs/dbraw/zinc/73/85/94/557738594.db2.gz ZAEXBMFLKJOHTE-SFHVURJKSA-N 0 3 408.502 2.156 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1N1CCCC1=O ZINC000020457000 558370187 /nfs/dbraw/zinc/37/01/87/558370187.db2.gz BVSHLDLFRTZMBW-UHFFFAOYSA-N 0 3 409.552 2.366 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1N1CCCC1=O ZINC000020495059 558380237 /nfs/dbraw/zinc/38/02/37/558380237.db2.gz CIRHWBXOOKCECU-IAGOWNOFSA-N 0 3 423.579 2.468 40 0 HEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(F)cc1 ZINC000020674719 558399218 /nfs/dbraw/zinc/39/92/18/558399218.db2.gz MXCAJKXVLWKSTG-WOJBJXKFSA-N 0 3 424.476 2.354 40 0 HEABHN COc1ccc2c(c1)c(CN1CCC(N3C[C@@H](C)O[C@H](C)C3)CC1)cn2CC(N)=O ZINC000036741489 558802229 /nfs/dbraw/zinc/80/22/29/558802229.db2.gz FBQLRYYVPBUBAT-IAGOWNOFSA-N 0 3 414.550 2.209 40 0 HEABHN COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)ccc1C ZINC000019214639 558849726 /nfs/dbraw/zinc/84/97/26/558849726.db2.gz NWQCNCNLIHEOKN-GOSISDBHSA-N 0 3 424.545 2.414 40 0 HEABHN COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)ccc1C ZINC000019214639 558849728 /nfs/dbraw/zinc/84/97/28/558849728.db2.gz NWQCNCNLIHEOKN-GOSISDBHSA-N 0 3 424.545 2.414 40 0 HEABHN Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1cccnc1)CC1(CCN(C)CC1)O2 ZINC000019218610 558851171 /nfs/dbraw/zinc/85/11/71/558851171.db2.gz SCVMVURZHDUBNZ-UHFFFAOYSA-N 0 3 408.502 2.005 40 0 HEABHN CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCN(C)CC2)n1 ZINC000019527169 558908328 /nfs/dbraw/zinc/90/83/28/558908328.db2.gz LALZLKQHKBADMQ-JOCHJYFZSA-N 0 3 409.582 2.110 40 0 HEABHN Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)n1 ZINC000019572417 558930702 /nfs/dbraw/zinc/93/07/02/558930702.db2.gz BHLNJLLBZXTDOW-UHFFFAOYSA-N 0 3 408.506 2.371 40 0 HEABHN Cc1nc(C)c(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)s1 ZINC000585103693 559025739 /nfs/dbraw/zinc/02/57/39/559025739.db2.gz IDPGHYBOEUDZNS-ZTFGCOKTSA-N 0 3 407.580 2.474 40 0 HEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103171 559026575 /nfs/dbraw/zinc/02/65/75/559026575.db2.gz FDZLKYFKCJURGZ-DBXWQHBBSA-N 0 3 402.535 2.415 40 0 HEABHN Cc1ccc([O-])c(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103171 559026576 /nfs/dbraw/zinc/02/65/76/559026576.db2.gz FDZLKYFKCJURGZ-DBXWQHBBSA-N 0 3 402.535 2.415 40 0 HEABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)cc1 ZINC000585105121 559027601 /nfs/dbraw/zinc/02/76/01/559027601.db2.gz YQCQWGDNAWRPDU-QFIPXVFZSA-N 0 3 415.578 2.150 40 0 HEABHN O=C(NCC1CC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056151 559093878 /nfs/dbraw/zinc/09/38/78/559093878.db2.gz UKBQYLVGYNLROK-REWPJTCUSA-N 0 3 406.534 2.116 40 0 HEABHN CC(C)CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(=O)N(C)C)[C@H]2CC1 ZINC000096145842 559097530 /nfs/dbraw/zinc/09/75/30/559097530.db2.gz ZQNALAJSFGMUEA-ROUUACIJSA-N 0 3 423.579 2.037 40 0 HEABHN O=C(NCCN1CCCC1)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12 ZINC000096155077 559099347 /nfs/dbraw/zinc/09/93/47/559099347.db2.gz JCPNSXUUJHOJGQ-UHFFFAOYSA-N 0 3 407.503 2.469 40 0 HEABHN O=C(NCc1ccccn1)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096243855 559104896 /nfs/dbraw/zinc/10/48/96/559104896.db2.gz WCVRLMNSDNWUPO-OAQYLSRUSA-N 0 3 417.513 2.485 40 0 HEABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000585269900 559116188 /nfs/dbraw/zinc/11/61/88/559116188.db2.gz PKISHXGRBJBXDW-HSZRJFAPSA-N 0 3 422.533 2.252 40 0 HEABHN COc1ccc(CNC[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)cc1 ZINC000585285654 559121758 /nfs/dbraw/zinc/12/17/58/559121758.db2.gz RNUDMFOYZHMYFI-RBBKRZOGSA-N 0 3 418.921 2.005 40 0 HEABHN CCC(CC)N1CCN(C(=O)COC)C[C@@](O)(COc2cccc(F)c2F)C1 ZINC000585288043 559123175 /nfs/dbraw/zinc/12/31/75/559123175.db2.gz UWLMRBFAUVVTOY-HXUWFJFHSA-N 0 3 400.466 2.054 40 0 HEABHN CCOc1ccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585291006 559123534 /nfs/dbraw/zinc/12/35/34/559123534.db2.gz YYHYXCVLWQKFOO-UNMCSNQZSA-N 0 3 418.921 2.466 40 0 HEABHN COCCNC(=O)c1sc2nccnc2c1[C@@H]1CCCN(C2CCOCC2)C1 ZINC000257234929 568786181 /nfs/dbraw/zinc/78/61/81/568786181.db2.gz GVQNZYNGLUTMKZ-CQSZACIVSA-N 0 3 404.536 2.426 40 0 HEABHN CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)c1cccc(CN)c1 ZINC000257310889 568807459 /nfs/dbraw/zinc/80/74/59/568807459.db2.gz UHBGBVJVBVQIDY-UHFFFAOYSA-N 0 3 405.502 2.192 40 0 HEABHN Cc1ccc(CN2C[C@@H]3Cn4c(nn(Cc5ccc(C)cc5)c(=O)c4=O)[C@H]3C2)s1 ZINC000306125450 568888161 /nfs/dbraw/zinc/88/81/61/568888161.db2.gz CRFJFHMVYDEZMU-MJGOQNOKSA-N 0 3 408.527 2.361 40 0 HEABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)NCc5ccccc5)n4C[C@H]3C2)n1 ZINC000306127358 568890232 /nfs/dbraw/zinc/89/02/32/568890232.db2.gz FWRSIHHKEGEYJR-RBUKOAKNSA-N 0 3 402.502 2.216 40 0 HEABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccc(OC)cc5)n4C[C@H]3C2)cn1 ZINC000306141000 568902897 /nfs/dbraw/zinc/90/28/97/568902897.db2.gz VIOAYHMBZPQWRT-DLBZAZTESA-N 0 3 421.505 2.060 40 0 HEABHN Cc1ccc(CNCCN(Cc2cccc(C)c2)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000575421481 569025878 /nfs/dbraw/zinc/02/58/78/569025878.db2.gz QRJVBUXDSINKRT-VXKWHMMOSA-N 0 3 402.560 2.053 40 0 HEABHN C[C@@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699465 569346974 /nfs/dbraw/zinc/34/69/74/569346974.db2.gz GKJXCGGXJQJDDX-XLIONFOSSA-N 0 3 424.545 2.220 40 0 HEABHN CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)NC2CCN(C)CC2)C1 ZINC000019703493 569347458 /nfs/dbraw/zinc/34/74/58/569347458.db2.gz JENCWIPJRMDVJR-HSZRJFAPSA-N 0 3 410.518 2.333 40 0 HEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252516699 569388026 /nfs/dbraw/zinc/38/80/26/569388026.db2.gz VZNMCNOMUINIOL-QKNQBKEWSA-N 0 3 417.483 2.172 40 0 HEABHN CN(C)c1ccc(NC(=S)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCOCC2)cc1 ZINC000020503812 291205336 /nfs/dbraw/zinc/20/53/36/291205336.db2.gz IVPDLCMZPNGMEF-BBTUJRGHSA-N 0 3 417.623 2.082 40 0 biogenic,in-vitro HEABHN CCOC(=O)[C@H]1C[C@]23C=C[C@]1(OC)[C@H]1Oc4c5c(ccc4OC)C[C@H]2N(C)CC[C@]513 ZINC000096316402 291204562 /nfs/dbraw/zinc/20/45/62/291204562.db2.gz ONBDLKAADLMHFE-NXSPSLAJSA-N 0 3 411.498 2.479 40 0 biogenic,in-vitro HEABHN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)c1 ZINC000008253925 291211505 /nfs/dbraw/zinc/21/15/05/291211505.db2.gz HTHYRPLAJHTJSZ-CVAIRZPRSA-N 0 3 406.490 2.147 40 0 biogenic,in-vitro HEABHN Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000032399167 525494646 /nfs/dbraw/zinc/49/46/46/525494646.db2.gz RDVAEPUCDQEKME-UHFFFAOYSA-N 0 3 415.559 2.180 40 0 HEABHN O=C(Nc1cccc(O)c1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008254330 557778514 /nfs/dbraw/zinc/77/85/14/557778514.db2.gz QVFYBKSOGAHNBZ-SUMDDJOVSA-N 0 3 404.474 2.395 40 0 biogenic,in-vitro HEABHN C[C@@H](CN1CCCCC1)NC(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O ZINC000019750736 558270781 /nfs/dbraw/zinc/27/07/81/558270781.db2.gz BXOOCKGJIPPUHC-INIZCTEOSA-N 0 3 414.481 2.230 40 0 HEABHN CC[C@H](C(=O)NCCN1CCCCC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013715026 558578572 /nfs/dbraw/zinc/57/85/72/558578572.db2.gz HXTHIELCZMNIFP-QGZVFWFLSA-N 0 3 401.960 2.487 40 0 HEABHN COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)ccc1C ZINC000019214641 558849760 /nfs/dbraw/zinc/84/97/60/558849760.db2.gz NWQCNCNLIHEOKN-SFHVURJKSA-N 0 3 424.545 2.414 40 0 HEABHN COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)ccc1C ZINC000019214641 558849761 /nfs/dbraw/zinc/84/97/61/558849761.db2.gz NWQCNCNLIHEOKN-SFHVURJKSA-N 0 3 424.545 2.414 40 0 HEABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448319 558887428 /nfs/dbraw/zinc/88/74/28/558887428.db2.gz RGXDEQVYBUPWCS-GOSISDBHSA-N 0 3 420.510 2.201 40 0 HEABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448319 558887431 /nfs/dbraw/zinc/88/74/31/558887431.db2.gz RGXDEQVYBUPWCS-GOSISDBHSA-N 0 3 420.510 2.201 40 0 HEABHN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2cn(CC(N)=O)c3ccccc23)c1 ZINC000019552673 558916083 /nfs/dbraw/zinc/91/60/83/558916083.db2.gz LYFOJMJASORVKO-XXBNENTESA-N 0 3 424.476 2.384 40 0 HEABHN Cc1nn(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556468 558918855 /nfs/dbraw/zinc/91/88/55/558918855.db2.gz JANBSNMOHNSPTO-IBGZPJMESA-N 0 3 412.538 2.434 40 0 HEABHN Cc1nn(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556468 558918858 /nfs/dbraw/zinc/91/88/58/558918858.db2.gz JANBSNMOHNSPTO-IBGZPJMESA-N 0 3 412.538 2.434 40 0 HEABHN COc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570348 558929161 /nfs/dbraw/zinc/92/91/61/558929161.db2.gz UXUCBTYCRDQUMN-GOSISDBHSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccccc1C[N@H+]1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570348 558929165 /nfs/dbraw/zinc/92/91/65/558929165.db2.gz UXUCBTYCRDQUMN-GOSISDBHSA-N 0 3 422.529 2.453 40 0 HEABHN COc1cc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)cc(OC)c1O ZINC000073330532 558986017 /nfs/dbraw/zinc/98/60/17/558986017.db2.gz PLYMCEKNTUNNOM-GGBNCZTISA-N 0 3 403.431 2.207 40 0 HEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)c1 ZINC000585104244 559026840 /nfs/dbraw/zinc/02/68/40/559026840.db2.gz OQRHTKIJRVEBMO-NRFANRHFSA-N 0 3 418.534 2.172 40 0 HEABHN CN(C)c1ccc(CC(=O)N2CCC3(CO[C@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104579 559027244 /nfs/dbraw/zinc/02/72/44/559027244.db2.gz QNZZBFPVQGNVDE-YADHBBJMSA-N 0 3 415.578 2.150 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3ccccc3)CCO2)C1=O ZINC000585106627 559028941 /nfs/dbraw/zinc/02/89/41/559028941.db2.gz CZFKQQCFUBGHDH-RDGATRHJSA-N 0 3 421.541 2.014 40 0 HEABHN CCOC(=O)N1CCC(N2CCOC[C@@](O)(COc3ccc(F)c(C)c3)C2)CC1 ZINC000585283135 559120458 /nfs/dbraw/zinc/12/04/58/559120458.db2.gz QCHOGFYVMMYBIY-OAQYLSRUSA-N 0 3 410.486 2.197 40 0 HEABHN COc1cccc(CNC[C@@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@@H]2O)c1 ZINC000585284328 559121124 /nfs/dbraw/zinc/12/11/24/559121124.db2.gz JTIFHDLIHALDKA-PZJWPPBQSA-N 0 3 404.894 2.076 40 0 HEABHN CC(=O)N1CCN(CC2(O)CCCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284723 559121341 /nfs/dbraw/zinc/12/13/41/559121341.db2.gz ZFZOQXRYAPWVHJ-HSZRJFAPSA-N 0 3 422.541 2.493 40 0 HEABHN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585285081 559121481 /nfs/dbraw/zinc/12/14/81/559121481.db2.gz NWFWVAOHVSNQGN-ICSRJNTNSA-N 0 3 410.848 2.346 40 0 HEABHN CC(=O)N1CCN(CC2(O)CCCCC2)C[C@@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585286697 559122070 /nfs/dbraw/zinc/12/20/70/559122070.db2.gz HUURBTUOYKNPPH-QHCPKHFHSA-N 0 3 404.551 2.273 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CN2CCC(C(F)(F)F)CC2)C1 ZINC000585291575 559123820 /nfs/dbraw/zinc/12/38/20/559123820.db2.gz RWLZMYQUUXRMOZ-AEFFLSMTSA-N 0 3 420.859 2.091 40 0 HEABHN O[C@]1(CN2CCC(F)(F)CC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233168 559283893 /nfs/dbraw/zinc/28/38/93/559283893.db2.gz GOCLGIKTDXZOJM-NRFANRHFSA-N 0 3 409.521 2.187 40 0 HEABHN CCOCCOc1ccc(CN(C)C[C@]2(O)CCCN(c3ncccn3)C2)cc1 ZINC000257239736 559284034 /nfs/dbraw/zinc/28/40/34/559284034.db2.gz HQPIYEDOHXAPLF-JOCHJYFZSA-N 0 3 400.523 2.355 40 0 HEABHN CN1CCC(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 ZINC000219256385 568488653 /nfs/dbraw/zinc/48/86/53/568488653.db2.gz KCHRVKAQNRYMTC-UHFFFAOYSA-N 0 3 403.479 2.212 40 0 HEABHN COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCN(C)C)ccc2C)cc1 ZINC000224326227 568577907 /nfs/dbraw/zinc/57/79/07/568577907.db2.gz KKOZKLFKJNAHQO-UHFFFAOYSA-N 0 3 405.520 2.120 40 0 HEABHN Cc1cc(C(=O)N2CCC[C@@](O)(C[N@H+](C)Cc3ccc(F)cc3)CC2)[n-]c(=O)n1 ZINC000257252595 568791227 /nfs/dbraw/zinc/79/12/27/568791227.db2.gz JVIIVFKXJDFWQT-NRFANRHFSA-N 0 3 402.470 2.119 40 0 HEABHN Cc1cc(C(=O)N2CCC[C@@](O)(C[N@@H+](C)Cc3ccc(F)cc3)CC2)[n-]c(=O)n1 ZINC000257252595 568791228 /nfs/dbraw/zinc/79/12/28/568791228.db2.gz JVIIVFKXJDFWQT-NRFANRHFSA-N 0 3 402.470 2.119 40 0 HEABHN CC(C)[NH+]1CCC(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)CC1 ZINC000257319581 568810266 /nfs/dbraw/zinc/81/02/66/568810266.db2.gz VTCWFABXOXCLKV-VFNWGFHPSA-N 0 3 404.511 2.303 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306130060 568892356 /nfs/dbraw/zinc/89/23/56/568892356.db2.gz IVMIAHAQDVTOES-IRXDYDNUSA-N 0 3 404.474 2.238 40 0 HEABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccc3c(c1)OCO3)C[C@H]2c1cccnc1 ZINC000306130079 568892400 /nfs/dbraw/zinc/89/24/00/568892400.db2.gz IVVUCJFNOPQVCL-RDPSFJRHSA-N 0 3 421.497 2.417 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccccc2F)C1 ZINC000306130330 568892789 /nfs/dbraw/zinc/89/27/89/568892789.db2.gz JCUQHNBMVVFXIC-NRFANRHFSA-N 0 3 412.490 2.201 40 0 HEABHN CCn1cc(CN2C[C@H](c3cn(C(C)C)cn3)[C@]3(CCN(CCOC)C3=O)C2)cn1 ZINC000306131461 568893677 /nfs/dbraw/zinc/89/36/77/568893677.db2.gz KFHHDUKEZGUQSN-KNQAVFIVSA-N 0 3 414.554 2.145 40 0 HEABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3cccnc3)CC2)O1 ZINC000306141358 568903072 /nfs/dbraw/zinc/90/30/72/568903072.db2.gz VTAWNOJXILTURM-JOCHJYFZSA-N 0 3 408.546 2.405 40 0 HEABHN CC(C)(C)OC(=O)N[C@]1(CN)[C@@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193447 568927954 /nfs/dbraw/zinc/92/79/54/568927954.db2.gz UUVZOKGAQXAXDM-HEHGZKQESA-N 0 3 419.341 2.182 40 0 HEABHN CCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 ZINC000019699317 569346970 /nfs/dbraw/zinc/34/69/70/569346970.db2.gz HBBXRPIRZGEGJM-UHFFFAOYSA-N 0 3 412.534 2.017 40 0 HEABHN CC(=O)N1CCC(N2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(NC(=O)C(C)(C)C)c23)CC1 ZINC000008300418 291202629 /nfs/dbraw/zinc/20/26/29/291202629.db2.gz MAQOGIQYESNWDN-DLBZAZTESA-N 0 3 414.550 2.263 40 0 biogenic,in-vitro HEABHN O=C(NCc1ccccc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 ZINC000008299732 291212016 /nfs/dbraw/zinc/21/20/16/291212016.db2.gz NLBYNTMTPJRQBU-AQNXPRMDSA-N 0 3 409.534 2.067 40 0 biogenic,in-vitro HEABHN CN(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000032398812 521996535 /nfs/dbraw/zinc/99/65/35/521996535.db2.gz JJURZZYGWYPYIX-UHFFFAOYSA-N 0 3 401.532 2.115 40 0 HEABHN Cn1c(=O)c2ccc([C@@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000019743006 558263242 /nfs/dbraw/zinc/26/32/42/558263242.db2.gz BUXKPEHGVAARBH-QGZVFWFLSA-N 0 3 403.486 2.493 40 0 HEABHN C[C@H](CN1CCCCC1)NC(=O)c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000019750167 558270332 /nfs/dbraw/zinc/27/03/32/558270332.db2.gz KYIIUNAMBHFWAP-MRXNPFEDSA-N 0 3 414.481 2.230 40 0 HEABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(OC)cc1 ZINC000020636757 558396173 /nfs/dbraw/zinc/39/61/73/558396173.db2.gz UZWLBXWFISULRZ-WOJBJXKFSA-N 0 3 407.470 2.460 40 0 HEABHN COc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OCCN1CCOCC1 ZINC000036743628 558802510 /nfs/dbraw/zinc/80/25/10/558802510.db2.gz MFXJCMJTJJGBBX-DEOSSOPVSA-N 0 3 412.530 2.500 40 0 HEABHN Cc1cnc(C(=O)N2CCC[C@H]2CN2Cc3ccccc3OC[C@@H]2CN(C)C)cn1 ZINC000019238884 558857559 /nfs/dbraw/zinc/85/75/59/558857559.db2.gz XISZDQYKCTYDHA-PMACEKPBSA-N 0 3 409.534 2.214 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1CN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000019371940 558879218 /nfs/dbraw/zinc/87/92/18/558879218.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 0 3 416.529 2.497 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1CN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000019371940 558879219 /nfs/dbraw/zinc/87/92/19/558879219.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 0 3 416.529 2.497 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1C[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000019371940 558879220 /nfs/dbraw/zinc/87/92/20/558879220.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 0 3 416.529 2.497 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1C[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000019371940 558879222 /nfs/dbraw/zinc/87/92/22/558879222.db2.gz VGKQDFUSGYHHKB-LJQANCHMSA-N 0 3 416.529 2.497 40 0 HEABHN Cc1nn(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@@H+](C(C)C)C3)c(C)c1C ZINC000019556471 558918893 /nfs/dbraw/zinc/91/88/93/558918893.db2.gz JANBSNMOHNSPTO-LJQANCHMSA-N 0 3 412.538 2.434 40 0 HEABHN Cc1nn(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CC[N@H+](C(C)C)C3)c(C)c1C ZINC000019556471 558918894 /nfs/dbraw/zinc/91/88/94/558918894.db2.gz JANBSNMOHNSPTO-LJQANCHMSA-N 0 3 412.538 2.434 40 0 HEABHN Cc1oc(C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)cc1CN1CCOCC1 ZINC000019582463 558937292 /nfs/dbraw/zinc/93/72/92/558937292.db2.gz HNGMWCXXBBMBPE-FQEVSTJZSA-N 0 3 405.539 2.136 40 0 HEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O ZINC000019699844 558966735 /nfs/dbraw/zinc/96/67/35/558966735.db2.gz CXDKSNNPEPWULB-LJQANCHMSA-N 0 3 412.534 2.015 40 0 HEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585103081 559026401 /nfs/dbraw/zinc/02/64/01/559026401.db2.gz CIIRWZWYQWNSES-NQIIRXRSSA-N 0 3 418.534 2.172 40 0 HEABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)CCc1cncnc1)CC2 ZINC000585103248 559026561 /nfs/dbraw/zinc/02/65/61/559026561.db2.gz AWUKOVWDJZWHEU-NRFANRHFSA-N 0 3 409.534 2.334 40 0 HEABHN CCOC(=O)[C@@]12CN(Cc3cccc(C)n3)C[C@@H]1CN(C(=O)c1cnccn1)CCC2 ZINC000096056091 559094018 /nfs/dbraw/zinc/09/40/18/559094018.db2.gz KNAMOATXEQFDRG-JPYJTQIMSA-N 0 3 423.517 2.098 40 0 HEABHN CN1CCN(C[C@@H]2CO[C@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075628 559094519 /nfs/dbraw/zinc/09/45/19/559094519.db2.gz UWNXBPIFUKVYHA-DVECYGJZSA-N 0 3 408.546 2.494 40 0 HEABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)CC1CCCC1)CCC2 ZINC000096083071 559094906 /nfs/dbraw/zinc/09/49/06/559094906.db2.gz IZJRIYJNCZPTGE-OFNKIYASSA-N 0 3 415.582 2.129 40 0 HEABHN COc1cccc(CN2Cc3ccccc3[C@@]23CO[C@@H](C(=O)NCCN(C)C)C3)c1 ZINC000096143938 559096427 /nfs/dbraw/zinc/09/64/27/559096427.db2.gz JCOMOFLPPAQMMC-ISKFKSNPSA-N 0 3 409.530 2.373 40 0 HEABHN CN(C)C(=O)[C@@]12CN(Cc3cnn(C)c3)C[C@@H]1CN(C(=O)Nc1ccccc1)CCC2 ZINC000096251296 559105411 /nfs/dbraw/zinc/10/54/11/559105411.db2.gz DOOJHVZTQDIPMS-XXBNENTESA-N 0 3 424.549 2.254 40 0 HEABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)CC1 ZINC000585282647 559120164 /nfs/dbraw/zinc/12/01/64/559120164.db2.gz MBIYJJADGHTSBC-ICSRJNTNSA-N 0 3 412.914 2.137 40 0 HEABHN O=C1CO[C@H]2CN(C[C@@]3(O)CC[C@H](c4ccccc4)CC3)C[C@@H]2N1C1CCOCC1 ZINC000585283218 559120566 /nfs/dbraw/zinc/12/05/66/559120566.db2.gz LZPAOTFYOGMVDN-NRTAZHGZSA-N 0 3 414.546 2.166 40 0 HEABHN CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)CC1 ZINC000585285894 559121705 /nfs/dbraw/zinc/12/17/05/559121705.db2.gz DPIOAVVSJGAZEG-REWPJTCUSA-N 0 3 420.550 2.409 40 0 HEABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(C(F)(F)F)cc2)C1 ZINC000585286239 559121787 /nfs/dbraw/zinc/12/17/87/559121787.db2.gz YCHPVOGSCRFZPT-AZUAARDMSA-N 0 3 408.420 2.433 40 0 HEABHN CN(CCc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O ZINC000585286177 559121817 /nfs/dbraw/zinc/12/18/17/559121817.db2.gz WNZSDSBZCFHHMA-RBBKRZOGSA-N 0 3 402.922 2.452 40 0 HEABHN O=C(c1ccsc1)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC000097952841 559124981 /nfs/dbraw/zinc/12/49/81/559124981.db2.gz YUNYXTGZOSTXEW-JOCHJYFZSA-N 0 3 410.543 2.388 40 0 HEABHN NC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCCN1CCCC1 ZINC000257232055 559283942 /nfs/dbraw/zinc/28/39/42/559283942.db2.gz GJGHYJGNMQBSSA-HSZRJFAPSA-N 0 3 422.573 2.333 40 0 HEABHN CCc1ccccc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000010111539 560763841 /nfs/dbraw/zinc/76/38/41/560763841.db2.gz UQYAGIKFWJBBQN-UHFFFAOYSA-N 0 3 403.548 2.431 40 0 HEABHN COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000019593955 560875074 /nfs/dbraw/zinc/87/50/74/560875074.db2.gz IFUYWITZQNSCKR-HXUWFJFHSA-N 0 3 402.518 2.498 40 0 HEABHN C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220441671 568505537 /nfs/dbraw/zinc/50/55/37/568505537.db2.gz RQVWQOOVXIDTIZ-LLVKDONJSA-N 0 3 408.351 2.358 40 0 HEABHN [O-]c1cccnc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069862 568747125 /nfs/dbraw/zinc/74/71/25/568747125.db2.gz XODVTMLTGWOKQK-JOCHJYFZSA-N 0 3 411.506 2.090 40 0 HEABHN [O-]c1cccnc1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12 ZINC000248069862 568747128 /nfs/dbraw/zinc/74/71/28/568747128.db2.gz XODVTMLTGWOKQK-JOCHJYFZSA-N 0 3 411.506 2.090 40 0 HEABHN Cn1cnc(S(=O)(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N[C@@H]3Cc2ccccc2)c1 ZINC000257230460 568784857 /nfs/dbraw/zinc/78/48/57/568784857.db2.gz GCLZIPWIOGDIGU-KYHREEPGSA-N 0 3 400.548 2.325 40 0 HEABHN Cc1cccc(CN2C[C@@H]3Cn4c(nnc4C(=O)NCc4ccccc4)C[C@@H]3C2)n1 ZINC000306127359 568890343 /nfs/dbraw/zinc/89/03/43/568890343.db2.gz FWRSIHHKEGEYJR-RTBURBONSA-N 0 3 402.502 2.216 40 0 HEABHN O=C(NCc1ccncc1)c1nnc2n1CC1(CCN(Cc3ccccc3)CC1)OC2 ZINC000306137978 568899812 /nfs/dbraw/zinc/89/98/12/568899812.db2.gz RLRZGXQIVJZOGZ-UHFFFAOYSA-N 0 3 418.501 2.168 40 0 HEABHN CN1Cc2nnc(C(=O)NC3CCCCC3)n2C[C@@]12CCN(Cc1ccsc1)C2 ZINC000306141631 568903015 /nfs/dbraw/zinc/90/30/15/568903015.db2.gz WCMRHCGXGNMUBJ-NRFANRHFSA-N 0 3 414.579 2.492 40 0 HEABHN CC(C)(C)OC(=O)N[C@@]1(CN)[C@H](c2ccc(Br)cc2)[C@@H]1S(C)(=O)=O ZINC000218193246 568927825 /nfs/dbraw/zinc/92/78/25/568927825.db2.gz UUVZOKGAQXAXDM-WWGRRREGSA-N 0 3 419.341 2.182 40 0 HEABHN CCc1ccc(S(=O)(=O)N(CCCN(CC)CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000575421049 569025794 /nfs/dbraw/zinc/02/57/94/569025794.db2.gz MQCVCXJMAFGPOJ-SFHVURJKSA-N 0 3 416.609 2.159 40 0 HEABHN O=C(C1CC1)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 ZINC000019699968 569347091 /nfs/dbraw/zinc/34/70/91/569347091.db2.gz FZYMFGZSHVVHBM-HXUWFJFHSA-N 0 3 424.545 2.017 40 0 HEABHN Cn1c(=O)c2ccc([C@H]3CCCN(Cc4ccc5[nH]ccc5c4)C3)nc2n(C)c1=O ZINC000019743008 558263233 /nfs/dbraw/zinc/26/32/33/558263233.db2.gz BUXKPEHGVAARBH-KRWDZBQOSA-N 0 3 403.486 2.493 40 0 HEABHN COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(Cc2ccncc2)CC1 ZINC000019743676 558264184 /nfs/dbraw/zinc/26/41/84/558264184.db2.gz TVFWNPWAOUEOEE-UHFFFAOYSA-N 0 3 408.506 2.075 40 0 HEABHN Cc1csc([C@H](Cc2cccs2)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000019240027 558858663 /nfs/dbraw/zinc/85/86/63/558858663.db2.gz HPGFJRATKNEXLP-HOCLYGCPSA-N 0 3 406.577 2.323 40 0 HEABHN Cn1cc(-c2cc(C(=O)N3C4CCC3CC(O)(c3ccc5c(c3)OCO5)C4)no2)cn1 ZINC000019290754 558863189 /nfs/dbraw/zinc/86/31/89/558863189.db2.gz YQYPIVYFEWATLR-XVQYUUQNSA-N 0 3 422.441 2.459 40 0 HEABHN OCCn1ncc(-c2ccnc(N3CCCC3)n2)c1[C@H]1CCCN1C1CCOCC1 ZINC000019404192 558884420 /nfs/dbraw/zinc/88/44/20/558884420.db2.gz BECVHGKLUADVEO-HXUWFJFHSA-N 0 3 412.538 2.249 40 0 HEABHN CCN1CCN(C2CCN(C(=O)CCCc3nc(-c4ccccn4)no3)CC2)CC1 ZINC000019528124 558909226 /nfs/dbraw/zinc/90/92/26/558909226.db2.gz LBQSEFGGSXXVPW-UHFFFAOYSA-N 0 3 412.538 2.083 40 0 HEABHN COc1ccccc1C[N@@H+]1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570072 558928905 /nfs/dbraw/zinc/92/89/05/558928905.db2.gz BWOXSLARLVLJHP-GOSISDBHSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccccc1C[N@H+]1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1 ZINC000019570072 558928907 /nfs/dbraw/zinc/92/89/07/558928907.db2.gz BWOXSLARLVLJHP-GOSISDBHSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccc(NC(=O)[C@@H]2CN(C)C[C@]23CCc2ccccc2C(=O)N3)cc1OC ZINC000072334475 558935707 /nfs/dbraw/zinc/93/57/07/558935707.db2.gz SNXPNSGQOUJGLB-FDDCHVKYSA-N 0 3 409.486 2.319 40 0 HEABHN CN(C)CC(=O)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[nH]c(=O)c2C1 ZINC000019581792 558937165 /nfs/dbraw/zinc/93/71/65/558937165.db2.gz KUACYYWDXIITFM-KRWDZBQOSA-N 0 3 401.536 2.027 40 0 HEABHN CN1CCN(c2nccc(CN3C[C@H]4[C@H](CC[C@]4(O)c4ccc(F)cc4)C3)n2)CC1 ZINC000072340412 558939110 /nfs/dbraw/zinc/93/91/10/558939110.db2.gz BRNJLPNTXYLCOG-FHZYATBESA-N 0 3 411.525 2.097 40 0 HEABHN C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCN1CCCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342634 558940678 /nfs/dbraw/zinc/94/06/78/558940678.db2.gz HRJRKHBJKIHOJX-GFHCSAFJSA-N 0 3 411.550 2.362 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104835 559027263 /nfs/dbraw/zinc/02/72/63/559027263.db2.gz UCSCGMGEPVRNBP-CTNGQTDRSA-N 0 3 402.535 2.228 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3ccccc3)CCO2)C1=O ZINC000585107558 559028062 /nfs/dbraw/zinc/02/80/62/559028062.db2.gz ZPAIZKYESXDEAY-ZJSXRUAMSA-N 0 3 407.514 2.085 40 0 HEABHN COC(=O)[C@]1(C)C[C@@H](N(C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113248 559031249 /nfs/dbraw/zinc/03/12/49/559031249.db2.gz TWLBDFAUOIGKCB-MBSDFSHPSA-N 0 3 411.502 2.054 40 0 HEABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262586 559111157 /nfs/dbraw/zinc/11/11/57/559111157.db2.gz XGDFXDPKNHLWTC-OAQYLSRUSA-N 0 3 400.519 2.269 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(C(F)(F)F)CC2)C1 ZINC000585282974 559120353 /nfs/dbraw/zinc/12/03/53/559120353.db2.gz AAJKDGCAFTVVGS-AZUAARDMSA-N 0 3 414.468 2.218 40 0 HEABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1cc(F)c(F)c(F)c1 ZINC000585284180 559120795 /nfs/dbraw/zinc/12/07/95/559120795.db2.gz VPAFYYVURAORSD-PXNSSMCTSA-N 0 3 403.441 2.366 40 0 HEABHN CN(CCc1ccccc1)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000585286141 559121837 /nfs/dbraw/zinc/12/18/37/559121837.db2.gz WIRCKUNECOZUOQ-GMAHTHKFSA-N 0 3 416.949 2.381 40 0 HEABHN CCOCCOc1ccc(CN(C)C[C@]2(O)CCCN(c3cnccn3)C2)cc1 ZINC000257308760 559286271 /nfs/dbraw/zinc/28/62/71/559286271.db2.gz TXZLAFHIWDVSLD-JOCHJYFZSA-N 0 3 400.523 2.355 40 0 HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382194 568489421 /nfs/dbraw/zinc/48/94/21/568489421.db2.gz JULXYSUPIXXGLL-GXRSIYKFSA-N 0 3 408.477 2.368 40 0 biogenic,in-vitro HEABHN COCCc1nccc(C[C@H]2[C@H](NCc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382275 568489556 /nfs/dbraw/zinc/48/95/56/568489556.db2.gz MTAANMMBWGONBI-HNBVOPMISA-N 0 3 405.926 2.009 40 0 biogenic,in-vitro HEABHN O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000257236641 568786637 /nfs/dbraw/zinc/78/66/37/568786637.db2.gz HDAYSHJHOBIQIR-HSZRJFAPSA-N 0 3 409.534 2.224 40 0 HEABHN COCCOc1ccc(C(=O)N2[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]2c2ccccc2)cc1 ZINC000257247012 568789560 /nfs/dbraw/zinc/78/95/60/568789560.db2.gz IWYPKCPFPJKSBQ-HKBOAZHASA-N 0 3 411.502 2.083 40 0 HEABHN CC(=O)Nc1cc(NC(=O)CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1C ZINC000257250180 568790261 /nfs/dbraw/zinc/79/02/61/568790261.db2.gz JLJRRNPMOPHZBU-HXUWFJFHSA-N 0 3 424.492 2.060 40 0 HEABHN O=C(CCCNc1ncccn1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257297626 568803822 /nfs/dbraw/zinc/80/38/22/568803822.db2.gz RIECRMCLKGCMDK-LJQANCHMSA-N 0 3 411.497 2.143 40 0 HEABHN Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1 ZINC000257324498 568811718 /nfs/dbraw/zinc/81/17/18/568811718.db2.gz WOXVWHIAAAEVMA-XMMPIXPASA-N 0 3 423.561 2.484 40 0 HEABHN CNC(=O)c1cccc([C@H]2CNCCN2CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000257340016 568815956 /nfs/dbraw/zinc/81/59/56/568815956.db2.gz ZEDGHSZCJWXKNL-JOCHJYFZSA-N 0 3 421.545 2.231 40 0 HEABHN CCn1cc(CN2C[C@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@@H]3C2)cn1 ZINC000306138372 568900448 /nfs/dbraw/zinc/90/04/48/568900448.db2.gz RWBDCQSKOVOPAW-CVEARBPZSA-N 0 3 409.469 2.190 40 0 HEABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4cnn(C)c4)CC2)CN(C)C3)cc1 ZINC000306140857 568902658 /nfs/dbraw/zinc/90/26/58/568902658.db2.gz VFLGJNHTOMLWGR-UHFFFAOYSA-N 0 3 407.522 2.124 40 0 HEABHN COC(=O)c1ccc(OC)c(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c1 ZINC000328980745 568970960 /nfs/dbraw/zinc/97/09/60/568970960.db2.gz GNZWTVYRPSTLFU-UHFFFAOYSA-N 0 3 421.501 2.500 40 0 HEABHN Cc1cnc(C(=O)N2CCC[C@@H]2CN2Cc3ccccc3OC[C@H]2CN(C)C)cn1 ZINC000248150742 569316492 /nfs/dbraw/zinc/31/64/92/569316492.db2.gz XISZDQYKCTYDHA-WOJBJXKFSA-N 0 3 409.534 2.214 40 0 HEABHN CCC(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019700717 569347228 /nfs/dbraw/zinc/34/72/28/569347228.db2.gz AGVAUTACODRSIG-UHFFFAOYSA-N 0 3 412.534 2.222 40 0 HEABHN CN1CCN(C(=O)[C@@H]2CCC[C@@H](NCc3cccc(Cl)c3)CN(C)C(=O)C2)CC1 ZINC000096113391 291205473 /nfs/dbraw/zinc/20/54/73/291205473.db2.gz BWVZQLAPJLJYQZ-UYAOXDASSA-N 0 3 420.985 2.221 40 0 biogenic,in-vitro HEABHN c1c(CC2(NC3CCOCC3)COC2)noc1CN1CCN(c2ccccc2)CC1 ZINC000067898455 291213930 /nfs/dbraw/zinc/21/39/30/291213930.db2.gz BQZUOBBKLWRUHD-UHFFFAOYSA-N 0 3 412.534 2.077 40 0 biogenic,in-vitro HEABHN COCc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396090 523250834 /nfs/dbraw/zinc/25/08/34/523250834.db2.gz GUXCMGCAAWSBCC-UHFFFAOYSA-N 0 3 412.881 2.468 40 0 HEABHN Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CCN[C@H]1CCS(=O)(=O)C1 ZINC000019719676 558258136 /nfs/dbraw/zinc/25/81/36/558258136.db2.gz KQKNUZDLLGALKM-SFHVURJKSA-N 0 3 413.547 2.438 40 0 HEABHN CN(C)CCN1c2ccccc2C(=O)N[C@@]2(C)CN(Cc3ccccc3)C[C@H]2C1=O ZINC000012231865 558358053 /nfs/dbraw/zinc/35/80/53/558358053.db2.gz LMUGFCMEFJWEFP-RDPSFJRHSA-N 0 3 406.530 2.215 40 0 HEABHN O=c1[nH]c2ccc(S(=O)(=O)NC[C@H]3CCCN(Cc4ccccc4)C3)cc2[nH]1 ZINC000012239030 558359661 /nfs/dbraw/zinc/35/96/61/558359661.db2.gz SSTLQVKLPHIXDI-MRXNPFEDSA-N 0 3 400.504 2.047 40 0 HEABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000022516400 558493977 /nfs/dbraw/zinc/49/39/77/558493977.db2.gz BKHIVZKVNQTGAL-UHFFFAOYSA-N 0 3 422.378 2.213 40 0 HEABHN CN(C)CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000030847246 558739353 /nfs/dbraw/zinc/73/93/53/558739353.db2.gz ZLRBCKIVCCGYIW-UHFFFAOYSA-N 0 3 422.378 2.213 40 0 HEABHN NC(=O)[C@H]1CCCN(Cc2c3nccnc3[nH]c2C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000019404238 558884309 /nfs/dbraw/zinc/88/43/09/558884309.db2.gz FLGIFGGADWBSHC-KRWDZBQOSA-N 0 3 424.549 2.161 40 0 HEABHN COc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555210 558918139 /nfs/dbraw/zinc/91/81/39/558918139.db2.gz MHHUIOSUSOPUIY-SFHVURJKSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccc(C[N@H+]2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1 ZINC000019555210 558918143 /nfs/dbraw/zinc/91/81/43/558918143.db2.gz MHHUIOSUSOPUIY-SFHVURJKSA-N 0 3 422.529 2.453 40 0 HEABHN CN(C)C(=O)[C@H]1CN(CCOc2ccc(F)cc2)C[C@@]12COc1ccccc1C2=O ZINC000019581374 558936880 /nfs/dbraw/zinc/93/68/80/558936880.db2.gz MSXGSEOEVJUTPV-AUSIDOKSSA-N 0 3 412.461 2.486 40 0 HEABHN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCN1C1CCCCC1 ZINC000019660071 558951294 /nfs/dbraw/zinc/95/12/94/558951294.db2.gz TWIRRYVYPVESFF-FQEVSTJZSA-N 0 3 405.564 2.494 40 0 HEABHN COc1cccc(NC(=O)C(=O)C(C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1 ZINC000073274851 558986121 /nfs/dbraw/zinc/98/61/21/558986121.db2.gz DIYOZQSDQNTJCS-INIZCTEOSA-N 0 3 413.817 2.466 40 0 HEABHN CN1CCN(C[C@H]2CO[C@@]3(C2)CCCN(C(=O)c2cccc4cccnc42)C3)CC1 ZINC000096075625 559094527 /nfs/dbraw/zinc/09/45/27/559094527.db2.gz UWNXBPIFUKVYHA-YADARESESA-N 0 3 408.546 2.494 40 0 HEABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCO)c(OC)c1 ZINC000585269598 559115211 /nfs/dbraw/zinc/11/52/11/559115211.db2.gz AKLYZSDYZRHMOK-SFHVURJKSA-N 0 3 405.491 2.337 40 0 HEABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585284984 559121434 /nfs/dbraw/zinc/12/14/34/559121434.db2.gz MUCHMMQEYYFNAG-PZJWPPBQSA-N 0 3 422.447 2.362 40 0 HEABHN COCCOc1cc(CN(C)C[C@@]2(O)CCN(c3ccccn3)C2)ccc1OC ZINC000257295499 559285738 /nfs/dbraw/zinc/28/57/38/559285738.db2.gz QYOPSYJBOYNZMQ-QFIPXVFZSA-N 0 3 401.507 2.189 40 0 HEABHN Cc1cccc2cc(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000004133478 560600546 /nfs/dbraw/zinc/60/05/46/560600546.db2.gz ZGBOOLNXGGDBQB-SFHVURJKSA-N 0 3 402.564 2.254 40 0 HEABHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H](O)CN1C(=O)Nc1ccccc1 ZINC000004986880 560619275 /nfs/dbraw/zinc/61/92/75/560619275.db2.gz GHVBHXBDUNEJDP-FGZHOGPDSA-N 0 3 422.529 2.435 40 0 HEABHN CCn1c(SCCN2CCCC2)nnc1[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000005001525 560620128 /nfs/dbraw/zinc/62/01/28/560620128.db2.gz HYOXXMHTZLVUQO-SJORKVTESA-N 0 3 407.584 2.371 40 0 HEABHN COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000019593953 560875121 /nfs/dbraw/zinc/87/51/21/560875121.db2.gz IFUYWITZQNSCKR-FQEVSTJZSA-N 0 3 402.518 2.498 40 0 HEABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(CN)c3)C2)c2cnccc2n1 ZINC000257236463 568786508 /nfs/dbraw/zinc/78/65/08/568786508.db2.gz HCIHCPWEWAKHPR-QHCPKHFHSA-N 0 3 405.502 2.110 40 0 HEABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2sc(N)nc2C)CC1 ZINC000257338516 568815605 /nfs/dbraw/zinc/81/56/05/568815605.db2.gz YXUJNMZNGHJTEM-FQEVSTJZSA-N 0 3 403.552 2.308 40 0 HEABHN CN(C)CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(CC(N)=O)CC[C@H]3O[C@@H]21 ZINC000257342246 568816866 /nfs/dbraw/zinc/81/68/66/568816866.db2.gz ZNTJLMKBQDQGGF-FLTJSSMESA-N 0 3 417.550 2.051 40 0 HEABHN CN(C)C(=O)NC[C@H]1N(C(=O)Cc2cccc(F)c2)CCCC12CCN(C)CC2 ZINC000306130047 568892420 /nfs/dbraw/zinc/89/24/20/568892420.db2.gz IUZKWSCNJYVACE-LJQANCHMSA-N 0 3 404.530 2.342 40 0 HEABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccc3c(c1)OCO3)C[C@@H]2c1cccnc1 ZINC000306130078 568892531 /nfs/dbraw/zinc/89/25/31/568892531.db2.gz IVVUCJFNOPQVCL-HYBUGGRVSA-N 0 3 421.497 2.417 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccnc4)C[C@H]2C3)cc1 ZINC000306130059 568892570 /nfs/dbraw/zinc/89/25/70/568892570.db2.gz IVMIAHAQDVTOES-IAGOWNOFSA-N 0 3 404.474 2.238 40 0 HEABHN CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699394 569346968 /nfs/dbraw/zinc/34/69/68/569346968.db2.gz RPVNQTLOXDWJGS-IBGZPJMESA-N 0 3 412.534 2.364 40 0 HEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)n1 ZINC000019709645 569348081 /nfs/dbraw/zinc/34/80/81/569348081.db2.gz BHSMUGATMXUZMV-OAHLLOKOSA-N 0 3 401.486 2.186 40 0 HEABHN CN1C[C@H](NCc2ccc(F)cc2)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O ZINC000096113493 291205511 /nfs/dbraw/zinc/20/55/11/291205511.db2.gz NYRBMHCRJPTIDT-YLJYHZDGSA-N 0 3 405.514 2.228 40 0 biogenic,in-vitro HEABHN CCN(CC)CCN(CC(=O)N1CCCCC1)C(=O)c1ccc(NC(C)=O)cc1 ZINC000006311436 557698884 /nfs/dbraw/zinc/69/88/84/557698884.db2.gz STXAMIWYHPHNNJ-UHFFFAOYSA-N 0 3 402.539 2.442 40 0 HEABHN Cn1c2ncn(CCN[C@H](c3ccccc3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O ZINC000008667325 557799478 /nfs/dbraw/zinc/79/94/78/557799478.db2.gz QQBPMNIYGSXMML-GOSISDBHSA-N 0 3 423.904 2.466 40 0 HEABHN CN(C)c1ncccc1CN1CC[C@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761760 558276813 /nfs/dbraw/zinc/27/68/13/558276813.db2.gz GCDGBTZAGLUWSL-KRWDZBQOSA-N 0 3 419.529 2.407 40 0 HEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(F)cc1 ZINC000020674728 558399311 /nfs/dbraw/zinc/39/93/11/558399311.db2.gz MXCAJKXVLWKSTG-PMACEKPBSA-N 0 3 424.476 2.354 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1N1CCCC1=O ZINC000038755138 558814468 /nfs/dbraw/zinc/81/44/68/558814468.db2.gz JBMZRJQEPQUBFU-UHFFFAOYSA-N 0 3 409.552 2.222 40 0 HEABHN CN1CCC(N(C[C@H]2CCCO2)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)CC1 ZINC000019083853 558840626 /nfs/dbraw/zinc/84/06/26/558840626.db2.gz AJMNEBLBQMNZAB-MRXNPFEDSA-N 0 3 400.527 2.137 40 0 HEABHN Cc1ccc(C2(CN3CCC(NC(=O)CN4C(=O)CSC4=O)CC3)CC2)cc1 ZINC000019208373 558847612 /nfs/dbraw/zinc/84/76/12/558847612.db2.gz ABNVHOMYVTYNTJ-UHFFFAOYSA-N 0 3 401.532 2.303 40 0 HEABHN CC(C)NC(=O)[C@H]1CN(Cc2cccs2)C[C@@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450174 558888619 /nfs/dbraw/zinc/88/86/19/558888619.db2.gz XDEXGQALJQJWOC-ROUUACIJSA-N 0 3 415.563 2.115 40 0 HEABHN CC(C)n1nccc1NC(=O)CN1CC2(CCN(C)CC2)Oc2ccccc2C1=O ZINC000019454605 558891493 /nfs/dbraw/zinc/89/14/93/558891493.db2.gz HUJZJPVXVUPUFM-UHFFFAOYSA-N 0 3 411.506 2.402 40 0 HEABHN C[C@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000019496539 558895414 /nfs/dbraw/zinc/89/54/14/558895414.db2.gz SICLQQZOPMUEEB-DOTOQJQBSA-N 0 3 422.595 2.360 40 0 HEABHN CC1CCN(CC(=O)NC2CCN(Cc3cc(-c4ccccn4)nn3C)CC2)CC1 ZINC000019496883 558895698 /nfs/dbraw/zinc/89/56/98/558895698.db2.gz GGBXNUJBNLOXMJ-UHFFFAOYSA-N 0 3 410.566 2.295 40 0 HEABHN CCCc1nn(CC(=O)NC[C@H]2CCCN2CC)c(=O)c2cc3ccsc3n21 ZINC000072335267 558936154 /nfs/dbraw/zinc/93/61/54/558936154.db2.gz QMMCXOVHOOJYIW-OAHLLOKOSA-N 0 3 401.536 2.264 40 0 HEABHN C[C@]12CC[C@H](C[C@@H]1C(=O)NCCN1CCCCC1)[C@]1(C2)NC(=O)c2cccnc2N1 ZINC000072342635 558940686 /nfs/dbraw/zinc/94/06/86/558940686.db2.gz HRJRKHBJKIHOJX-ZDZLMVPKSA-N 0 3 411.550 2.362 40 0 HEABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019590245 558940958 /nfs/dbraw/zinc/94/09/58/558940958.db2.gz GSQZYCWWFSZOBN-CQSZACIVSA-N 0 3 400.454 2.094 40 0 HEABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[n-]c(=O)c2C1 ZINC000019590245 558940959 /nfs/dbraw/zinc/94/09/59/558940959.db2.gz GSQZYCWWFSZOBN-CQSZACIVSA-N 0 3 400.454 2.094 40 0 HEABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1cc(OC)no1)CC2 ZINC000585103851 559025756 /nfs/dbraw/zinc/02/57/56/559025756.db2.gz RRESNEMUPCHAAZ-KRWDZBQOSA-N 0 3 400.479 2.222 40 0 HEABHN Cn1cc(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCc3ccccn3)C2)c(C(F)F)n1 ZINC000585102670 559026305 /nfs/dbraw/zinc/02/63/05/559026305.db2.gz FQDKUJYBIKAQRB-YCRPNKLZSA-N 0 3 419.476 2.363 40 0 HEABHN CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1=O ZINC000585107277 559027749 /nfs/dbraw/zinc/02/77/49/559027749.db2.gz SDZNIGIXIUDJQT-KNQAVFIVSA-N 0 3 413.543 2.147 40 0 HEABHN CC[C@H](CO)NC(=O)c1ncn2c1nccc2C1CCN(Cc2ccncc2)CC1 ZINC000096155747 559099863 /nfs/dbraw/zinc/09/98/63/559099863.db2.gz BJTGWFKFWHMXMV-GOSISDBHSA-N 0 3 408.506 2.005 40 0 HEABHN CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262582 559111198 /nfs/dbraw/zinc/11/11/98/559111198.db2.gz XGDFXDPKNHLWTC-NRFANRHFSA-N 0 3 400.519 2.269 40 0 HEABHN O=C(c1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2cc(F)cc(F)c2)C1 ZINC000585284331 559121207 /nfs/dbraw/zinc/12/12/07/559121207.db2.gz JVXGWBLHIAFRQO-AZUAARDMSA-N 0 3 410.848 2.346 40 0 HEABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(C(F)(F)F)c2)C1 ZINC000585285707 559121659 /nfs/dbraw/zinc/12/16/59/559121659.db2.gz SGNZANADOJNVAK-AZUAARDMSA-N 0 3 408.420 2.433 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2ccc(Cl)cc2)[C@@H](O)C1 ZINC000585289463 559122366 /nfs/dbraw/zinc/12/23/66/559122366.db2.gz HBMXIWWNHROCNZ-UNMCSNQZSA-N 0 3 402.922 2.387 40 0 HEABHN O=C1C2C3CCC(O3)C2C(=O)N1c1cccc(Cn2cc(Br)cn2)c1 ZINC000101114512 559163272 /nfs/dbraw/zinc/16/32/72/559163272.db2.gz JGCZEPGZXAWPFL-YHUYYLMFSA-N 0 3 402.248 2.361 40 0 HEABHN COc1ccc(CN2CC3(C2)CN(CCc2ccccc2)C[C@@H]2C[C@@H](O)CN23)cc1 ZINC000514289514 560032497 /nfs/dbraw/zinc/03/24/97/560032497.db2.gz MZPKXMPKFSUIOE-XZOQPEGZSA-N 0 3 407.558 2.243 40 0 biogenic,in-vitro HEABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000004160480 560601446 /nfs/dbraw/zinc/60/14/46/560601446.db2.gz OBIJVPVTNJHTDC-UHFFFAOYSA-N 0 3 404.536 2.295 40 0 HEABHN COCCc1nccc(C[C@H]2[C@H](NCc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382574 568489574 /nfs/dbraw/zinc/48/95/74/568489574.db2.gz SFQWZMLGGXAQEC-UAFMIMERSA-N 0 3 405.926 2.009 40 0 biogenic,in-vitro HEABHN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCN(C)CC2)cc1OC ZINC000224793838 568597083 /nfs/dbraw/zinc/59/70/83/568597083.db2.gz LJAFJUHFTWGDLZ-JXAWBTAJSA-N 0 3 413.474 2.278 40 0 HEABHN CC(=O)Nc1cc(NC(=O)CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1C ZINC000257250179 568790284 /nfs/dbraw/zinc/79/02/84/568790284.db2.gz JLJRRNPMOPHZBU-FQEVSTJZSA-N 0 3 424.492 2.060 40 0 HEABHN CN(C)c1cc(CN(C)S(=O)(=O)CCCc2ccccc2)nc([C@H]2CCCN2)n1 ZINC000019760132 568870534 /nfs/dbraw/zinc/87/05/34/568870534.db2.gz CXHNGVZUZCZJNN-LJQANCHMSA-N 0 3 417.579 2.362 40 0 HEABHN Cc1ccc(CN2C[C@@H]3c4nn(Cc5ccc(C)cc5)c(=O)c(=O)n4C[C@@H]3C2)s1 ZINC000306125448 568888270 /nfs/dbraw/zinc/88/82/70/568888270.db2.gz CRFJFHMVYDEZMU-HKUYNNGSSA-N 0 3 408.527 2.361 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306128197 568891005 /nfs/dbraw/zinc/89/10/05/568891005.db2.gz GTYREGIMVJILPN-OAQYLSRUSA-N 0 3 412.490 2.201 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2cccc(F)c2)C1 ZINC000306131412 568893613 /nfs/dbraw/zinc/89/36/13/568893613.db2.gz KDWABVXMLRJXSL-NRFANRHFSA-N 0 3 412.490 2.201 40 0 HEABHN COc1cccc(CN2CC[C@]3(CCn4c3nn(Cc3cccs3)c(=O)c4=O)C2)c1 ZINC000306136862 568898788 /nfs/dbraw/zinc/89/87/88/568898788.db2.gz QFFQAUZELUTHQM-QFIPXVFZSA-N 0 3 424.526 2.071 40 0 HEABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C ZINC000575422717 569026249 /nfs/dbraw/zinc/02/62/49/569026249.db2.gz CCLIGGKKEZQZSG-GOSISDBHSA-N 0 3 416.609 2.213 40 0 HEABHN CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)NC2CCN(C)CC2)C1 ZINC000019703494 569347491 /nfs/dbraw/zinc/34/74/91/569347491.db2.gz JENCWIPJRMDVJR-QHCPKHFHSA-N 0 3 410.518 2.333 40 0 HEABHN Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000008635319 291210968 /nfs/dbraw/zinc/21/09/68/291210968.db2.gz JOSYROTUUZLKCK-ZCNNSNEGSA-N 0 3 409.534 2.307 40 0 biogenic,in-vitro HEABHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCN1CCCCCC1 ZINC000408703527 557728677 /nfs/dbraw/zinc/72/86/77/557728677.db2.gz RYNVNPCMWQPXJD-UHFFFAOYSA-N 0 3 423.579 2.476 40 0 HEABHN Cn1nccc1CN1CC[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019762699 558277145 /nfs/dbraw/zinc/27/71/45/558277145.db2.gz KYUHJSOSAARTNL-QGZVFWFLSA-N 0 3 405.502 2.430 40 0 HEABHN CN(C)CCNC(=O)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000012145898 558337378 /nfs/dbraw/zinc/33/73/78/558337378.db2.gz ZDAWTWUKUAWYIJ-UHFFFAOYSA-N 0 3 409.515 2.241 40 0 HEABHN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3CN3CCCCC3)cc2[nH]1 ZINC000012239534 558360187 /nfs/dbraw/zinc/36/01/87/558360187.db2.gz KWGSNMDBEZRJFN-UHFFFAOYSA-N 0 3 400.504 2.321 40 0 HEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(OC)cc1 ZINC000020636765 558396118 /nfs/dbraw/zinc/39/61/18/558396118.db2.gz UZWLBXWFISULRZ-PMACEKPBSA-N 0 3 407.470 2.460 40 0 HEABHN CC[C@@H](C(=O)NCCN1CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712883 558576937 /nfs/dbraw/zinc/57/69/37/558576937.db2.gz ZDIGEYMHOSQIGZ-KRWDZBQOSA-N 0 3 401.960 2.487 40 0 HEABHN CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2CN2CCCCC2)CC1 ZINC000030552281 558732610 /nfs/dbraw/zinc/73/26/10/558732610.db2.gz HJCLJFYDCWHLOU-UHFFFAOYSA-N 0 3 407.580 2.350 40 0 HEABHN COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000019129267 558845222 /nfs/dbraw/zinc/84/52/22/558845222.db2.gz GKAFVEYSKJHPSI-QGZVFWFLSA-N 0 3 411.506 2.379 40 0 HEABHN Cc1csc([C@@H](Cc2cccs2)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)n1 ZINC000019240030 558858765 /nfs/dbraw/zinc/85/87/65/558858765.db2.gz HPGFJRATKNEXLP-GDBMZVCRSA-N 0 3 406.577 2.323 40 0 HEABHN COc1ccccc1C[N@@H+]1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570351 558929093 /nfs/dbraw/zinc/92/90/93/558929093.db2.gz UXUCBTYCRDQUMN-SFHVURJKSA-N 0 3 422.529 2.453 40 0 HEABHN COc1ccccc1C[N@H+]1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1 ZINC000019570351 558929096 /nfs/dbraw/zinc/92/90/96/558929096.db2.gz UXUCBTYCRDQUMN-SFHVURJKSA-N 0 3 422.529 2.453 40 0 HEABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000096052915 559092695 /nfs/dbraw/zinc/09/26/95/559092695.db2.gz TYQFOYQTPKDJHW-QGZVFWFLSA-N 0 3 419.591 2.068 40 0 HEABHN Cn1cc(-c2cnc(N3CCCC3)nc2)cc1C(=O)N1CCN(c2ccncc2)CC1 ZINC000096147578 559098532 /nfs/dbraw/zinc/09/85/32/559098532.db2.gz NEFXOUAMATVVQC-UHFFFAOYSA-N 0 3 417.517 2.440 40 0 HEABHN O=C(NCc1ccccn1)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccccc3)CC2)O1 ZINC000096243856 559104874 /nfs/dbraw/zinc/10/48/74/559104874.db2.gz WCVRLMNSDNWUPO-NRFANRHFSA-N 0 3 417.513 2.485 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585291249 559123773 /nfs/dbraw/zinc/12/37/73/559123773.db2.gz MCWONDZETBMZAG-QUCCMNQESA-N 0 3 409.313 2.260 40 0 HEABHN Cn1ccnc1COc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 ZINC000257244734 559284201 /nfs/dbraw/zinc/28/42/01/559284201.db2.gz IMOXAGOBCXUAEE-QFIPXVFZSA-N 0 3 411.481 2.264 40 0 HEABHN CN1CCN(CCCNC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000022829389 568499776 /nfs/dbraw/zinc/49/97/76/568499776.db2.gz IGAHCFFTRCIJPJ-UHFFFAOYSA-N 0 3 400.386 2.436 40 0 HEABHN C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000220441604 568505624 /nfs/dbraw/zinc/50/56/24/568505624.db2.gz RQVWQOOVXIDTIZ-NSHDSACASA-N 0 3 408.351 2.358 40 0 HEABHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NC1CCN(C)CC1 ZINC000222764363 568525734 /nfs/dbraw/zinc/52/57/34/568525734.db2.gz RHUNOMJMNRNNSF-UHFFFAOYSA-N 0 3 423.579 2.013 40 0 HEABHN CC1CCN(CC(=O)N2CCC3(CC2)C[C@@H](O)[C@H](c2ccccc2)N(C)C3=O)CC1 ZINC000257201298 568776410 /nfs/dbraw/zinc/77/64/10/568776410.db2.gz AHBODUBVTDACLX-IRLDBZIGSA-N 0 3 413.562 2.291 40 0 HEABHN O=c1c2c(nc3n1CC1(C3)CCN(Cc3ccoc3)CC1)CCN(c1ncccn1)C2 ZINC000306134514 568896438 /nfs/dbraw/zinc/89/64/38/568896438.db2.gz NPRKWJMXAGFICL-UHFFFAOYSA-N 0 3 418.501 2.028 40 0 HEABHN CCc1ccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(C4CCCC4)nc2CO3)cc1 ZINC000306138027 568899901 /nfs/dbraw/zinc/89/99/01/568899901.db2.gz RNAYVYCLEKWTOF-QHCPKHFHSA-N 0 3 410.518 2.257 40 0 HEABHN Nc1cccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3ccco3)nn2)c1 ZINC000008253929 568985346 /nfs/dbraw/zinc/98/53/46/568985346.db2.gz HTHYRPLAJHTJSZ-ZTNFWEORSA-N 0 3 406.490 2.147 40 0 biogenic,in-vitro HEABHN CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000575425594 569026884 /nfs/dbraw/zinc/02/68/84/569026884.db2.gz TYYBGEYNCHYUPP-MRXNPFEDSA-N 0 3 423.000 2.250 40 0 HEABHN C[C@@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)n([C@H]3CCS(=O)(=O)C3)n2)C1 ZINC000253602862 569318372 /nfs/dbraw/zinc/31/83/72/569318372.db2.gz SICLQQZOPMUEEB-WBVHZDCISA-N 0 3 422.595 2.360 40 0 HEABHN CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000058051244 569352317 /nfs/dbraw/zinc/35/23/17/569352317.db2.gz DHNSJAGOCCUDEB-FQEVSTJZSA-N 0 3 407.580 2.350 40 0 HEABHN CN(C)CCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(C(F)(F)F)n1 ZINC000328962913 571304729 /nfs/dbraw/zinc/30/47/29/571304729.db2.gz BKLKQYNZUKUARQ-UHFFFAOYSA-N 0 3 410.444 3.049 40 0 HEABHN CN1[C@@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccccc1 ZINC000035442428 291205550 /nfs/dbraw/zinc/20/55/50/291205550.db2.gz BGSYVRDYBNVVMX-ZVDOUQERSA-N 0 3 400.567 2.002 40 0 biogenic,in-vitro HEABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(S(C)(=O)=O)cc1)COC3 ZINC000096112637 291209411 /nfs/dbraw/zinc/20/94/11/291209411.db2.gz BFTLRQDTWLUFHZ-HNNXBMFYSA-N 0 3 401.488 2.310 40 0 biogenic,in-vitro HEABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccccc1 ZINC000020636919 558396491 /nfs/dbraw/zinc/39/64/91/558396491.db2.gz CFNCQLHKNUXGSO-PMACEKPBSA-N 0 3 424.476 2.354 40 0 HEABHN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3CCN(C)CC3)CC2)c(C)c1 ZINC000023421523 558557822 /nfs/dbraw/zinc/55/78/22/558557822.db2.gz PQUNPQKZCOJZCR-UHFFFAOYSA-N 0 3 407.580 2.223 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1C(=O)N1CCCC1 ZINC000013669359 558561151 /nfs/dbraw/zinc/56/11/51/558561151.db2.gz SVNOHSRUPHCQIP-UHFFFAOYSA-N 0 3 423.579 2.476 40 0 HEABHN Cc1cc(-c2cnc(N(C)CCN(C)C)nc2-c2ccc(N3CCOCC3)nc2)on1 ZINC000019123954 558844274 /nfs/dbraw/zinc/84/42/74/558844274.db2.gz CXRQLMXALVWRSP-UHFFFAOYSA-N 0 3 423.521 2.336 40 0 HEABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4nc(C)n5ccccc45)C[C@H]32)c(OC)n1 ZINC000019240722 558859207 /nfs/dbraw/zinc/85/92/07/558859207.db2.gz JFLRSZCKQSLMDT-LBUQITIBSA-N 0 3 409.490 2.180 40 0 HEABHN O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)N1CCn2cnnc2C1 ZINC000019372456 558879875 /nfs/dbraw/zinc/87/98/75/558879875.db2.gz BWDVXNIHJZZATJ-SFTDATJTSA-N 0 3 415.497 2.251 40 0 HEABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccnc(N2CCOCC2)n1 ZINC000019450000 558888505 /nfs/dbraw/zinc/88/85/05/558888505.db2.gz KIZYAOWCOPVPKP-WOJBJXKFSA-N 0 3 409.534 2.053 40 0 HEABHN O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(CC3CC3)CC1)C2=O ZINC000019699406 558966685 /nfs/dbraw/zinc/96/66/85/558966685.db2.gz XOXPMKSBSLPICS-UHFFFAOYSA-N 0 3 410.518 2.088 40 0 HEABHN COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c(OC)c1 ZINC000072392580 558972362 /nfs/dbraw/zinc/97/23/62/558972362.db2.gz LMFGOOKCALPDED-GKIWIXTESA-N 0 3 415.490 2.241 40 0 HEABHN CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 ZINC000019710493 558972713 /nfs/dbraw/zinc/97/27/13/558972713.db2.gz XAGKLMIJJCOGOK-UHFFFAOYSA-N 0 3 413.497 2.430 40 0 HEABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CC1 ZINC000072394859 558973779 /nfs/dbraw/zinc/97/37/79/558973779.db2.gz NHLBVQOKHNKKMB-FCHUYYIVSA-N 0 3 421.541 2.475 40 0 HEABHN COc1cc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)cc(OC)c1O ZINC000073330544 558986303 /nfs/dbraw/zinc/98/63/03/558986303.db2.gz PLYMCEKNTUNNOM-MPZARTNMSA-N 0 3 403.431 2.207 40 0 HEABHN COc1cc(OC)cc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@@H](O)C4)C3)CC2)c1 ZINC000585103085 559026340 /nfs/dbraw/zinc/02/63/40/559026340.db2.gz CIIRWZWYQWNSES-WIYYLYMNSA-N 0 3 418.534 2.172 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1 ZINC000585104839 559027363 /nfs/dbraw/zinc/02/73/63/559027363.db2.gz UCSCGMGEPVRNBP-TZIWHRDSSA-N 0 3 402.535 2.228 40 0 HEABHN CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccs3)CCO2)C1=O ZINC000585107435 559028007 /nfs/dbraw/zinc/02/80/07/559028007.db2.gz VVKCEXDPUMMWAE-AVRDEDQJSA-N 0 3 413.543 2.147 40 0 HEABHN CCOC(=O)N1CCC(N2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585282496 559120057 /nfs/dbraw/zinc/12/00/57/559120057.db2.gz LCRNGHXDVZJCPT-FQEVSTJZSA-N 0 3 414.449 2.028 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CNCc2ccc(F)cc2)C1 ZINC000585285007 559121431 /nfs/dbraw/zinc/12/14/31/559121431.db2.gz NAHNWBLPLVQPGG-PZJWPPBQSA-N 0 3 406.885 2.136 40 0 HEABHN CC(=O)N1CCN(CC2(O)CCCCC2)C[C@](O)(COc2cc(C)cc(C)c2)C1 ZINC000585286696 559122078 /nfs/dbraw/zinc/12/20/78/559122078.db2.gz HUURBTUOYKNPPH-HSZRJFAPSA-N 0 3 404.551 2.273 40 0 HEABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCc2ccc(Cl)cc2)C1 ZINC000585290954 559123524 /nfs/dbraw/zinc/12/35/24/559123524.db2.gz HRJILXBKZTYZFG-QUCCMNQESA-N 0 3 409.313 2.260 40 0 HEABHN O[C@@]1(CN2CCC(F)(F)CC2)CCN(Cc2cccc(CN3CCOCC3)c2)C1 ZINC000257233169 559283949 /nfs/dbraw/zinc/28/39/49/559283949.db2.gz GOCLGIKTDXZOJM-OAQYLSRUSA-N 0 3 409.521 2.187 40 0 HEABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)COC1CCCCC1 ZINC000257282939 559285287 /nfs/dbraw/zinc/28/52/87/559285287.db2.gz OVZKADQWVIXECO-FQEVSTJZSA-N 0 3 420.550 2.066 40 0 HEABHN Cc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000004133418 560600555 /nfs/dbraw/zinc/60/05/55/560600555.db2.gz HMEFVVQJAMTBEX-GOSISDBHSA-N 0 3 402.564 2.254 40 0 HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccn2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 ZINC000604382153 568489386 /nfs/dbraw/zinc/48/93/86/568489386.db2.gz HVOVGQXLTOCJBX-SSGKUCQKSA-N 0 3 420.513 2.141 40 0 biogenic,in-vitro HEABHN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCCCCC3)C2)cc1 ZINC000026111363 568540807 /nfs/dbraw/zinc/54/08/07/568540807.db2.gz KJQVVKWZCFXKDP-GOSISDBHSA-N 0 3 423.579 2.088 40 0 HEABHN O=C(CN1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1cnccn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257302252 568804935 /nfs/dbraw/zinc/80/49/35/568804935.db2.gz SCDJCGYTAPNPLH-IIDMSEBBSA-N 0 3 406.490 2.176 40 0 HEABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000257340017 568815960 /nfs/dbraw/zinc/81/59/60/568815960.db2.gz ZEDGHSZCJWXKNL-QFIPXVFZSA-N 0 3 421.545 2.231 40 0 HEABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CCN(Cc3ccsc3)C1)C2 ZINC000306125013 568888037 /nfs/dbraw/zinc/88/80/37/568888037.db2.gz CEOSVTGCFICQFK-NRFANRHFSA-N 0 3 412.490 2.102 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccccc2F)C1 ZINC000306130331 568892783 /nfs/dbraw/zinc/89/27/83/568892783.db2.gz JCUQHNBMVVFXIC-OAQYLSRUSA-N 0 3 412.490 2.201 40 0 HEABHN COc1ncccc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4cccc(F)c4)n3C[C@@H]2C1 ZINC000306134116 568896085 /nfs/dbraw/zinc/89/60/85/568896085.db2.gz NDVMTIMHTZSRTC-HOTGVXAUSA-N 0 3 422.464 2.377 40 0 HEABHN CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccc(C)n3)CC1)COC2 ZINC000306139218 568901162 /nfs/dbraw/zinc/90/11/62/568901162.db2.gz SSILMBNLNWNLPM-INIZCTEOSA-N 0 3 412.538 2.322 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4ccncc4)C[C@@H]2C3)cc1 ZINC000306139301 568901217 /nfs/dbraw/zinc/90/12/17/568901217.db2.gz SUFDIQOYOOXGHX-DLBZAZTESA-N 0 3 404.474 2.238 40 0 HEABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218107449 568925781 /nfs/dbraw/zinc/92/57/81/568925781.db2.gz ISKDFYVKIGXWFK-ZJOUEHCJSA-N 0 3 403.500 2.452 40 0 HEABHN CN(CCc1ccccc1)[C@H]1[C@@H](CNCc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020465833 575368669 /nfs/dbraw/zinc/36/86/69/575368669.db2.gz AEHNFKJRMFLJNX-CLAROIROSA-N 0 3 404.938 2.093 40 0 biogenic,in-vitro HEABHN CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111837 291202652 /nfs/dbraw/zinc/20/26/52/291202652.db2.gz RMYXGNJOIVUDKL-UNMCSNQZSA-N 0 3 420.513 2.461 40 0 biogenic,in-vitro HEABHN CN1[C@@H]2CCN(CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000035442462 291205577 /nfs/dbraw/zinc/20/55/77/291205577.db2.gz ONFVXTCJQMHIDY-WDYCEAGBSA-N 0 3 406.596 2.064 40 0 biogenic,in-vitro HEABHN CN(C)C[C@H]1O[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O ZINC000096296061 291204974 /nfs/dbraw/zinc/20/49/74/291204974.db2.gz PBPNJONBMNICGS-ACIOBRDBSA-N 0 3 414.550 2.009 40 0 biogenic,in-vitro HEABHN O[C@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1 ZINC000011681534 558269964 /nfs/dbraw/zinc/26/99/64/558269964.db2.gz KOHIRBRYDXPAMZ-UBBRYJJRSA-N 0 3 405.441 2.364 40 0 fda HEABHN COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549892 558914602 /nfs/dbraw/zinc/91/46/02/558914602.db2.gz QJONMBVJIOLPRL-UHFFFAOYSA-N 0 3 422.485 2.459 40 0 HEABHN COc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc(OC)c1OC ZINC000019549892 558914604 /nfs/dbraw/zinc/91/46/04/558914604.db2.gz QJONMBVJIOLPRL-UHFFFAOYSA-N 0 3 422.485 2.459 40 0 HEABHN COCCOc1cccc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c1 ZINC000019593809 558944908 /nfs/dbraw/zinc/94/49/08/558944908.db2.gz XGXNXSJKZRIFKJ-UHFFFAOYSA-N 0 3 406.486 2.458 40 0 HEABHN COCCOc1cccc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c1 ZINC000019593809 558944911 /nfs/dbraw/zinc/94/49/11/558944911.db2.gz XGXNXSJKZRIFKJ-UHFFFAOYSA-N 0 3 406.486 2.458 40 0 HEABHN CC(C)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O ZINC000019699842 558966757 /nfs/dbraw/zinc/96/67/57/558966757.db2.gz IKEXUYGDBBLLMI-GOSISDBHSA-N 0 3 404.555 2.353 40 0 HEABHN CC(C)Oc1ccc(CN2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cn1cccn1 ZINC000019715778 558977103 /nfs/dbraw/zinc/97/71/03/558977103.db2.gz MCJJDUZXLCYCSP-UHFFFAOYSA-N 0 3 411.506 2.235 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)cc1 ZINC000585104020 559025904 /nfs/dbraw/zinc/02/59/04/559025904.db2.gz KNBHEXYXXCFPBH-OAQYLSRUSA-N 0 3 402.535 2.228 40 0 HEABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)CCc1cncnc1)CC2 ZINC000585103252 559026506 /nfs/dbraw/zinc/02/65/06/559026506.db2.gz AWUKOVWDJZWHEU-OAQYLSRUSA-N 0 3 409.534 2.334 40 0 HEABHN Cc1ccc(OCC(=O)N2CCC3(CO[C@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104905 559027502 /nfs/dbraw/zinc/02/75/02/559027502.db2.gz WRJMJZWEJXRENH-BAGYTPMASA-N 0 3 416.562 2.474 40 0 HEABHN O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270553 559116550 /nfs/dbraw/zinc/11/65/50/559116550.db2.gz MJTNYSOTMQLESG-XMMPIXPASA-N 0 3 424.545 2.204 40 0 HEABHN Cc1cccc(OC[C@@]2(O)CN(Cc3cccc(OCCN(C)C)c3)CC[C@@H]2O)c1 ZINC000585282100 559119898 /nfs/dbraw/zinc/11/98/98/559119898.db2.gz HARDWZFJUAQUAF-ZEQRLZLVSA-N 0 3 414.546 2.312 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@H](O)[C@@](O)(CNCc2cccc(Cl)c2)C1 ZINC000585283106 559120468 /nfs/dbraw/zinc/12/04/68/559120468.db2.gz BSLMWGYFOREOPN-RBBKRZOGSA-N 0 3 402.922 2.387 40 0 HEABHN CN(CCc1ccccc1)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O ZINC000585284999 559121491 /nfs/dbraw/zinc/12/14/91/559121491.db2.gz NAFSNKOBHHHXDD-UNMCSNQZSA-N 0 3 402.922 2.452 40 0 HEABHN O=C(Cc1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(c3ccccc3)CC2)C1 ZINC000585285626 559121712 /nfs/dbraw/zinc/12/17/12/559121712.db2.gz RFMBBNOMSQUHKY-UKILVPOCSA-N 0 3 408.542 2.433 40 0 HEABHN CCCN(CCC)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 ZINC000072210858 559168108 /nfs/dbraw/zinc/16/81/08/559168108.db2.gz AKSTXIOASIVVSN-UHFFFAOYSA-N 0 3 405.362 2.064 40 0 HEABHN O[C@H]1CN(Cc2ccc(OCCn3cccn3)cc2)C[C@@H]1N1CCC(F)(F)CC1 ZINC000257320613 559282977 /nfs/dbraw/zinc/28/29/77/559282977.db2.gz VXOPPRHTYANQLK-PMACEKPBSA-N 0 3 406.477 2.238 40 0 HEABHN NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCCN1CCCC1 ZINC000257232056 559283886 /nfs/dbraw/zinc/28/38/86/559283886.db2.gz GJGHYJGNMQBSSA-QHCPKHFHSA-N 0 3 422.573 2.333 40 0 HEABHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12c1ccccc1N(C)C2=O ZINC000033896911 559289458 /nfs/dbraw/zinc/28/94/58/559289458.db2.gz FWMURFMWNBJXJT-XMMPIXPASA-N 0 3 417.465 2.421 40 0 HEABHN COCCCNC(=S)N(CCN(C)C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004133506 560600513 /nfs/dbraw/zinc/60/05/13/560600513.db2.gz SKIINKNRCCLDKP-UHFFFAOYSA-N 0 3 404.580 2.420 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1C(=O)N1CCCCC1 ZINC000010279365 560766484 /nfs/dbraw/zinc/76/64/84/560766484.db2.gz YXMMXIIQMYKDQE-UHFFFAOYSA-N 0 3 423.579 2.476 40 0 HEABHN CN1CCC(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)CC1 ZINC000219142800 568487189 /nfs/dbraw/zinc/48/71/89/568487189.db2.gz UYDNMXBBMPMIOV-UHFFFAOYSA-N 0 3 411.524 2.293 40 0 HEABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(-c2cccnc2)n1 ZINC000604382664 568489551 /nfs/dbraw/zinc/48/95/51/568489551.db2.gz XZEXRNCHZFRMLV-UGESXGAOSA-N 0 3 408.477 2.368 40 0 biogenic,in-vitro HEABHN CNC(=O)[C@H]1CN(C(=O)c2ccccc2CN2CCCC2)CCN1Cc1ccccc1 ZINC000257206408 568777860 /nfs/dbraw/zinc/77/78/60/568777860.db2.gz BDGNHKRPEAXDAR-HSZRJFAPSA-N 0 3 420.557 2.355 40 0 HEABHN CC(C)=CCn1nc2ccn(-c3ccc(C(=O)N(C)CCN(C)C)cc3)nc-2c1=O ZINC000306125369 568888086 /nfs/dbraw/zinc/88/80/86/568888086.db2.gz CNUVMRWKFIWROC-UHFFFAOYSA-N 0 3 408.506 2.134 40 0 HEABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@]1(CCN(Cc3cccs3)C1)C2 ZINC000306125484 568888313 /nfs/dbraw/zinc/88/83/13/568888313.db2.gz CSGUAHRZBAGESA-OAQYLSRUSA-N 0 3 412.490 2.102 40 0 HEABHN O=c1c(=O)n(Cc2ccc(F)cc2)nc2n1C[C@@]1(CCN(Cc3cccs3)C1)C2 ZINC000306125483 568888366 /nfs/dbraw/zinc/88/83/66/568888366.db2.gz CSGUAHRZBAGESA-NRFANRHFSA-N 0 3 412.490 2.102 40 0 HEABHN COc1ncccc1CN1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306134896 568896662 /nfs/dbraw/zinc/89/66/62/568896662.db2.gz OAXNZVPTDXQVMK-SJORKVTESA-N 0 3 404.474 2.238 40 0 HEABHN CCn1cc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5cccc(F)c5)n4C[C@H]3C2)cn1 ZINC000306138375 568900374 /nfs/dbraw/zinc/90/03/74/568900374.db2.gz RWBDCQSKOVOPAW-JKSUJKDBSA-N 0 3 409.469 2.190 40 0 HEABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3cccnc3)CC2)O1 ZINC000306141359 568902979 /nfs/dbraw/zinc/90/29/79/568902979.db2.gz VTAWNOJXILTURM-QFIPXVFZSA-N 0 3 408.546 2.405 40 0 HEABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218167348 568926941 /nfs/dbraw/zinc/92/69/41/568926941.db2.gz VZNMCNOMUINIOL-IRFCIJBXSA-N 0 3 417.483 2.172 40 0 HEABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000575421687 569026054 /nfs/dbraw/zinc/02/60/54/569026054.db2.gz LEAFXLMORDCLDD-SFHVURJKSA-N 0 3 416.609 2.213 40 0 HEABHN CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 ZINC000019699395 569346953 /nfs/dbraw/zinc/34/69/53/569346953.db2.gz KAXBTIDAWMZAIO-LJQANCHMSA-N 0 3 412.534 2.220 40 0 HEABHN CC(C)C(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 ZINC000019699451 569346981 /nfs/dbraw/zinc/34/69/81/569346981.db2.gz IOXNCOSWDQPEKQ-UHFFFAOYSA-N 0 3 412.534 2.220 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCC3CCCC3)CC1)C2=O ZINC000019699554 569347050 /nfs/dbraw/zinc/34/70/50/569347050.db2.gz QNHWEEYRKCWLIK-UHFFFAOYSA-N 0 3 404.555 2.354 40 0 HEABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC000023421610 558557954 /nfs/dbraw/zinc/55/79/54/558557954.db2.gz XBIHYIYEIYEUAR-UHFFFAOYSA-N 0 3 415.559 2.451 40 0 HEABHN O=C(NCCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000013688567 558571174 /nfs/dbraw/zinc/57/11/74/558571174.db2.gz XMLSSAHNQZVQPU-UHFFFAOYSA-N 0 3 413.971 2.343 40 0 HEABHN COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCCO ZINC000019129270 558845185 /nfs/dbraw/zinc/84/51/85/558845185.db2.gz GKAFVEYSKJHPSI-KRWDZBQOSA-N 0 3 411.506 2.379 40 0 HEABHN C[C@@H]1CCCN(CC(C)(C)NC(=O)c2cc(C3CC3)n([C@@H]3CCS(=O)(=O)C3)n2)C1 ZINC000019496538 558895541 /nfs/dbraw/zinc/89/55/41/558895541.db2.gz SICLQQZOPMUEEB-NVXWUHKLSA-N 0 3 422.595 2.360 40 0 HEABHN Cc1cc(C(=O)NCCNc2cc(C)nc3ccccc32)nc(N2CCOCC2)n1 ZINC000019660348 558951652 /nfs/dbraw/zinc/95/16/52/558951652.db2.gz DFCQEJYZMOFVBA-UHFFFAOYSA-N 0 3 406.490 2.320 40 0 HEABHN COC(=O)[C@@]1(C)C[C@@H](N(C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113246 559031128 /nfs/dbraw/zinc/03/11/28/559031128.db2.gz TWLBDFAUOIGKCB-FDDCHVKYSA-N 0 3 411.502 2.054 40 0 HEABHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243594 559104768 /nfs/dbraw/zinc/10/47/68/559104768.db2.gz LRNQMRCGBPBDLS-FQEVSTJZSA-N 0 3 410.518 2.308 40 0 HEABHN O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270544 559116532 /nfs/dbraw/zinc/11/65/32/559116532.db2.gz MJTNYSOTMQLESG-DEOSSOPVSA-N 0 3 424.545 2.204 40 0 HEABHN Cc1ccc(CNC[C@@]2(O)CCN(C(=O)Cc3ccc(Cl)cc3)C[C@@H]2O)cc1 ZINC000585283207 559120464 /nfs/dbraw/zinc/12/04/64/559120464.db2.gz DDRQYXIHPKSLLG-UNMCSNQZSA-N 0 3 402.922 2.305 40 0 HEABHN CCOc1ccc(CNC[C@]2(O)CN(C(=O)CCc3ccccc3)CC[C@H]2O)cc1 ZINC000585285845 559121754 /nfs/dbraw/zinc/12/17/54/559121754.db2.gz NDHKIDCGHBJQDM-VWNXMTODSA-N 0 3 412.530 2.132 40 0 HEABHN CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)COC1CCCCC1 ZINC000257282940 559285372 /nfs/dbraw/zinc/28/53/72/559285372.db2.gz OVZKADQWVIXECO-HXUWFJFHSA-N 0 3 420.550 2.066 40 0 HEABHN CCn1c(SCCN2CCCC2)nnc1[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000005001526 560620106 /nfs/dbraw/zinc/62/01/06/560620106.db2.gz HYOXXMHTZLVUQO-IRXDYDNUSA-N 0 3 407.584 2.371 40 0 HEABHN COCCNC(=O)c1sc2nccnc2c1[C@H]1CCCN(C2CCOCC2)C1 ZINC000257234928 568786051 /nfs/dbraw/zinc/78/60/51/568786051.db2.gz GVQNZYNGLUTMKZ-AWEZNQCLSA-N 0 3 404.536 2.426 40 0 HEABHN CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)c1cccc(CN)c1 ZINC000257277936 568798052 /nfs/dbraw/zinc/79/80/52/568798052.db2.gz OACBUFJGIQSMLT-UHFFFAOYSA-N 0 3 405.502 2.192 40 0 HEABHN Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 ZINC000257282724 568799282 /nfs/dbraw/zinc/79/92/82/568799282.db2.gz OUZSDTQWLVCWSH-QHCPKHFHSA-N 0 3 409.534 2.142 40 0 HEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000019760633 568871220 /nfs/dbraw/zinc/87/12/20/568871220.db2.gz NRXNDXCCFUUUKH-INIZCTEOSA-N 0 3 409.943 2.441 40 0 HEABHN Cc1ncsc1CN1CCC2(CCc3nnc(C(=O)NCC4CC4)n3C2)CC1 ZINC000306129989 568892312 /nfs/dbraw/zinc/89/23/12/568892312.db2.gz ITHSJLVAWLUXOM-UHFFFAOYSA-N 0 3 400.552 2.411 40 0 HEABHN CCn1cc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000306138374 568900401 /nfs/dbraw/zinc/90/04/01/568900401.db2.gz RWBDCQSKOVOPAW-HZPDHXFCSA-N 0 3 409.469 2.190 40 0 HEABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000306141936 568903490 /nfs/dbraw/zinc/90/34/90/568903490.db2.gz WKTJUDWJSXNGLK-UHFFFAOYSA-N 0 3 409.490 2.128 40 0 HEABHN CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1C ZINC000575422719 569026255 /nfs/dbraw/zinc/02/62/55/569026255.db2.gz CCLIGGKKEZQZSG-SFHVURJKSA-N 0 3 416.609 2.213 40 0 HEABHN CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3CN2CCOCC2)cc1 ZINC000020503806 291203270 /nfs/dbraw/zinc/20/32/70/291203270.db2.gz FRRZHVCEFNDZBO-IRFCIJBXSA-N 0 3 400.523 2.053 40 0 biogenic,in-vitro HEABHN COc1ccc(CN2C[C@@H]3CN(C4CCN(C(C)=O)CC4)CCN3C(C)(C)C2)cc1 ZINC000253398956 291208298 /nfs/dbraw/zinc/20/82/98/291208298.db2.gz HVYSMTPEWHBWRO-JOCHJYFZSA-N 0 3 414.594 2.287 40 0 biogenic,in-vitro HEABHN O[C@H]1CC[C@@H](Cc2cc(CN3CCCCC3)on2)O[C@@H]1CNCc1cccnc1 ZINC000096296051 291213934 /nfs/dbraw/zinc/21/39/34/291213934.db2.gz SLQNGGTZTRSVDP-ILWGZMRPSA-N 0 3 400.523 2.296 40 0 biogenic,in-vitro HEABHN CN1CCN(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000044913753 523896251 /nfs/dbraw/zinc/89/62/51/523896251.db2.gz NMAVCABTJRZSSO-UHFFFAOYSA-N 0 3 410.965 2.445 40 0 HEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 ZINC000408710086 557737460 /nfs/dbraw/zinc/73/74/60/557737460.db2.gz OCPWRGAWCHRESO-LJQANCHMSA-N 0 3 422.529 2.464 40 0 HEABHN CN(C)c1ncccc1CN1CC[C@@H](c2cc(C(=O)NCCO)c3ccccc3n2)C1 ZINC000019761758 558276883 /nfs/dbraw/zinc/27/68/83/558276883.db2.gz GCDGBTZAGLUWSL-QGZVFWFLSA-N 0 3 419.529 2.407 40 0 HEABHN Cn1nccc1CN1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 ZINC000019762701 558277221 /nfs/dbraw/zinc/27/72/21/558277221.db2.gz KYUHJSOSAARTNL-KRWDZBQOSA-N 0 3 405.502 2.430 40 0 HEABHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1N1CCCC1=O ZINC000020495057 558380172 /nfs/dbraw/zinc/38/01/72/558380172.db2.gz CIRHWBXOOKCECU-CALCHBBNSA-N 0 3 423.579 2.468 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1CN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000019371942 558879537 /nfs/dbraw/zinc/87/95/37/558879537.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 0 3 416.529 2.497 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1CN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000019371942 558879538 /nfs/dbraw/zinc/87/95/38/558879538.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 0 3 416.529 2.497 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1C[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000019371942 558879539 /nfs/dbraw/zinc/87/95/39/558879539.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 0 3 416.529 2.497 40 0 HEABHN O=c1[n-]c(-c2cnccn2)nc2c1C[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000019371942 558879540 /nfs/dbraw/zinc/87/95/40/558879540.db2.gz VGKQDFUSGYHHKB-IBGZPJMESA-N 0 3 416.529 2.497 40 0 HEABHN O=C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCOCC1 ZINC000019372454 558879806 /nfs/dbraw/zinc/87/98/06/558879806.db2.gz FNIQQVGYQDAQFA-SFTDATJTSA-N 0 3 421.545 2.151 40 0 HEABHN Cc1c(C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)nnn1-c1ccccc1F ZINC000019557776 558919819 /nfs/dbraw/zinc/91/98/19/558919819.db2.gz WNBPSNUSCAOPFU-KRWDZBQOSA-N 0 3 401.486 2.430 40 0 HEABHN CC(C)(CN1CCCCC1)NC(=O)c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000019661882 558952862 /nfs/dbraw/zinc/95/28/62/558952862.db2.gz YEKNQJCUGQVOBA-INIZCTEOSA-N 0 3 408.568 2.114 40 0 HEABHN COC(=O)[C@]1(C)C[C@H](N(C)Cc2ccccc2)CCN1C(=O)c1cccn(C)c1=O ZINC000585113247 559031239 /nfs/dbraw/zinc/03/12/39/559031239.db2.gz TWLBDFAUOIGKCB-JPYJTQIMSA-N 0 3 411.502 2.054 40 0 HEABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)c2ccccc21 ZINC000096052896 559092664 /nfs/dbraw/zinc/09/26/64/559092664.db2.gz LDMYAQZOTOVPPT-IBGZPJMESA-N 0 3 421.545 2.206 40 0 HEABHN CN(C)CCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(F)c3)C2)cc1 ZINC000585283012 559120390 /nfs/dbraw/zinc/12/03/90/559120390.db2.gz OOAZYDOLTSVVLF-GOTSBHOMSA-N 0 3 418.509 2.143 40 0 HEABHN O=C(CCc1ccccc1)N1CC[C@](O)(CNCc2cc(F)cc(F)c2)[C@@H](O)C1 ZINC000585283144 559120508 /nfs/dbraw/zinc/12/05/08/559120508.db2.gz CLRUVBXEXRYDLI-UNMCSNQZSA-N 0 3 404.457 2.012 40 0 HEABHN COc1cccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c1 ZINC000585285067 559121484 /nfs/dbraw/zinc/12/14/84/559121484.db2.gz NSWJNZBIERJDLI-FPOVZHCZSA-N 0 3 404.894 2.076 40 0 HEABHN CS(=O)(=O)N1CCCC[C@H]2CN([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)CC[C@H]21 ZINC000585288994 559122434 /nfs/dbraw/zinc/12/24/34/559122434.db2.gz MCJXGPCCVIQBGG-AOIWZFSPSA-N 0 3 422.591 2.483 40 0 HEABHN CCOc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2O)cc1 ZINC000585292146 559124670 /nfs/dbraw/zinc/12/46/70/559124670.db2.gz XDFSKZTWTKFTSD-IRLDBZIGSA-N 0 3 418.921 2.005 40 0 HEABHN CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 ZINC000113949202 559182763 /nfs/dbraw/zinc/18/27/63/559182763.db2.gz HQRXBEXDPPNGGO-UHFFFAOYSA-N 0 3 413.971 2.092 40 0 HEABHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(C)c(C)c2)cc1 ZINC000010111538 560763824 /nfs/dbraw/zinc/76/38/24/560763824.db2.gz PEZQYQWDEXIAAM-UHFFFAOYSA-N 0 3 403.548 2.485 40 0 HEABHN CCN(Cc1ccc(C(=O)NCCN(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224466701 568582113 /nfs/dbraw/zinc/58/21/13/568582113.db2.gz BDBUXKQUOLIUEZ-UHFFFAOYSA-N 0 3 419.547 2.197 40 0 HEABHN CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1OC ZINC000224781074 568596651 /nfs/dbraw/zinc/59/66/51/568596651.db2.gz LMERMHYNBZDICY-UHFFFAOYSA-N 0 3 417.531 2.129 40 0 HEABHN Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 ZINC000257261774 568793328 /nfs/dbraw/zinc/79/33/28/568793328.db2.gz LITAPFKOPOKTHK-DEOSSOPVSA-N 0 3 423.561 2.484 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306128196 568891052 /nfs/dbraw/zinc/89/10/52/568891052.db2.gz GTYREGIMVJILPN-NRFANRHFSA-N 0 3 412.490 2.201 40 0 HEABHN COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccnc4)C[C@@H]2C3)cc1 ZINC000306130058 568892551 /nfs/dbraw/zinc/89/25/51/568892551.db2.gz IVMIAHAQDVTOES-DLBZAZTESA-N 0 3 404.474 2.238 40 0 HEABHN O=c1c(=O)n(Cc2ccccc2)nc2n1CCC21CCN(Cc2ccsc2)CC1 ZINC000306135590 568897480 /nfs/dbraw/zinc/89/74/80/568897480.db2.gz OVIJMEGLBKTCQG-UHFFFAOYSA-N 0 3 408.527 2.452 40 0 HEABHN Cc1cccc(CN2CC[C@]3(C2)Cn2c(=O)c(=O)n(CC4CCCCC4)nc2CO3)c1 ZINC000306140488 568902401 /nfs/dbraw/zinc/90/24/01/568902401.db2.gz UUVNDVYLHYWSQU-DEOSSOPVSA-N 0 3 424.545 2.469 40 0 HEABHN O=c1c(=O)n(Cc2cccs2)nc2n1CC[C@@]21CCN(Cc2ccsc2)C1 ZINC000306144131 568905397 /nfs/dbraw/zinc/90/53/97/568905397.db2.gz YWTDISVRBRGEIM-LJQANCHMSA-N 0 3 400.529 2.124 40 0 HEABHN CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O ZINC000019699908 569347157 /nfs/dbraw/zinc/34/71/57/569347157.db2.gz SVBPYDWUMQAPPV-GOSISDBHSA-N 0 3 404.555 2.354 40 0 HEABHN CNCc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 ZINC000019709601 569348062 /nfs/dbraw/zinc/34/80/62/569348062.db2.gz OFYDGMRDCUUXGW-MRXNPFEDSA-N 0 3 403.552 2.139 40 0 HEABHN COc1ccc(OC)c(CC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3)n2)c1 ZINC000019760191 569429656 /nfs/dbraw/zinc/42/96/56/569429656.db2.gz ANDYGCUIJQTERG-GOSISDBHSA-N 0 3 413.522 2.185 40 0 HEABHN