smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H](COC)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000160496169 332810981 /nfs/dbraw/zinc/81/09/81/332810981.db2.gz PJENHHGWQHSIMD-SFHVURJKSA-N 0 3 319.493 3.613 20 70 DHIDHN Cc1c([C@@H](C)N[C@@H](C)C2CC2)nnn1-c1cccc(Cl)c1 ZINC000160104714 332761649 /nfs/dbraw/zinc/76/16/49/332761649.db2.gz KDBGJSCDEPEVHF-WDEREUQCSA-N 0 3 304.825 3.678 20 70 DHIDHN CC[C@H](NC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000218171724 337082363 /nfs/dbraw/zinc/08/23/63/337082363.db2.gz ZKLOHINNKWAAGW-AEFFLSMTSA-N 0 3 319.832 3.821 20 70 DHIDHN CC(=O)Nc1cccc([C@@H](C)NCCC(=O)c2ccc(C)cc2)c1 ZINC000161437736 519747068 /nfs/dbraw/zinc/74/70/68/519747068.db2.gz SKFDWJBVDVAGKU-OAHLLOKOSA-N 0 3 324.424 3.877 20 70 DHIDHN CC(C)[C@H](N[C@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022702 519821641 /nfs/dbraw/zinc/82/16/41/519821641.db2.gz IPRODEGHEMIJAC-PXAZEXFGSA-N 0 3 318.442 3.962 20 70 DHIDHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000160433381 521900606 /nfs/dbraw/zinc/90/06/06/521900606.db2.gz BWVMAYPOOWVSIS-MRXNPFEDSA-N 0 3 314.454 3.617 20 70 DHIDHN C[C@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccco1 ZINC000160013835 525329687 /nfs/dbraw/zinc/32/96/87/525329687.db2.gz MWTCMDLNDAILMA-LBPRGKRZSA-N 0 3 304.356 3.595 20 70 DHIDHN C[C@H](NCCCN1CCCC1=O)c1ccc(-c2ccccc2)o1 ZINC000159573384 525335425 /nfs/dbraw/zinc/33/54/25/525335425.db2.gz OSQRZDLBLCOORJ-HNNXBMFYSA-N 0 3 312.413 3.610 20 70 DHIDHN C[C@H](NCCSc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000160520497 525362792 /nfs/dbraw/zinc/36/27/92/525362792.db2.gz KSROQAZITYZSOZ-LHSJRXKWSA-N 0 3 319.495 3.867 20 70 DHIDHN C[C@H](NCCc1ccc(OC(F)(F)F)cc1)c1cncs1 ZINC000161157189 525368830 /nfs/dbraw/zinc/36/88/30/525368830.db2.gz MEPKWEVCRCMWNP-JTQLQIEISA-N 0 3 316.348 3.935 20 70 DHIDHN CSC[C@@H](CCO)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000160399312 525642335 /nfs/dbraw/zinc/64/23/35/525642335.db2.gz WLGKHJNGQQYCAS-MWLCHTKSSA-N 0 3 308.274 3.758 20 70 DHIDHN O=C1CCCN1C[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000160683264 526974937 /nfs/dbraw/zinc/97/49/37/526974937.db2.gz MYOOZXLQRAVRHN-VQTJNVASSA-N 0 3 320.436 3.627 20 70 DHIDHN CC[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160138171 332764520 /nfs/dbraw/zinc/76/45/20/332764520.db2.gz SKYNHTQULFLAEY-QZTJIDSGSA-N 0 3 300.446 3.661 20 70 DHIDHN CCOC[C@H](C)NCc1ccc(Br)c2cccnc12 ZINC000160320445 332783563 /nfs/dbraw/zinc/78/35/63/332783563.db2.gz DTNBJHHQVPWXED-NSHDSACASA-N 0 3 323.234 3.512 20 70 DHIDHN CCSc1ccc([C@@H](C)NCCOC[C@H]2CCCO2)cc1 ZINC000159544257 332656812 /nfs/dbraw/zinc/65/68/12/332656812.db2.gz BEYDLJBYVGYWEB-GDBMZVCRSA-N 0 3 309.475 3.645 20 70 DHIDHN CC[C@H](NCC[S@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160778047 333368251 /nfs/dbraw/zinc/36/82/51/333368251.db2.gz NGZPOGQHACMZPV-PGRDOPGGSA-N 0 3 317.454 3.544 20 70 DHIDHN CCN(CC(=O)Nc1c(F)cccc1F)C[C@@H]1CC=CCC1 ZINC000160242628 520352397 /nfs/dbraw/zinc/35/23/97/520352397.db2.gz ZQAKWCFBJCUPII-CYBMUJFWSA-N 0 3 308.372 3.582 20 70 DHIDHN CCc1nc(CN[C@H](CCc2ccccc2)c2ccccc2)n[nH]1 ZINC000160373051 522355889 /nfs/dbraw/zinc/35/58/89/522355889.db2.gz PHIUQORUGJZTAI-GOSISDBHSA-N 0 3 320.440 3.831 20 70 DHIDHN COc1ccccc1-c1nnc(CN(C(C)C)C2CCCC2)o1 ZINC000160324233 524287410 /nfs/dbraw/zinc/28/74/10/524287410.db2.gz JOBYQXZLGVGYSX-UHFFFAOYSA-N 0 3 315.417 3.898 20 70 DHIDHN C[C@H](Cc1cccc(Br)c1)N[C@@H](C)c1cnccn1 ZINC000161403875 524709827 /nfs/dbraw/zinc/70/98/27/524709827.db2.gz QKRFMZULCJCQPN-NEPJUHHUSA-N 0 3 320.234 3.521 20 70 DHIDHN C[C@](O)(CN[C@@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160076088 525179296 /nfs/dbraw/zinc/17/92/96/525179296.db2.gz SPAYFZRZTBTBPO-SJORKVTESA-N 0 3 319.495 3.576 20 70 DHIDHN C[C@H](NCCCN1CCCC1=O)c1cccc(Cl)c1Cl ZINC000159481778 525334715 /nfs/dbraw/zinc/33/47/15/525334715.db2.gz VYIWOAKUYUZDBF-NSHDSACASA-N 0 3 315.244 3.657 20 70 DHIDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000161349200 525877749 /nfs/dbraw/zinc/87/77/49/525877749.db2.gz OVQZEWABTIYMCV-CVEARBPZSA-N 0 3 314.454 3.860 20 70 DHIDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000161349456 525884709 /nfs/dbraw/zinc/88/47/09/525884709.db2.gz OVQZEWABTIYMCV-HZPDHXFCSA-N 0 3 314.454 3.860 20 70 DHIDHN C[C@H](c1ccco1)N(C)CCCc1nc(-c2ccccc2)no1 ZINC000159760575 526144816 /nfs/dbraw/zinc/14/48/16/526144816.db2.gz VGPZKURLAMNLQJ-CQSZACIVSA-N 0 3 311.385 3.955 20 70 DHIDHN Cn1ncc2c1CCC[C@@H]2NCCSc1ccc(Cl)cc1 ZINC000160086544 527578426 /nfs/dbraw/zinc/57/84/26/527578426.db2.gz JDTPJBKPSVHHFT-HNNXBMFYSA-N 0 3 321.877 3.833 20 70 DHIDHN CC(C)C(=O)NCCCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000160000320 332744563 /nfs/dbraw/zinc/74/45/63/332744563.db2.gz YPTKTGPBUGIASO-LLVKDONJSA-N 0 3 317.260 3.806 20 70 DHIDHN CCOC(=O)CCCN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000216646917 336263820 /nfs/dbraw/zinc/26/38/20/336263820.db2.gz LPHHQCGBLYZLKF-UHFFFAOYSA-N 0 3 304.217 3.769 20 70 DHIDHN COc1ccc(OCCN[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000216625940 337223976 /nfs/dbraw/zinc/22/39/76/337223976.db2.gz FZEGFUJAGPNTOK-LBPRGKRZSA-N 0 3 307.340 3.703 20 70 DHIDHN COc1ccc(OC)c([C@@H](C)NCCOc2ccc(F)cc2)c1 ZINC000216777661 337226741 /nfs/dbraw/zinc/22/67/41/337226741.db2.gz COJBSZSITFGEIF-CYBMUJFWSA-N 0 3 319.376 3.573 20 70 DHIDHN C[C@H](N[C@H]1CCCC[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000217644825 337318478 /nfs/dbraw/zinc/31/84/78/337318478.db2.gz DEVAXJYYFVIIGL-AVGNSLFASA-N 0 3 317.458 3.792 20 70 DHIDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000217966937 337323470 /nfs/dbraw/zinc/32/34/70/337323470.db2.gz TVARFGJMUXJFLT-IPELMVKDSA-N 0 3 314.473 3.907 20 70 DHIDHN CCCOc1c(CN[C@H]2CCOC(C)(C)C2)cccc1OCC ZINC000160477218 520291544 /nfs/dbraw/zinc/29/15/44/520291544.db2.gz YBZAHJIYHAYPIP-INIZCTEOSA-N 0 3 321.461 3.921 20 70 DHIDHN CCCC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160473055 521103150 /nfs/dbraw/zinc/10/31/50/521103150.db2.gz RKKCSSJZWOBACV-IAGOWNOFSA-N 0 3 316.424 3.562 20 70 DHIDHN CCCC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160472940 521241231 /nfs/dbraw/zinc/24/12/31/521241231.db2.gz RKKCSSJZWOBACV-SJORKVTESA-N 0 3 316.424 3.562 20 70 DHIDHN COc1ccc(C)cc1[C@H](C)NC[C@](C)(O)c1ccsc1 ZINC000159978568 523858834 /nfs/dbraw/zinc/85/88/34/523858834.db2.gz NQSSCLPDZPQLLQ-GUYCJALGSA-N 0 3 305.443 3.623 20 70 DHIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483346 525377742 /nfs/dbraw/zinc/37/77/42/525377742.db2.gz XBEKLDGABKYIIZ-FZMZJTMJSA-N 0 3 309.331 3.531 20 70 DHIDHN NC1(C(=O)Nc2ccc(COC3CCCC3)cc2)CCCCC1 ZINC000161136306 527129086 /nfs/dbraw/zinc/12/90/86/527129086.db2.gz RRNIPKUHPPREIM-UHFFFAOYSA-N 0 3 316.445 3.746 20 70 DHIDHN Cn1cc(CN[C@@H]2CCCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159782146 527222284 /nfs/dbraw/zinc/22/22/84/527222284.db2.gz SIMYBEWLIGREMM-OAHLLOKOSA-N 0 3 323.362 3.996 20 70 DHIDHN C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000159963395 332738588 /nfs/dbraw/zinc/73/85/88/332738588.db2.gz BCBMOCORKXDCAL-AAEUAGOBSA-N 0 3 312.335 3.720 20 70 DHIDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046281 337082443 /nfs/dbraw/zinc/08/24/43/337082443.db2.gz CKQGLAWIBAQGCH-BEFAXECRSA-N 0 3 314.473 3.812 20 70 DHIDHN CC[C@H](NCC(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218207191 337082670 /nfs/dbraw/zinc/08/26/70/337082670.db2.gz JEFBNDNAXMFREK-INIZCTEOSA-N 0 3 308.853 3.783 20 70 DHIDHN CCOc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000159401776 521371490 /nfs/dbraw/zinc/37/14/90/521371490.db2.gz RNNQZOBSQWJBPZ-RCDICMHDSA-N 0 3 317.454 3.674 20 70 DHIDHN CCOc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000159401904 521374484 /nfs/dbraw/zinc/37/44/84/521374484.db2.gz RNNQZOBSQWJBPZ-JLCFBVMHSA-N 0 3 317.454 3.674 20 70 DHIDHN CCCN(Cc1cn(C)nc1-c1ccncc1)Cc1ccccc1 ZINC000160480623 521691795 /nfs/dbraw/zinc/69/17/95/521691795.db2.gz HVLKBSPJZXGBON-UHFFFAOYSA-N 0 3 320.440 3.894 20 70 DHIDHN C[C@@H](C1CC1)N(Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000159684061 524322673 /nfs/dbraw/zinc/32/26/73/524322673.db2.gz IVEYBSKTZDDZBM-ZDUSSCGKSA-N 0 3 314.454 3.648 20 70 DHIDHN Cc1cc(CN[C@H]2CCCc3sccc32)ccc1-n1cncn1 ZINC000160959741 524782208 /nfs/dbraw/zinc/78/22/08/524782208.db2.gz WJRWJSSUCWARJM-INIZCTEOSA-N 0 3 324.453 3.804 20 70 DHIDHN C[C@](O)(CN[C@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160076374 525182084 /nfs/dbraw/zinc/18/20/84/525182084.db2.gz SPAYFZRZTBTBPO-IRXDYDNUSA-N 0 3 319.495 3.576 20 70 DHIDHN C[C@@H](NCCCN1CCCC1=O)c1cc(Cl)ccc1Cl ZINC000159576775 525434785 /nfs/dbraw/zinc/43/47/85/525434785.db2.gz PMPPJQZNIRMEPU-LLVKDONJSA-N 0 3 315.244 3.657 20 70 DHIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000160282901 525698584 /nfs/dbraw/zinc/69/85/84/525698584.db2.gz HCKYUQCTWZGCRJ-KOLCDFICSA-N 0 3 308.274 3.758 20 70 DHIDHN Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000161349336 525893818 /nfs/dbraw/zinc/89/38/18/525893818.db2.gz OVQZEWABTIYMCV-HOTGVXAUSA-N 0 3 314.454 3.860 20 70 DHIDHN Cc1ccc(C(=O)CCN2CCN(C)CC23CCCCC3)cc1 ZINC000160036555 526043652 /nfs/dbraw/zinc/04/36/52/526043652.db2.gz FHXDZJSRZWJWQH-UHFFFAOYSA-N 0 3 314.473 3.518 20 70 DHIDHN Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(C)nc2)cc1 ZINC000161294790 527377706 /nfs/dbraw/zinc/37/77/06/527377706.db2.gz SXRATRNLPPXDLC-OAHLLOKOSA-N 0 3 306.413 3.735 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H]2CCc3c2cccc3C)c1 ZINC000160570996 332825431 /nfs/dbraw/zinc/82/54/31/332825431.db2.gz CZMJNBSWJZHQSY-FQEVSTJZSA-N 0 3 322.452 3.912 20 70 DHIDHN CCc1nc(CNC(C)(C)CN(C)Cc2ccccc2)cs1 ZINC000159368383 332079878 /nfs/dbraw/zinc/07/98/78/332079878.db2.gz OWXQCIRJROQEKN-UHFFFAOYSA-N 0 3 317.502 3.706 20 70 DHIDHN COc1ccc([C@H](C)NC[C@@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417556 332100372 /nfs/dbraw/zinc/10/03/72/332100372.db2.gz CJSHBBMVCYFZBL-KSSFIOAISA-N 0 3 309.450 3.542 20 70 DHIDHN CCSc1ccc([C@H](C)NCCOC[C@H]2CCCO2)cc1 ZINC000159544380 332656719 /nfs/dbraw/zinc/65/67/19/332656719.db2.gz BEYDLJBYVGYWEB-GOEBONIOSA-N 0 3 309.475 3.645 20 70 DHIDHN COc1ccc(OCCN[C@H]2CCSc3ccccc32)cc1 ZINC000216626229 336263722 /nfs/dbraw/zinc/26/37/22/336263722.db2.gz ZVLRWRSZEGFJQC-KRWDZBQOSA-N 0 3 315.438 3.901 20 70 DHIDHN CC(C)[C@@H](NCCC(C)(C)C)c1nc(-c2ccncc2)no1 ZINC000159605806 519798943 /nfs/dbraw/zinc/79/89/43/519798943.db2.gz FOGKHBINYXVGDG-CQSZACIVSA-N 0 3 302.422 3.855 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000160636541 519903729 /nfs/dbraw/zinc/90/37/29/519903729.db2.gz QTHRAEHTTGBXQY-INIZCTEOSA-N 0 3 310.441 3.986 20 70 DHIDHN CC1(C)C[C@@H](NCc2nc(-c3ccccc3)cs2)CCO1 ZINC000160579100 520524012 /nfs/dbraw/zinc/52/40/12/520524012.db2.gz WFHDHCBRVLDMAO-AWEZNQCLSA-N 0 3 302.443 3.857 20 70 DHIDHN Cc1ccccc1-c1cccc(CN2CCC(CC(N)=O)CC2)c1 ZINC000159786642 525005282 /nfs/dbraw/zinc/00/52/82/525005282.db2.gz RYRIIBBRMRSWML-UHFFFAOYSA-N 0 3 322.452 3.749 20 70 DHIDHN COc1ccc(Cl)cc1[C@@H](C)NCCOCC(F)(F)F ZINC000159368563 332079719 /nfs/dbraw/zinc/07/97/19/332079719.db2.gz IYWXZZMMKDIXNH-SECBINFHSA-N 0 3 311.731 3.578 20 70 DHIDHN CC(C)C(=O)NCCCN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000160000187 332744566 /nfs/dbraw/zinc/74/45/66/332744566.db2.gz YPTKTGPBUGIASO-NSHDSACASA-N 0 3 317.260 3.806 20 70 DHIDHN CC(C)NC(=O)CN[C@H](C)c1ccc(-c2ccc(F)cc2)s1 ZINC000160961258 333697913 /nfs/dbraw/zinc/69/79/13/333697913.db2.gz ROBWNTOENBMLCO-GFCCVEGCSA-N 0 3 320.433 3.729 20 70 DHIDHN COc1ccc(OC)c([C@H](C)NCCOc2ccc(F)cc2)c1 ZINC000216777699 337226676 /nfs/dbraw/zinc/22/66/76/337226676.db2.gz COJBSZSITFGEIF-ZDUSSCGKSA-N 0 3 319.376 3.573 20 70 DHIDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000217966779 337323672 /nfs/dbraw/zinc/32/36/72/337323672.db2.gz TVARFGJMUXJFLT-LZQZEXGQSA-N 0 3 314.473 3.907 20 70 DHIDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218046096 337324483 /nfs/dbraw/zinc/32/44/83/337324483.db2.gz FODHUZQCBKHSHZ-YYAJDYIMSA-N 0 3 314.473 3.620 20 70 DHIDHN CC(C)S(=O)(=O)CCCN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000160798661 519786583 /nfs/dbraw/zinc/78/65/83/519786583.db2.gz TXEKICLPNCWPIU-MRXNPFEDSA-N 0 3 323.502 3.500 20 70 DHIDHN CCCC1(CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000160798709 519893330 /nfs/dbraw/zinc/89/33/30/519893330.db2.gz GSNKPFMHAYVLMD-UHFFFAOYSA-N 0 3 314.429 3.805 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)c(C)c2)c1 ZINC000160176078 519898884 /nfs/dbraw/zinc/89/88/84/519898884.db2.gz JIYZCWDAVXTBQC-MRXNPFEDSA-N 0 3 310.441 3.904 20 70 DHIDHN CCCO[C@@H]1CCCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000159563497 520272145 /nfs/dbraw/zinc/27/21/45/520272145.db2.gz IGBQTCWJTJPUDS-GOSISDBHSA-N 0 3 303.446 3.849 20 70 DHIDHN CCCCOc1cccc(CN[C@@H](CC)c2cnn(C)c2)c1 ZINC000160815047 520902331 /nfs/dbraw/zinc/90/23/31/520902331.db2.gz LUOIZFVTBAOFGP-SFHVURJKSA-N 0 3 301.434 3.840 20 70 DHIDHN CC[C@H](CN[C@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160322120 522201093 /nfs/dbraw/zinc/20/10/93/522201093.db2.gz GWQCZDAGNRMLEG-UKRRQHHQSA-N 0 3 305.397 3.550 20 70 DHIDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000161066438 522221373 /nfs/dbraw/zinc/22/13/73/522221373.db2.gz UZASJHADPBKSRE-FOIQADDNSA-N 0 3 322.452 3.992 20 70 DHIDHN Cc1cc2cc([C@H](C)NCCCN3CCCC3=O)oc2cc1C ZINC000159487899 525648835 /nfs/dbraw/zinc/64/88/35/525648835.db2.gz BSVKRKPCEHRERG-HNNXBMFYSA-N 0 3 314.429 3.713 20 70 DHIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000160391871 525699495 /nfs/dbraw/zinc/69/94/95/525699495.db2.gz QWDJXHGDPSVRMD-HIFRSBDPSA-N 0 3 305.443 3.711 20 70 DHIDHN c1csc(COc2ccc(OCCN3CCCCC3)cc2)n1 ZINC000161278263 526583235 /nfs/dbraw/zinc/58/32/35/526583235.db2.gz PHWXQQZVMVLGQY-UHFFFAOYSA-N 0 3 318.442 3.587 20 70 DHIDHN CC(C)(N)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000161029877 334883667 /nfs/dbraw/zinc/88/36/67/334883667.db2.gz IVCXOVWXAYEAHU-UHFFFAOYSA-N 0 3 306.475 3.928 20 70 DHIDHN Cc1cccc([C@@H](C)NCc2ccccc2N2CCOCC2)c1 ZINC000161473096 337586626 /nfs/dbraw/zinc/58/66/26/337586626.db2.gz GZLRNUUWHNJVLZ-QGZVFWFLSA-N 0 3 310.441 3.682 20 70 DHIDHN COc1ccc(OC)c([C@H](C)NCCOc2ccccc2C)c1 ZINC000216777266 337905243 /nfs/dbraw/zinc/90/52/43/337905243.db2.gz OJSFOAXVRQNVQX-HNNXBMFYSA-N 0 3 315.413 3.742 20 70 DHIDHN CCC(=O)c1cccc(NC(=O)c2cccc(CN(C)C)c2)c1 ZINC000160720334 338563091 /nfs/dbraw/zinc/56/30/91/338563091.db2.gz GYTYGQMOOIJQIE-UHFFFAOYSA-N 0 3 310.397 3.593 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(CC)cc2)c1 ZINC000160161631 519898513 /nfs/dbraw/zinc/89/85/13/519898513.db2.gz OOQXEZACCXUBKF-OAHLLOKOSA-N 0 3 310.441 3.850 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](C)c2cccc(C)c2C)c1 ZINC000160165310 519898530 /nfs/dbraw/zinc/89/85/30/519898530.db2.gz VTXPCCPDMCPQKD-MRXNPFEDSA-N 0 3 310.441 3.904 20 70 DHIDHN CCN(CCc1nccs1)Cc1ccc(OC(F)F)cc1 ZINC000159382976 521182828 /nfs/dbraw/zinc/18/28/28/521182828.db2.gz PPFNSRVANQIJDE-UHFFFAOYSA-N 0 3 312.385 3.809 20 70 DHIDHN CCc1nc(CN[C@@H](c2cccc(F)c2)C2CCCC2)n[nH]1 ZINC000160482493 522346492 /nfs/dbraw/zinc/34/64/92/522346492.db2.gz OCOAWWSRRHFTKY-QGZVFWFLSA-N 0 3 302.397 3.527 20 70 DHIDHN CCc1nc(CN[C@H](c2ccc(F)cc2)C2CCCC2)n[nH]1 ZINC000160371221 522354382 /nfs/dbraw/zinc/35/43/82/522354382.db2.gz FBRVIQHOQCGDER-KRWDZBQOSA-N 0 3 302.397 3.527 20 70 DHIDHN CCc1nc(CN[C@H](c2cccc(F)c2)C2CCCC2)n[nH]1 ZINC000160482596 522354432 /nfs/dbraw/zinc/35/44/32/522354432.db2.gz OCOAWWSRRHFTKY-KRWDZBQOSA-N 0 3 302.397 3.527 20 70 DHIDHN CC[C@@H](CN[C@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442471 522552728 /nfs/dbraw/zinc/55/27/28/522552728.db2.gz YFUZDFFOGGTFFV-OCCSQVGLSA-N 0 3 307.825 3.582 20 70 DHIDHN CC[C@@H](NC[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161503808 522862087 /nfs/dbraw/zinc/86/20/87/522862087.db2.gz RDDFFYVEECTIJW-RDTXWAMCSA-N 0 3 305.368 3.782 20 70 DHIDHN CC[C@@H](NCc1ccc(C(=O)N(C)C)cc1)c1ccc(F)cc1 ZINC000160709088 522872942 /nfs/dbraw/zinc/87/29/42/522872942.db2.gz QCDVTLVUOTXNIR-GOSISDBHSA-N 0 3 314.404 3.768 20 70 DHIDHN COc1ccc2c(c1)[C@@H](N[C@H](CCCO)c1ccccc1)CC2 ZINC000160742506 525578508 /nfs/dbraw/zinc/57/85/08/525578508.db2.gz NNILDBJMEVDLKN-UXHICEINSA-N 0 3 311.425 3.786 20 70 DHIDHN CSC[C@H](CCO)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000160399059 525700213 /nfs/dbraw/zinc/70/02/13/525700213.db2.gz WLGKHJNGQQYCAS-KOLCDFICSA-N 0 3 308.274 3.758 20 70 DHIDHN O[C@H]1CCCC[C@@H]1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576578 526304276 /nfs/dbraw/zinc/30/42/76/526304276.db2.gz RASDTMWBOFQFAO-OIISXLGYSA-N 0 3 301.430 3.574 20 70 DHIDHN Cn1ncc2c1CCC[C@H]2NCC1(Sc2ccccc2)CC1 ZINC000160508226 527579602 /nfs/dbraw/zinc/57/96/02/527579602.db2.gz GBPGMPLICYOROT-MRXNPFEDSA-N 0 3 313.470 3.712 20 70 DHIDHN C[C@@H](N[C@@H]1CCCSC1)c1ccc(F)cc1OC(F)F ZINC000159644663 332683252 /nfs/dbraw/zinc/68/32/52/332683252.db2.gz OGBQZQNSGDMCLF-MWLCHTKSSA-N 0 3 305.365 3.973 20 70 DHIDHN Cc1c([C@H](C)NCCOCC(C)C)cnn1-c1ccc(F)cc1 ZINC000160691229 333477660 /nfs/dbraw/zinc/47/76/60/333477660.db2.gz MNTUFGCXMSCMKX-AWEZNQCLSA-N 0 3 319.424 3.643 20 70 DHIDHN CC[C@@H](NCC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218207963 337082673 /nfs/dbraw/zinc/08/26/73/337082673.db2.gz WPSSQVOHUQNHPJ-MRXNPFEDSA-N 0 3 308.853 3.639 20 70 DHIDHN COc1ccc(OCCN[C@H](C)c2ccc(F)cc2F)cc1 ZINC000216625980 337223910 /nfs/dbraw/zinc/22/39/10/337223910.db2.gz FZEGFUJAGPNTOK-GFCCVEGCSA-N 0 3 307.340 3.703 20 70 DHIDHN COc1ccc([C@H](C)NCCOc2ccc(F)cc2)cc1F ZINC000216769438 337226606 /nfs/dbraw/zinc/22/66/06/337226606.db2.gz DYLCIKRZFTZYGR-LBPRGKRZSA-N 0 3 307.340 3.703 20 70 DHIDHN CCOc1cccc2cc([C@@H](C)NCCN3CCCCC3)oc21 ZINC000216763350 337226613 /nfs/dbraw/zinc/22/66/13/337226613.db2.gz XNPUZDCHBFOBAH-OAHLLOKOSA-N 0 3 316.445 3.968 20 70 DHIDHN CC1(C)C[C@@H](NCc2csc(-c3cccs3)n2)CCO1 ZINC000160582056 520523423 /nfs/dbraw/zinc/52/34/23/520523423.db2.gz CJUFWUFMUDOXBV-NSHDSACASA-N 0 3 308.472 3.919 20 70 DHIDHN CCCC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160473304 521102994 /nfs/dbraw/zinc/10/29/94/521102994.db2.gz RKKCSSJZWOBACV-DLBZAZTESA-N 0 3 316.424 3.562 20 70 DHIDHN CC[C@@H](NCCCN1CCCC1=O)c1cccc(Cl)c1F ZINC000161508897 522825468 /nfs/dbraw/zinc/82/54/68/522825468.db2.gz FFRNKDHXWCWHKZ-CQSZACIVSA-N 0 3 312.816 3.532 20 70 DHIDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000160376825 523975073 /nfs/dbraw/zinc/97/50/73/523975073.db2.gz BFFYAFNQLAMEHB-UURKPOQGSA-N 0 3 318.505 3.536 20 70 DHIDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000161066718 523999904 /nfs/dbraw/zinc/99/99/04/523999904.db2.gz UZASJHADPBKSRE-YWZLYKJASA-N 0 3 322.452 3.992 20 70 DHIDHN COCCOc1ccc([C@H](C)NCc2ccc(C)s2)cc1 ZINC000160917876 524052561 /nfs/dbraw/zinc/05/25/61/524052561.db2.gz PNROAUGMTFYLDM-AWEZNQCLSA-N 0 3 305.443 3.933 20 70 DHIDHN C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)c1ccco1 ZINC000160013968 525430789 /nfs/dbraw/zinc/43/07/89/525430789.db2.gz MWTCMDLNDAILMA-GFCCVEGCSA-N 0 3 304.356 3.595 20 70 DHIDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(=O)c1ccc(C)cc1 ZINC000161215041 526524629 /nfs/dbraw/zinc/52/46/29/526524629.db2.gz DCOUKKXMIHQWRH-QGZVFWFLSA-N 0 3 311.429 3.745 20 70 DHIDHN CC[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160138451 332764433 /nfs/dbraw/zinc/76/44/33/332764433.db2.gz SKYNHTQULFLAEY-MSOLQXFVSA-N 0 3 300.446 3.661 20 70 DHIDHN COc1cc(OC)c([C@@H](C)N[C@@H]2CCCSC2)cc1Cl ZINC000159631905 332680756 /nfs/dbraw/zinc/68/07/56/332680756.db2.gz NKSHDAPFBMUQQR-GHMZBOCLSA-N 0 3 315.866 3.903 20 70 DHIDHN NC(=O)CC1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000159782888 332705507 /nfs/dbraw/zinc/70/55/07/332705507.db2.gz YZAKDJSOGBPPDS-UHFFFAOYSA-N 0 3 314.454 3.503 20 70 DHIDHN C[C@H](N[C@@H]1CCCC[C@@H]1C)C(=O)Nc1nc2ccccc2s1 ZINC000217644657 337318446 /nfs/dbraw/zinc/31/84/46/337318446.db2.gz DEVAXJYYFVIIGL-RWMBFGLXSA-N 0 3 317.458 3.792 20 70 DHIDHN CC1(C)C[C@H](NCc2csc(-c3ccc(F)cc3)n2)CCO1 ZINC000160464177 338551396 /nfs/dbraw/zinc/55/13/96/338551396.db2.gz HFRLEZQSRBQGRH-CQSZACIVSA-N 0 3 320.433 3.996 20 70 DHIDHN CN(C)[C@@H](CNCc1ccc(Cl)cc1F)c1cccs1 ZINC000160669176 338561948 /nfs/dbraw/zinc/56/19/48/338561948.db2.gz SSEINUSRFZAHNQ-AWEZNQCLSA-N 0 3 312.841 3.933 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)cc2C)c1 ZINC000160188994 519898507 /nfs/dbraw/zinc/89/85/07/519898507.db2.gz ALJBHOGYYZALRH-INIZCTEOSA-N 0 3 310.441 3.904 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](CC)c2ccc(C)cc2)c1 ZINC000160161909 519898672 /nfs/dbraw/zinc/89/86/72/519898672.db2.gz JXGWFZGYYYMNIC-IBGZPJMESA-N 0 3 310.441 3.986 20 70 DHIDHN CCC[C@@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000160844891 520723871 /nfs/dbraw/zinc/72/38/71/520723871.db2.gz HTFILRHTCUOQFD-QGZVFWFLSA-N 0 3 312.413 3.640 20 70 DHIDHN CC[C@H](CN[C@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441591 522200819 /nfs/dbraw/zinc/20/08/19/522200819.db2.gz OEAALQICFWMSAB-CHWSQXEVSA-N 0 3 305.809 3.638 20 70 DHIDHN CC[C@@H](CN[C@@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160314730 522549458 /nfs/dbraw/zinc/54/94/58/522549458.db2.gz SOXXLRZRNSELAI-WFASDCNBSA-N 0 3 317.408 3.741 20 70 DHIDHN CC[C@H](NCCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1 ZINC000160652705 522585795 /nfs/dbraw/zinc/58/57/95/522585795.db2.gz WMNGKKKYQUQVOT-HNNXBMFYSA-N 0 3 317.882 3.594 20 70 DHIDHN O[C@H]1CCCC[C@H]1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576446 526304487 /nfs/dbraw/zinc/30/44/87/526304487.db2.gz RASDTMWBOFQFAO-XIRDDKMYSA-N 0 3 301.430 3.574 20 70 DHIDHN CCCCc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160334311 332785599 /nfs/dbraw/zinc/78/55/99/332785599.db2.gz DIHSDPTVNQILME-RDTXWAMCSA-N 0 3 312.461 3.595 20 70 DHIDHN COc1ccc([C@H](C)NC[C@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417699 332100429 /nfs/dbraw/zinc/10/04/29/332100429.db2.gz CJSHBBMVCYFZBL-KBXCAEBGSA-N 0 3 309.450 3.542 20 70 DHIDHN COc1ccc([C@@H](C)NC[C@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417960 332100478 /nfs/dbraw/zinc/10/04/78/332100478.db2.gz CJSHBBMVCYFZBL-RDTXWAMCSA-N 0 3 309.450 3.542 20 70 DHIDHN CC[C@@H](NCC[S@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160778173 333368347 /nfs/dbraw/zinc/36/83/47/333368347.db2.gz NGZPOGQHACMZPV-XMSQKQJNSA-N 0 3 317.454 3.544 20 70 DHIDHN CC[C@@H](NC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000218171770 337082359 /nfs/dbraw/zinc/08/23/59/337082359.db2.gz ZKLOHINNKWAAGW-FUHWJXTLSA-N 0 3 319.832 3.821 20 70 DHIDHN CC[C@@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000218213505 337082652 /nfs/dbraw/zinc/08/26/52/337082652.db2.gz VVWFWKMFWYQBIB-CZUORRHYSA-N 0 3 308.853 3.639 20 70 DHIDHN CC[C@H](NCC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC000218213699 337082698 /nfs/dbraw/zinc/08/26/98/337082698.db2.gz VVWFWKMFWYQBIB-BBRMVZONSA-N 0 3 308.853 3.639 20 70 DHIDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)N1CCCCC1 ZINC000159536414 338527935 /nfs/dbraw/zinc/52/79/35/338527935.db2.gz SSZDRXAGOYHDGH-CABCVRRESA-N 0 3 320.502 3.541 20 70 DHIDHN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NC1CCCC1 ZINC000159572560 338528475 /nfs/dbraw/zinc/52/84/75/338528475.db2.gz FAGKAKALJLZVHE-LJQANCHMSA-N 0 3 308.425 3.769 20 70 DHIDHN COc1cc(CN[C@H]2CCCc3sccc32)cc2c1OCO2 ZINC000160975567 338573644 /nfs/dbraw/zinc/57/36/44/338573644.db2.gz WCCLQANBXRQFEW-ZDUSSCGKSA-N 0 3 317.410 3.653 20 70 DHIDHN CC(C)[C@@H](N[C@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022833 519799612 /nfs/dbraw/zinc/79/96/12/519799612.db2.gz IPRODEGHEMIJAC-SJKOYZFVSA-N 0 3 318.442 3.962 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H]2c3ccccc3C[C@H]2C)c1 ZINC000160589452 519903050 /nfs/dbraw/zinc/90/30/50/519903050.db2.gz AMTZKTMUXCUQRX-FOIQADDNSA-N 0 3 322.452 3.850 20 70 DHIDHN CCCO[C@H]1CCCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000159563629 520284317 /nfs/dbraw/zinc/28/43/17/520284317.db2.gz IGBQTCWJTJPUDS-SFHVURJKSA-N 0 3 303.446 3.849 20 70 DHIDHN CCOc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000159402190 521374555 /nfs/dbraw/zinc/37/45/55/521374555.db2.gz RNNQZOBSQWJBPZ-PEBXRYMYSA-N 0 3 317.454 3.674 20 70 DHIDHN C[C@@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@H](N)c1ccccc1 ZINC000159642846 524157363 /nfs/dbraw/zinc/15/73/63/524157363.db2.gz XUDRYBMJGRVAPB-DYVFJYSZSA-N 0 3 314.404 3.513 20 70 DHIDHN Cc1ccc(CN[C@@H](C)CC(=O)Nc2cccnc2Cl)s1 ZINC000160902555 524589683 /nfs/dbraw/zinc/58/96/83/524589683.db2.gz KMTGYEISTVLDOU-JTQLQIEISA-N 0 3 323.849 3.612 20 70 DHIDHN Cc1ccc(NC(=O)[C@H](C)c2cccs2)c(CN(C)C)c1 ZINC000160326267 525216226 /nfs/dbraw/zinc/21/62/26/525216226.db2.gz OYFJSYJIRMGAGU-CYBMUJFWSA-N 0 3 302.443 3.860 20 70 DHIDHN COc1ccc2c(c1)[C@H](N[C@@H](CCCO)c1ccccc1)CC2 ZINC000160742096 525591898 /nfs/dbraw/zinc/59/18/98/525591898.db2.gz NNILDBJMEVDLKN-VQTJNVASSA-N 0 3 311.425 3.786 20 70 DHIDHN O=C1CCCN1C[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000160683012 526975884 /nfs/dbraw/zinc/97/58/84/526975884.db2.gz MYOOZXLQRAVRHN-WOJBJXKFSA-N 0 3 320.436 3.627 20 70 DHIDHN OC[C@@H](CN[C@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161405266 527580423 /nfs/dbraw/zinc/58/04/23/527580423.db2.gz ANHOXIBGXJMGCP-PBHICJAKSA-N 0 3 317.429 3.728 20 70 DHIDHN CCSc1ccc([C@H](C)NCCOC[C@@H]2CCCO2)cc1 ZINC000159544118 332656848 /nfs/dbraw/zinc/65/68/48/332656848.db2.gz BEYDLJBYVGYWEB-HOCLYGCPSA-N 0 3 309.475 3.645 20 70 DHIDHN C[C@H](CO)NCc1ccccc1Oc1ccc(F)cc1Cl ZINC000159802567 332707425 /nfs/dbraw/zinc/70/74/25/332707425.db2.gz XBEZOCQWVQHFPR-LLVKDONJSA-N 0 3 309.768 3.742 20 70 DHIDHN C[C@@H](CO)NCc1ccccc1Oc1ccc(F)cc1Cl ZINC000159850354 332715610 /nfs/dbraw/zinc/71/56/10/332715610.db2.gz XBEZOCQWVQHFPR-NSHDSACASA-N 0 3 309.768 3.742 20 70 DHIDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045264 337324508 /nfs/dbraw/zinc/32/45/08/337324508.db2.gz MNSRHCNYZHCIKU-BEFAXECRSA-N 0 3 314.473 3.907 20 70 DHIDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045525 337324554 /nfs/dbraw/zinc/32/45/54/337324554.db2.gz MNSRHCNYZHCIKU-HNAYVOBHSA-N 0 3 314.473 3.907 20 70 DHIDHN Cc1cc(C)c(CN2CCC([C@H](O)C(F)(F)F)CC2)c(C)c1 ZINC000161349950 337582416 /nfs/dbraw/zinc/58/24/16/337582416.db2.gz WGXOFJBYNOMJNJ-INIZCTEOSA-N 0 3 315.379 3.747 20 70 DHIDHN CCCCOc1cccc(CN[C@@H]2CCCc3c2cnn3C)c1 ZINC000160835474 520903578 /nfs/dbraw/zinc/90/35/78/520903578.db2.gz VYEPOXRISOCIPY-GOSISDBHSA-N 0 3 313.445 3.766 20 70 DHIDHN CCCCOc1cccc(CN[C@H](CC)c2cnn(C)c2)c1 ZINC000160815164 520903788 /nfs/dbraw/zinc/90/37/88/520903788.db2.gz LUOIZFVTBAOFGP-GOSISDBHSA-N 0 3 301.434 3.840 20 70 DHIDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000161066610 522220524 /nfs/dbraw/zinc/22/05/24/522220524.db2.gz UZASJHADPBKSRE-QRWLVFNGSA-N 0 3 322.452 3.992 20 70 DHIDHN Cc1cccc(Cl)c1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000160755313 524484034 /nfs/dbraw/zinc/48/40/34/524484034.db2.gz LHVNLKPRJPLHTJ-UHFFFAOYSA-N 0 3 319.836 3.517 20 70 DHIDHN Cc1ccc([C@@H](C)NCCC2CCN(CC(F)(F)F)CC2)o1 ZINC000160037445 525725010 /nfs/dbraw/zinc/72/50/10/525725010.db2.gz HDZGYKPDJDMWQG-CYBMUJFWSA-N 0 3 318.383 3.903 20 70 DHIDHN Cc1ccc(C(=O)N2CCC(N[C@H](C)c3ccco3)CC2)cc1 ZINC000161010351 526084118 /nfs/dbraw/zinc/08/41/18/526084118.db2.gz FEUSZMZXRJIHTP-OAHLLOKOSA-N 0 3 312.413 3.543 20 70 DHIDHN O[C@H]1CCCC[C@H]1CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576317 526304131 /nfs/dbraw/zinc/30/41/31/526304131.db2.gz RASDTMWBOFQFAO-UAGQMJEPSA-N 0 3 301.430 3.574 20 70 DHIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160544228 527195442 /nfs/dbraw/zinc/19/54/42/527195442.db2.gz LGGJNSKZRUNYHB-CJNGLKHVSA-N 0 3 322.412 3.512 20 70 DHIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160353963 527199054 /nfs/dbraw/zinc/19/90/54/527199054.db2.gz KWHNCCJMDDUSDH-CZUORRHYSA-N 0 3 324.428 3.615 20 70 DHIDHN OC[C@H](CN[C@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161405151 527608478 /nfs/dbraw/zinc/60/84/78/527608478.db2.gz ANHOXIBGXJMGCP-YOEHRIQHSA-N 0 3 317.429 3.728 20 70 DHIDHN Cc1ncc([C@H](C)NCCOc2ccc(C(C)C)cc2)c(C)n1 ZINC000160331291 332784390 /nfs/dbraw/zinc/78/43/90/332784390.db2.gz XBTXTZSBEIJAQB-AWEZNQCLSA-N 0 3 313.445 3.946 20 70 DHIDHN COc1ccc([C@H](C)NCCCOc2ccccc2)cc1F ZINC000216768343 332200676 /nfs/dbraw/zinc/20/06/76/332200676.db2.gz XTACJURLUGPMET-AWEZNQCLSA-N 0 3 303.377 3.954 20 70 DHIDHN COc1cc(OC)c([C@H](C)N[C@@H]2CCCSC2)cc1Cl ZINC000159631818 332680765 /nfs/dbraw/zinc/68/07/65/332680765.db2.gz NKSHDAPFBMUQQR-WDEREUQCSA-N 0 3 315.866 3.903 20 70 DHIDHN C[C@H](N[C@H]1CCCSC1)c1ccc(F)cc1OC(F)F ZINC000159644815 332683187 /nfs/dbraw/zinc/68/31/87/332683187.db2.gz OGBQZQNSGDMCLF-ONGXEEELSA-N 0 3 305.365 3.973 20 70 DHIDHN COc1ccc(OC)c([C@H](C)NCCOc2cccc(C)c2)c1 ZINC000216777488 333183608 /nfs/dbraw/zinc/18/36/08/333183608.db2.gz QEJHZUQWOCYOSJ-HNNXBMFYSA-N 0 3 315.413 3.742 20 70 DHIDHN CC[C@@H](NCC[S@@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160777897 333368322 /nfs/dbraw/zinc/36/83/22/333368322.db2.gz NGZPOGQHACMZPV-GCJKJVERSA-N 0 3 317.454 3.544 20 70 DHIDHN Cc1nccn1-c1ccc([C@H](C)NCCOCC(C)C)cc1 ZINC000160698826 333476934 /nfs/dbraw/zinc/47/69/34/333476934.db2.gz JBKJURFUAIUMPH-HNNXBMFYSA-N 0 3 301.434 3.504 20 70 DHIDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046361 337324577 /nfs/dbraw/zinc/32/45/77/337324577.db2.gz CKQGLAWIBAQGCH-KXBFYZLASA-N 0 3 314.473 3.812 20 70 DHIDHN CCc1nc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)n[nH]1 ZINC000160417002 522347979 /nfs/dbraw/zinc/34/79/79/522347979.db2.gz MPOUHXXRRNHHAU-MRXNPFEDSA-N 0 3 304.825 3.652 20 70 DHIDHN CC[C@@H](CN[C@@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330243 522549645 /nfs/dbraw/zinc/54/96/45/522549645.db2.gz GJOUJLJPPARCIV-WFASDCNBSA-N 0 3 306.356 3.868 20 70 DHIDHN C[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cccnc1Cl ZINC000160119177 525445723 /nfs/dbraw/zinc/44/57/23/525445723.db2.gz QOSACLLVZWVHMM-CYBMUJFWSA-N 0 3 321.827 3.657 20 70 DHIDHN Cc1ccc([C@H](C)CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc1 ZINC000159657972 525877933 /nfs/dbraw/zinc/87/79/33/525877933.db2.gz AGGNQYZQKVVUSQ-GJYPPUQNSA-N 0 3 310.441 3.551 20 70 DHIDHN Cn1ncc2c1CCC[C@@H]2NCC1(Sc2ccccc2)CC1 ZINC000160508344 527577604 /nfs/dbraw/zinc/57/76/04/527577604.db2.gz GBPGMPLICYOROT-INIZCTEOSA-N 0 3 313.470 3.712 20 70 DHIDHN COc1ccc([C@@H](C)NC[C@@](C)(O)CCC(C)C)c(OC)c1 ZINC000159417828 332100289 /nfs/dbraw/zinc/10/02/89/332100289.db2.gz CJSHBBMVCYFZBL-KDOFPFPSSA-N 0 3 309.450 3.542 20 70 DHIDHN CCN(CCOc1cccc(Cl)c1)CCc1nccs1 ZINC000159439420 332123785 /nfs/dbraw/zinc/12/37/85/332123785.db2.gz CVXXJSCOGOAPHH-UHFFFAOYSA-N 0 3 310.850 3.740 20 70 DHIDHN Cc1ccc(C(C)(C)C(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000159638463 332681630 /nfs/dbraw/zinc/68/16/30/332681630.db2.gz UMPCZKRGTPZWCE-UHFFFAOYSA-N 0 3 324.468 3.651 20 70 DHIDHN C[C@@H](O)CNCc1ccccc1Oc1ccc(F)cc1Cl ZINC000159781092 332703914 /nfs/dbraw/zinc/70/39/14/332703914.db2.gz NYRAQOOBFOMBIN-LLVKDONJSA-N 0 3 309.768 3.742 20 70 DHIDHN C[C@@H](N[C@@H]1CCCc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000159814923 332708778 /nfs/dbraw/zinc/70/87/78/332708778.db2.gz QQDASJBMBWQRDE-FOIQADDNSA-N 0 3 318.424 3.996 20 70 DHIDHN CC[C@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)N(C)C ZINC000160055996 332753009 /nfs/dbraw/zinc/75/30/09/332753009.db2.gz MKVCWCSUSYBUJD-LJQANCHMSA-N 0 3 310.441 3.652 20 70 DHIDHN COC(=O)CCCN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000217223564 337078071 /nfs/dbraw/zinc/07/80/71/337078071.db2.gz VVPDFGWYUYZVSK-IBGZPJMESA-N 0 3 309.409 3.587 20 70 DHIDHN COC(=O)CCCN(Cc1ccccc1C(F)(F)F)C1CC1 ZINC000217223642 337078108 /nfs/dbraw/zinc/07/81/08/337078108.db2.gz FBOAHLOGGZEVKH-UHFFFAOYSA-N 0 3 315.335 3.623 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000160175947 519898742 /nfs/dbraw/zinc/89/87/42/519898742.db2.gz JIYZCWDAVXTBQC-INIZCTEOSA-N 0 3 310.441 3.904 20 70 DHIDHN CCN(CCC(=O)c1ccc(C)cc1)CCc1nccs1 ZINC000161018915 520994362 /nfs/dbraw/zinc/99/43/62/520994362.db2.gz RGIJSXPYHKDXIO-UHFFFAOYSA-N 0 3 302.443 3.589 20 70 DHIDHN COc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)cc1 ZINC000160093083 525323640 /nfs/dbraw/zinc/32/36/40/525323640.db2.gz BIEDDUUABJQUSP-AWEZNQCLSA-N 0 3 300.402 3.728 20 70 DHIDHN Cc1ccc([C@@H](C)NCc2ccccc2CN2CCOCC2)cc1 ZINC000160500710 525732747 /nfs/dbraw/zinc/73/27/47/525732747.db2.gz NJWGGPXJLJCIIB-GOSISDBHSA-N 0 3 324.468 3.678 20 70 DHIDHN Cn1cc(CN[C@H]2CCCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159782260 527221163 /nfs/dbraw/zinc/22/11/63/527221163.db2.gz SIMYBEWLIGREMM-HNNXBMFYSA-N 0 3 323.362 3.996 20 70 DHIDHN CC[C@@H](C(=O)N(C)Cc1ccccc1-c1ccccc1)N(C)C ZINC000160055868 332752933 /nfs/dbraw/zinc/75/29/33/332752933.db2.gz MKVCWCSUSYBUJD-IBGZPJMESA-N 0 3 310.441 3.652 20 70 DHIDHN CC[C@@H](NCCC(=O)N1CCCCCC1)c1ccc(F)cc1 ZINC000160851296 333670843 /nfs/dbraw/zinc/67/08/43/333670843.db2.gz OHQLMHGXOPGPNT-QGZVFWFLSA-N 0 3 306.425 3.659 20 70 DHIDHN CCc1cccc(CC(=O)Nc2cc(CN(C)C)ccc2C)c1 ZINC000160945534 333693807 /nfs/dbraw/zinc/69/38/07/333693807.db2.gz ZVILSJGTONMSTI-UHFFFAOYSA-N 0 3 310.441 3.800 20 70 DHIDHN CC[C@H](CN[C@@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330379 522196595 /nfs/dbraw/zinc/19/65/95/522196595.db2.gz GJOUJLJPPARCIV-SWLSCSKDSA-N 0 3 306.356 3.868 20 70 DHIDHN CCc1nc(CN[C@@H](CCc2ccccc2)c2ccccc2)n[nH]1 ZINC000160372949 522349896 /nfs/dbraw/zinc/34/98/96/522349896.db2.gz PHIUQORUGJZTAI-SFHVURJKSA-N 0 3 320.440 3.831 20 70 DHIDHN CC[C@@H](CN[C@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441462 522552915 /nfs/dbraw/zinc/55/29/15/522552915.db2.gz OEAALQICFWMSAB-OLZOCXBDSA-N 0 3 305.809 3.638 20 70 DHIDHN C[C@@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@@H](N)c1ccccc1 ZINC000159643125 524155955 /nfs/dbraw/zinc/15/59/55/524155955.db2.gz XUDRYBMJGRVAPB-CXAGYDPISA-N 0 3 314.404 3.513 20 70 DHIDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(Cl)nc1C ZINC000160943361 524389547 /nfs/dbraw/zinc/38/95/47/524389547.db2.gz ONBPCEQZSVOKCT-UHFFFAOYSA-N 0 3 317.820 3.666 20 70 DHIDHN C[C@@H](N[C@@H](C)Cc1cccc(Br)c1)c1cnccn1 ZINC000161403969 525600208 /nfs/dbraw/zinc/60/02/08/525600208.db2.gz QKRFMZULCJCQPN-NWDGAFQWSA-N 0 3 320.234 3.521 20 70 DHIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(-c2ccccc2)o1 ZINC000160392115 525642905 /nfs/dbraw/zinc/64/29/05/525642905.db2.gz QWDJXHGDPSVRMD-UKRRQHHQSA-N 0 3 305.443 3.711 20 70 DHIDHN NC(=O)CC1CCN(Cc2cc(-c3ccccc3)cs2)CC1 ZINC000159827242 526862049 /nfs/dbraw/zinc/86/20/49/526862049.db2.gz DGYSCLSJTUYKIN-UHFFFAOYSA-N 0 3 314.454 3.503 20 70 DHIDHN CC1(C)C[C@@H](NCc2csc(-c3ccccc3)n2)CCO1 ZINC000160538179 332816673 /nfs/dbraw/zinc/81/66/73/332816673.db2.gz KSJAWDGONRWOAU-AWEZNQCLSA-N 0 3 302.443 3.857 20 70 DHIDHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1 ZINC000160623045 332839618 /nfs/dbraw/zinc/83/96/18/332839618.db2.gz YZDAUQXTSMWERK-LJQANCHMSA-N 0 3 314.473 3.933 20 70 DHIDHN COc1ccc([C@@H](C)NCCOc2ccc(F)cc2F)cc1 ZINC000160090430 332759964 /nfs/dbraw/zinc/75/99/64/332759964.db2.gz LHBPEUHTKKIUOB-GFCCVEGCSA-N 0 3 307.340 3.703 20 70 DHIDHN Cc1ccsc1[C@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161105127 333813876 /nfs/dbraw/zinc/81/38/76/333813876.db2.gz QKIZOSVOXJOYKN-NSHDSACASA-N 0 3 308.834 3.999 20 70 DHIDHN CCOC(=O)CCCN[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000216763455 336284785 /nfs/dbraw/zinc/28/47/85/336284785.db2.gz JBLSTNWXKIEBPN-ZDUSSCGKSA-N 0 3 319.401 3.825 20 70 DHIDHN CCOC(=O)CCCN[C@H](C)c1cc2cccc(OCC)c2o1 ZINC000216763500 336284788 /nfs/dbraw/zinc/28/47/88/336284788.db2.gz JBLSTNWXKIEBPN-CYBMUJFWSA-N 0 3 319.401 3.825 20 70 DHIDHN COC(=O)CCCN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000217223557 337078102 /nfs/dbraw/zinc/07/81/02/337078102.db2.gz VVPDFGWYUYZVSK-LJQANCHMSA-N 0 3 309.409 3.587 20 70 DHIDHN COc1ccc(OC)c([C@H](C)NCCCOc2ccccc2)c1 ZINC000216776805 340485472 /nfs/dbraw/zinc/48/54/72/340485472.db2.gz UWLADHWJSPRYCR-HNNXBMFYSA-N 0 3 315.413 3.824 20 70 DHIDHN CC(C)S(=O)(=O)CCCN[C@@H](c1ccccc1)C(C)(C)C ZINC000160961040 519786608 /nfs/dbraw/zinc/78/66/08/519786608.db2.gz LITLOTKCPASBER-INIZCTEOSA-N 0 3 311.491 3.577 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000160579461 519903438 /nfs/dbraw/zinc/90/34/38/519903438.db2.gz AGVUZPGBZWHOGI-LJQANCHMSA-N 0 3 308.425 3.604 20 70 DHIDHN CCCOc1c(CN[C@@H]2CCOC(C)(C)C2)cccc1OCC ZINC000160477107 520293332 /nfs/dbraw/zinc/29/33/32/520293332.db2.gz YBZAHJIYHAYPIP-MRXNPFEDSA-N 0 3 321.461 3.921 20 70 DHIDHN CC1(C)C[C@H](NCc2cc(C(F)(F)F)ccc2F)CCO1 ZINC000160587181 520556469 /nfs/dbraw/zinc/55/64/69/520556469.db2.gz BDRIDDHPFMCWBL-GFCCVEGCSA-N 0 3 305.315 3.892 20 70 DHIDHN CC[C@H](CN[C@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442598 522202220 /nfs/dbraw/zinc/20/22/20/522202220.db2.gz YFUZDFFOGGTFFV-TZMCWYRMSA-N 0 3 307.825 3.582 20 70 DHIDHN CN(C)c1cccc([C@H]2CCCN2Cc2cnc3ccccn23)c1 ZINC000160491939 522289326 /nfs/dbraw/zinc/28/93/26/522289326.db2.gz ZVOYPCHNQWMTLZ-LJQANCHMSA-N 0 3 320.440 3.737 20 70 DHIDHN CC[C@@H](CN[C@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160321981 522552603 /nfs/dbraw/zinc/55/26/03/522552603.db2.gz GWQCZDAGNRMLEG-HIFRSBDPSA-N 0 3 305.397 3.550 20 70 DHIDHN Cc1ccc(NC(=O)[C@@H](C)c2cccs2)c(CN(C)C)c1 ZINC000160326164 525195701 /nfs/dbraw/zinc/19/57/01/525195701.db2.gz OYFJSYJIRMGAGU-ZDUSSCGKSA-N 0 3 302.443 3.860 20 70 DHIDHN COc1ccc([C@H](C)NCc2ccc(C)s2)cc1NC(C)=O ZINC000160934798 525323884 /nfs/dbraw/zinc/32/38/84/525323884.db2.gz LWAYKTYFISVJKW-LBPRGKRZSA-N 0 3 318.442 3.874 20 70 DHIDHN C[C@@H](NCCCN1CCCC1=O)c1cc(Cl)sc1Cl ZINC000159512888 525435545 /nfs/dbraw/zinc/43/55/45/525435545.db2.gz ONOIYYNVUDKOML-SECBINFHSA-N 0 3 321.273 3.718 20 70 DHIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000160282781 525698840 /nfs/dbraw/zinc/69/88/40/525698840.db2.gz HCKYUQCTWZGCRJ-ONGXEEELSA-N 0 3 308.274 3.758 20 70 DHIDHN Cc1ccoc1C(=O)NCCCN[C@H](C)c1ccccc1Cl ZINC000161216804 525785555 /nfs/dbraw/zinc/78/55/55/525785555.db2.gz LXBKASFUCMZXHM-CYBMUJFWSA-N 0 3 320.820 3.712 20 70 DHIDHN Cc1nccn1-c1ccc([C@H](C)NCc2ccc(C)nc2)cc1 ZINC000161294669 527381919 /nfs/dbraw/zinc/38/19/19/527381919.db2.gz SXRATRNLPPXDLC-HNNXBMFYSA-N 0 3 306.413 3.735 20 70 DHIDHN Cc1ccc(-c2cccc(CN3CCC(CC(N)=O)CC3)c2)cc1 ZINC000159802305 332707324 /nfs/dbraw/zinc/70/73/24/332707324.db2.gz PDDZTJMUCPAJIW-UHFFFAOYSA-N 0 3 322.452 3.749 20 70 DHIDHN C/C(=C/c1ccc(Cl)cc1)CNCCOCC(F)(F)F ZINC000159919806 332729710 /nfs/dbraw/zinc/72/97/10/332729710.db2.gz GVOTZGIAGZEXDU-FLIBITNWSA-N 0 3 307.743 3.912 20 70 DHIDHN COc1ccc([C@@H](C)NCCOc2ccc(F)cc2)cc1F ZINC000216769400 337226543 /nfs/dbraw/zinc/22/65/43/337226543.db2.gz DYLCIKRZFTZYGR-GFCCVEGCSA-N 0 3 307.340 3.703 20 70 DHIDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218046171 337324497 /nfs/dbraw/zinc/32/44/97/337324497.db2.gz FODHUZQCBKHSHZ-CYJAXWMASA-N 0 3 314.473 3.620 20 70 DHIDHN CC(C)Oc1ccc(CN[C@H]2CCc3cc(F)ccc32)cn1 ZINC000160033303 519779926 /nfs/dbraw/zinc/77/99/26/519779926.db2.gz PEIWKUSUXRCCSN-KRWDZBQOSA-N 0 3 300.377 3.785 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H]2CCc3ccccc32)c1 ZINC000160579575 519903030 /nfs/dbraw/zinc/90/30/30/519903030.db2.gz AGVUZPGBZWHOGI-IBGZPJMESA-N 0 3 308.425 3.604 20 70 DHIDHN CC1(C)C[C@H](NCc2csc(-c3cccs3)n2)CCO1 ZINC000160581930 520555587 /nfs/dbraw/zinc/55/55/87/520555587.db2.gz CJUFWUFMUDOXBV-LLVKDONJSA-N 0 3 308.472 3.919 20 70 DHIDHN CCN(CCC(=O)Nc1ccc(Cl)cc1)Cc1ccccn1 ZINC000161090801 520982449 /nfs/dbraw/zinc/98/24/49/520982449.db2.gz PVCCTDRQGKNQCH-UHFFFAOYSA-N 0 3 317.820 3.586 20 70 DHIDHN CCCC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1ccc(F)cc1 ZINC000160473181 521244017 /nfs/dbraw/zinc/24/40/17/521244017.db2.gz RKKCSSJZWOBACV-IRXDYDNUSA-N 0 3 316.424 3.562 20 70 DHIDHN CCCN(Cc1cn(C)nc1-c1cccnc1)Cc1ccccc1 ZINC000160476454 521692099 /nfs/dbraw/zinc/69/20/99/521692099.db2.gz WWNQVJFDMMHDBN-UHFFFAOYSA-N 0 3 320.440 3.894 20 70 DHIDHN CC[C@@H](CN[C@@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441224 522551662 /nfs/dbraw/zinc/55/16/62/522551662.db2.gz OEAALQICFWMSAB-STQMWFEESA-N 0 3 305.809 3.638 20 70 DHIDHN COc1ccc(C)cc1[C@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000159978848 523858721 /nfs/dbraw/zinc/85/87/21/523858721.db2.gz NQSSCLPDZPQLLQ-SUMWQHHRSA-N 0 3 305.443 3.623 20 70 DHIDHN C[C@H](NC[C@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483583 525406586 /nfs/dbraw/zinc/40/65/86/525406586.db2.gz XBEKLDGABKYIIZ-SMDDNHRTSA-N 0 3 309.331 3.531 20 70 DHIDHN C[C@@H](NCCCN1CCCC1=O)c1cccc(Cl)c1Cl ZINC000159481895 525434805 /nfs/dbraw/zinc/43/48/05/525434805.db2.gz VYIWOAKUYUZDBF-LLVKDONJSA-N 0 3 315.244 3.657 20 70 DHIDHN C[C@@H](NCCc1ccc(OC(F)(F)F)cc1)c1cncs1 ZINC000161157308 525463040 /nfs/dbraw/zinc/46/30/40/525463040.db2.gz MEPKWEVCRCMWNP-SNVBAGLBSA-N 0 3 316.348 3.935 20 70 DHIDHN C[C@@H](NC[C@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483690 525492702 /nfs/dbraw/zinc/49/27/02/525492702.db2.gz XBEKLDGABKYIIZ-BXUZGUMPSA-N 0 3 309.331 3.531 20 70 DHIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160354067 527197634 /nfs/dbraw/zinc/19/76/34/527197634.db2.gz KWHNCCJMDDUSDH-XJKSGUPXSA-N 0 3 324.428 3.615 20 70 DHIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160544131 527198993 /nfs/dbraw/zinc/19/89/93/527198993.db2.gz LGGJNSKZRUNYHB-CZUORRHYSA-N 0 3 322.412 3.512 20 70 DHIDHN Cn1cc(CN[C@H]2CCCc3sccc32)c(-c2cccnc2)n1 ZINC000160956234 527223538 /nfs/dbraw/zinc/22/35/38/527223538.db2.gz WVZWCGUFPXHIAU-INIZCTEOSA-N 0 3 324.453 3.711 20 70 DHIDHN C[C@@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 ZINC000159868794 332717616 /nfs/dbraw/zinc/71/76/16/332717616.db2.gz MPNZBGSWZLZFLM-ZIAGYGMSSA-N 0 3 310.376 3.818 20 70 DHIDHN Cc1c([C@@H](C)NCCOCC(C)C)cnn1-c1ccc(F)cc1 ZINC000160691093 333477595 /nfs/dbraw/zinc/47/75/95/333477595.db2.gz MNTUFGCXMSCMKX-CQSZACIVSA-N 0 3 319.424 3.643 20 70 DHIDHN Cc1cccc([C@H](C)NCc2ccccc2N2CCOCC2)c1 ZINC000161473219 337586636 /nfs/dbraw/zinc/58/66/36/337586636.db2.gz GZLRNUUWHNJVLZ-KRWDZBQOSA-N 0 3 310.441 3.682 20 70 DHIDHN CCC[C@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)N(C)C ZINC000161495025 337589682 /nfs/dbraw/zinc/58/96/82/337589682.db2.gz FHLHQKOBYCAKEN-BXUZGUMPSA-N 0 3 316.367 3.613 20 70 DHIDHN CC(C)Oc1ccc(CN[C@@H]2CCc3cc(F)ccc32)cn1 ZINC000160033192 519779871 /nfs/dbraw/zinc/77/98/71/519779871.db2.gz PEIWKUSUXRCCSN-QGZVFWFLSA-N 0 3 300.377 3.785 20 70 DHIDHN CC[C@H](CN[C@@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160321855 522199527 /nfs/dbraw/zinc/19/95/27/522199527.db2.gz GWQCZDAGNRMLEG-DZGCQCFKSA-N 0 3 305.397 3.550 20 70 DHIDHN CCn1cc([C@@H](C)NCC2(Sc3ccccc3)CC2)cn1 ZINC000160492182 523455253 /nfs/dbraw/zinc/45/52/53/523455253.db2.gz KIDZTXOZJWWQGX-CQSZACIVSA-N 0 3 301.459 3.879 20 70 DHIDHN C[C@H](NCCCN1CCCC1=O)c1cc(Cl)ccc1Cl ZINC000159576653 525337099 /nfs/dbraw/zinc/33/70/99/525337099.db2.gz PMPPJQZNIRMEPU-NSHDSACASA-N 0 3 315.244 3.657 20 70 DHIDHN CSC[C@H](CCO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000160398935 525699018 /nfs/dbraw/zinc/69/90/18/525699018.db2.gz WLGKHJNGQQYCAS-ONGXEEELSA-N 0 3 308.274 3.758 20 70 DHIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160543917 527197592 /nfs/dbraw/zinc/19/75/92/527197592.db2.gz LGGJNSKZRUNYHB-XJKSGUPXSA-N 0 3 322.412 3.512 20 70 DHIDHN Cn1cc(CN[C@H]2CCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159779133 527223726 /nfs/dbraw/zinc/22/37/26/527223726.db2.gz VJVDJGHULRGICU-AWEZNQCLSA-N 0 3 309.335 3.606 20 70 DHIDHN OC[C@@H](CN[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161405026 527581022 /nfs/dbraw/zinc/58/10/22/527581022.db2.gz ANHOXIBGXJMGCP-RHSMWYFYSA-N 0 3 317.429 3.728 20 70 DHIDHN OC[C@H](CN[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 ZINC000161404895 527607797 /nfs/dbraw/zinc/60/77/97/527607797.db2.gz ANHOXIBGXJMGCP-WMLDXEAASA-N 0 3 317.429 3.728 20 70 DHIDHN Cc1ccc(NC(=O)[C@@H](C)c2ccsc2)c(CN(C)C)c1 ZINC000160326594 332784119 /nfs/dbraw/zinc/78/41/19/332784119.db2.gz GABPRXQOQNXYGH-ZDUSSCGKSA-N 0 3 302.443 3.860 20 70 DHIDHN Cc1ccc([C@@H](C)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000160631599 332840232 /nfs/dbraw/zinc/84/02/32/332840232.db2.gz DFXLTNLJHBPQLL-GOSISDBHSA-N 0 3 324.468 3.678 20 70 DHIDHN CCN(CCCOc1ccccc1C)CCc1nccs1 ZINC000159430012 332111565 /nfs/dbraw/zinc/11/15/65/332111565.db2.gz YITXRHHJRDOALR-UHFFFAOYSA-N 0 3 304.459 3.785 20 70 DHIDHN COc1ccc([C@@H](C)NCCOc2cccc(C)c2)cc1F ZINC000216769181 332201486 /nfs/dbraw/zinc/20/14/86/332201486.db2.gz QHYHAJIDWSFRLT-CQSZACIVSA-N 0 3 303.377 3.872 20 70 DHIDHN Cc1ccccc1[C@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159834215 332713861 /nfs/dbraw/zinc/71/38/61/332713861.db2.gz VIBHJUOHAAWKCM-CVEARBPZSA-N 0 3 306.413 3.988 20 70 DHIDHN CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(F)cc1 ZINC000160705399 333480191 /nfs/dbraw/zinc/48/01/91/333480191.db2.gz IDDVPJUFHRBXHS-MRXNPFEDSA-N 0 3 301.365 3.557 20 70 DHIDHN Cc1cc(C)n2c(CN[C@H]3CCCc4sccc43)cnc2n1 ZINC000160976355 333730391 /nfs/dbraw/zinc/73/03/91/333730391.db2.gz LJOPNIRCFGCORM-HNNXBMFYSA-N 0 3 312.442 3.575 20 70 DHIDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046442 337324474 /nfs/dbraw/zinc/32/44/74/337324474.db2.gz CKQGLAWIBAQGCH-DNVCBOLYSA-N 0 3 314.473 3.812 20 70 DHIDHN CC1(C)C[C@@H](NCc2csc(-c3ccc(F)cc3)n2)CCO1 ZINC000160464304 338551394 /nfs/dbraw/zinc/55/13/94/338551394.db2.gz HFRLEZQSRBQGRH-AWEZNQCLSA-N 0 3 320.433 3.996 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](C)c2sccc2C)c1 ZINC000160178591 519898650 /nfs/dbraw/zinc/89/86/50/519898650.db2.gz DJQXZDZDGZIVJX-ZDUSSCGKSA-N 0 3 302.443 3.657 20 70 DHIDHN CC(C)n1cc([C@H](C)NCC2(c3ccc(F)cc3)CC2)cn1 ZINC000161375176 519977368 /nfs/dbraw/zinc/97/73/68/519977368.db2.gz WYPFYLDDALWBHY-AWEZNQCLSA-N 0 3 301.409 3.986 20 70 DHIDHN CC[C@H](CN[C@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330622 522201249 /nfs/dbraw/zinc/20/12/49/522201249.db2.gz GJOUJLJPPARCIV-IUODEOHRSA-N 0 3 306.356 3.868 20 70 DHIDHN CC[C@@H](CN[C@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160314993 522553888 /nfs/dbraw/zinc/55/38/88/522553888.db2.gz SOXXLRZRNSELAI-DOMZBBRYSA-N 0 3 317.408 3.741 20 70 DHIDHN Cc1cc(CN[C@@H]2CCCc3sccc32)ccc1-n1cncn1 ZINC000160959609 524770940 /nfs/dbraw/zinc/77/09/40/524770940.db2.gz WJRWJSSUCWARJM-MRXNPFEDSA-N 0 3 324.453 3.804 20 70 DHIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000160283144 525641364 /nfs/dbraw/zinc/64/13/64/525641364.db2.gz HCKYUQCTWZGCRJ-MWLCHTKSSA-N 0 3 308.274 3.758 20 70 DHIDHN Cc1ccc([C@H](C)CNC(=O)[C@H](C)[C@H](N)c2ccccc2)cc1 ZINC000159658227 525877267 /nfs/dbraw/zinc/87/72/67/525877267.db2.gz AGGNQYZQKVVUSQ-MDZRGWNJSA-N 0 3 310.441 3.551 20 70 DHIDHN C[C@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@H](N)c1ccccc1 ZINC000159642715 526019397 /nfs/dbraw/zinc/01/93/97/526019397.db2.gz XUDRYBMJGRVAPB-GUYCJALGSA-N 0 3 314.404 3.513 20 70 DHIDHN C[C@@H](c1ccco1)N(C)CCCc1nc(-c2ccccc2)no1 ZINC000159760433 526135752 /nfs/dbraw/zinc/13/57/52/526135752.db2.gz VGPZKURLAMNLQJ-AWEZNQCLSA-N 0 3 311.385 3.955 20 70 DHIDHN Cc1noc(C)c1CN(C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161237482 526500595 /nfs/dbraw/zinc/50/05/95/526500595.db2.gz MLSNYMVBGZDDBT-UHFFFAOYSA-N 0 3 324.428 3.746 20 70 DHIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160354139 527195897 /nfs/dbraw/zinc/19/58/97/527195897.db2.gz KWHNCCJMDDUSDH-CJNGLKHVSA-N 0 3 324.428 3.615 20 70 DHIDHN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccc(-n2ccnn2)cc1 ZINC000159814799 332708770 /nfs/dbraw/zinc/70/87/70/332708770.db2.gz QQDASJBMBWQRDE-MGPUTAFESA-N 0 3 318.424 3.996 20 70 DHIDHN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159833944 332713834 /nfs/dbraw/zinc/71/38/34/332713834.db2.gz VIBHJUOHAAWKCM-HOTGVXAUSA-N 0 3 306.413 3.988 20 70 DHIDHN CC[C@@H](NCC(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218207101 337082668 /nfs/dbraw/zinc/08/26/68/337082668.db2.gz JEFBNDNAXMFREK-MRXNPFEDSA-N 0 3 308.853 3.783 20 70 DHIDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)NCC1CCCCC1 ZINC000218046517 337324488 /nfs/dbraw/zinc/32/44/88/337324488.db2.gz CKQGLAWIBAQGCH-HNAYVOBHSA-N 0 3 314.473 3.812 20 70 DHIDHN CCN(C(=O)CN[C@@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000218066928 337324675 /nfs/dbraw/zinc/32/46/75/337324675.db2.gz LBBDYVHJAAPTQA-FQEVSTJZSA-N 0 3 314.473 3.909 20 70 DHIDHN Cc1cccc([C@H](C)N2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161443207 337584965 /nfs/dbraw/zinc/58/49/65/337584965.db2.gz FENLDPBJUYXFMB-WFASDCNBSA-N 0 3 301.352 3.691 20 70 DHIDHN O[C@H](CNC(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000218681003 340497686 /nfs/dbraw/zinc/49/76/86/340497686.db2.gz HYPQUKGDJHGTHE-NRFANRHFSA-N 0 3 317.432 3.969 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)cc2C)c1 ZINC000160189132 519898803 /nfs/dbraw/zinc/89/88/03/519898803.db2.gz ALJBHOGYYZALRH-MRXNPFEDSA-N 0 3 310.441 3.904 20 70 DHIDHN CC(C)n1cc([C@@H](C)NC[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000160886893 519972191 /nfs/dbraw/zinc/97/21/91/519972191.db2.gz PTKKWMFZGRSFSD-IAGOWNOFSA-N 0 3 314.477 3.635 20 70 DHIDHN CCN(CC(=O)Nc1c(F)cccc1F)C[C@H]1CC=CCC1 ZINC000160242488 520355538 /nfs/dbraw/zinc/35/55/38/520355538.db2.gz ZQAKWCFBJCUPII-ZDUSSCGKSA-N 0 3 308.372 3.582 20 70 DHIDHN CCC[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000160844757 521117500 /nfs/dbraw/zinc/11/75/00/521117500.db2.gz HTFILRHTCUOQFD-KRWDZBQOSA-N 0 3 312.413 3.640 20 70 DHIDHN CN(C)Cc1c2ccccc2oc1C(=O)NCCC1=CCCC1 ZINC000160261996 521888703 /nfs/dbraw/zinc/88/87/03/521888703.db2.gz KUUFZAFCALNENN-UHFFFAOYSA-N 0 3 312.413 3.725 20 70 DHIDHN CC[C@H](CN[C@@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442346 522197816 /nfs/dbraw/zinc/19/78/16/522197816.db2.gz YFUZDFFOGGTFFV-GXTWGEPZSA-N 0 3 307.825 3.582 20 70 DHIDHN CC[C@H](CN[C@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160315092 522200299 /nfs/dbraw/zinc/20/02/99/522200299.db2.gz SOXXLRZRNSELAI-IUODEOHRSA-N 0 3 317.408 3.741 20 70 DHIDHN CC[C@H](NCCCN1CCCC1=O)c1cccc(Cl)c1F ZINC000161508790 522584733 /nfs/dbraw/zinc/58/47/33/522584733.db2.gz FFRNKDHXWCWHKZ-AWEZNQCLSA-N 0 3 312.816 3.532 20 70 DHIDHN Cc1cccc([C@H]2CCCN2C[C@H](O)c2ccc(F)cc2C)n1 ZINC000160359117 524896261 /nfs/dbraw/zinc/89/62/61/524896261.db2.gz HGCCSOAFMXKRSX-MOPGFXCFSA-N 0 3 314.404 3.708 20 70 DHIDHN C[C@H](NCCSc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000160520730 525361146 /nfs/dbraw/zinc/36/11/46/525361146.db2.gz KSROQAZITYZSOZ-QKKBWIMNSA-N 0 3 319.495 3.867 20 70 DHIDHN C[C@H](N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1ccco1 ZINC000161125027 525608024 /nfs/dbraw/zinc/60/80/24/525608024.db2.gz XGKMXEMSDDBTNK-KBPBESRZSA-N 0 3 320.383 3.873 20 70 DHIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000160297248 525702164 /nfs/dbraw/zinc/70/21/64/525702164.db2.gz CAZDXUBEDPLGOJ-HIFRSBDPSA-N 0 3 313.532 3.952 20 70 DHIDHN O[C@H]1CCCC[C@@H]1CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000160576725 526303344 /nfs/dbraw/zinc/30/33/44/526303344.db2.gz RASDTMWBOFQFAO-PVAVHDDUSA-N 0 3 301.430 3.574 20 70 DHIDHN COc1ccc(Cl)cc1[C@H](C)NCCOCC(F)(F)F ZINC000159368461 332079670 /nfs/dbraw/zinc/07/96/70/332079670.db2.gz IYWXZZMMKDIXNH-VIFPVBQESA-N 0 3 311.731 3.578 20 70 DHIDHN C[C@H](N[C@@H]1CCCSC1)c1ccc(F)cc1OC(F)F ZINC000159644556 332683301 /nfs/dbraw/zinc/68/33/01/332683301.db2.gz OGBQZQNSGDMCLF-GXSJLCMTSA-N 0 3 305.365 3.973 20 70 DHIDHN CC[C@H](NCC[S@@](=O)c1ccccc1)c1ccc(OC)cc1 ZINC000160777769 333368221 /nfs/dbraw/zinc/36/82/21/333368221.db2.gz NGZPOGQHACMZPV-AVRDEDQJSA-N 0 3 317.454 3.544 20 70 DHIDHN CC[C@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000218213552 337082683 /nfs/dbraw/zinc/08/26/83/337082683.db2.gz VVWFWKMFWYQBIB-CJNGLKHVSA-N 0 3 308.853 3.639 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000160156917 519898717 /nfs/dbraw/zinc/89/87/17/519898717.db2.gz BCIAUAOTDILYNK-INIZCTEOSA-N 0 3 310.441 3.904 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(CC)cc2)c1 ZINC000160161746 519898905 /nfs/dbraw/zinc/89/89/05/519898905.db2.gz OOQXEZACCXUBKF-HNNXBMFYSA-N 0 3 310.441 3.850 20 70 DHIDHN COCCOc1ccc([C@@H](C)NCc2ccc(C)s2)cc1 ZINC000160917977 524051534 /nfs/dbraw/zinc/05/15/34/524051534.db2.gz PNROAUGMTFYLDM-CQSZACIVSA-N 0 3 305.443 3.933 20 70 DHIDHN Cc1ccc([C@H](C)NCc2ccccc2CN2CCOCC2)cc1 ZINC000160500844 525927356 /nfs/dbraw/zinc/92/73/56/525927356.db2.gz NJWGGPXJLJCIIB-SFHVURJKSA-N 0 3 324.468 3.678 20 70 DHIDHN C[C@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 ZINC000159868430 332717449 /nfs/dbraw/zinc/71/74/49/332717449.db2.gz MPNZBGSWZLZFLM-KBPBESRZSA-N 0 3 310.376 3.818 20 70 DHIDHN CN(C)Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1 ZINC000159849602 338533512 /nfs/dbraw/zinc/53/35/12/338533512.db2.gz SPHJBNGVJZDQON-UHFFFAOYSA-N 0 3 318.420 3.831 20 70 DHIDHN CC(C)[C@@H](N[C@@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022575 519799694 /nfs/dbraw/zinc/79/96/94/519799694.db2.gz IPRODEGHEMIJAC-YVEFUNNKSA-N 0 3 318.442 3.962 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000160589216 519903565 /nfs/dbraw/zinc/90/35/65/519903565.db2.gz AMTZKTMUXCUQRX-MGPUTAFESA-N 0 3 322.452 3.850 20 70 DHIDHN CC(C)n1cc([C@H](C)NC[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000160887277 519977409 /nfs/dbraw/zinc/97/74/09/519977409.db2.gz PTKKWMFZGRSFSD-IRXDYDNUSA-N 0 3 314.477 3.635 20 70 DHIDHN CC(C)n1cc([C@H](C)NC[C@@H](C)N(C)Cc2ccccc2)cn1 ZINC000160887014 519979355 /nfs/dbraw/zinc/97/93/55/519979355.db2.gz PTKKWMFZGRSFSD-SJORKVTESA-N 0 3 314.477 3.635 20 70 DHIDHN CC[C@H](NCc1ccc(C(=O)N(C)C)cc1)c1ccc(F)cc1 ZINC000160708981 522643304 /nfs/dbraw/zinc/64/33/04/522643304.db2.gz QCDVTLVUOTXNIR-SFHVURJKSA-N 0 3 314.404 3.768 20 70 DHIDHN Cc1cccc(C(C)(C)NC(=O)[C@@H](C)[C@H](N)c2ccccc2)c1 ZINC000159644567 524229202 /nfs/dbraw/zinc/22/92/02/524229202.db2.gz HKHPRGQTTHGUEG-YJBOKZPZSA-N 0 3 310.441 3.682 20 70 DHIDHN COc1ccc2c(c1)[C@@H](NCc1ccc(OC(C)C)nc1)CC2 ZINC000160051196 525577399 /nfs/dbraw/zinc/57/73/99/525577399.db2.gz DSDFDWQBVPBGOP-SFHVURJKSA-N 0 3 312.413 3.655 20 70 DHIDHN Cc1ccccc1[C@H](C)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000159811151 332707871 /nfs/dbraw/zinc/70/78/71/332707871.db2.gz MKYMOKPJGOYRJH-FUHWJXTLSA-N 0 3 314.473 3.827 20 70 DHIDHN CC[C@@H](NCC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1 ZINC000218213633 337082666 /nfs/dbraw/zinc/08/26/66/337082666.db2.gz VVWFWKMFWYQBIB-XJKSGUPXSA-N 0 3 308.853 3.639 20 70 DHIDHN CC[C@H](NCC(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218208063 337082675 /nfs/dbraw/zinc/08/26/75/337082675.db2.gz WPSSQVOHUQNHPJ-INIZCTEOSA-N 0 3 308.853 3.639 20 70 DHIDHN C[C@@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218045943 337324608 /nfs/dbraw/zinc/32/46/08/337324608.db2.gz FODHUZQCBKHSHZ-OLMMMNRUSA-N 0 3 314.473 3.620 20 70 DHIDHN Cc1cccc([C@@H](C)N2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161443057 337584987 /nfs/dbraw/zinc/58/49/87/337584987.db2.gz FENLDPBJUYXFMB-DOMZBBRYSA-N 0 3 301.352 3.691 20 70 DHIDHN Cc1cccc([C@H](C)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161443470 337585047 /nfs/dbraw/zinc/58/50/47/337585047.db2.gz FENLDPBJUYXFMB-SWLSCSKDSA-N 0 3 301.352 3.691 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000160636677 519903432 /nfs/dbraw/zinc/90/34/32/519903432.db2.gz QTHRAEHTTGBXQY-MRXNPFEDSA-N 0 3 310.441 3.986 20 70 DHIDHN CC1(C)C[C@H](NCc2nc(-c3ccccc3)cs2)CCO1 ZINC000160578983 520556457 /nfs/dbraw/zinc/55/64/57/520556457.db2.gz WFHDHCBRVLDMAO-CQSZACIVSA-N 0 3 302.443 3.857 20 70 DHIDHN CCOC(CCCNCc1cc(Cl)ccc1F)OCC ZINC000159896672 521627999 /nfs/dbraw/zinc/62/79/99/521627999.db2.gz MRXVRENYAOWBFI-UHFFFAOYSA-N 0 3 303.805 3.748 20 70 DHIDHN CCc1nc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)n[nH]1 ZINC000160371105 522347553 /nfs/dbraw/zinc/34/75/53/522347553.db2.gz FBRVIQHOQCGDER-QGZVFWFLSA-N 0 3 302.397 3.527 20 70 DHIDHN CC[C@H](NCC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000160475487 522572641 /nfs/dbraw/zinc/57/26/41/522572641.db2.gz KQQIETXHBMBVDJ-INIZCTEOSA-N 0 3 301.459 3.786 20 70 DHIDHN C[C@@H](NCCCN1CCCC1=O)c1ccc(-c2ccccc2)o1 ZINC000159573508 525434728 /nfs/dbraw/zinc/43/47/28/525434728.db2.gz OSQRZDLBLCOORJ-OAHLLOKOSA-N 0 3 312.413 3.610 20 70 DHIDHN CSC[C@@H](CCO)N[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160386211 525642602 /nfs/dbraw/zinc/64/26/02/525642602.db2.gz ZMVQRNUIECWKMG-TVQRCGJNSA-N 0 3 308.274 3.758 20 70 DHIDHN CSC[C@@H](CCO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160386340 525642535 /nfs/dbraw/zinc/64/25/35/525642535.db2.gz ZMVQRNUIECWKMG-NOZJJQNGSA-N 0 3 308.274 3.758 20 70 DHIDHN Cc1ccc(SCCN[C@@H](C)c2cnc(C)nc2C)cc1 ZINC000160782833 525659782 /nfs/dbraw/zinc/65/97/82/525659782.db2.gz OWXMPUGFUNMTPB-ZDUSSCGKSA-N 0 3 301.459 3.845 20 70 DHIDHN Cc1ccc(SCCN[C@H](C)c2cnc(C)nc2C)cc1 ZINC000160782953 525660921 /nfs/dbraw/zinc/66/09/21/525660921.db2.gz OWXMPUGFUNMTPB-CYBMUJFWSA-N 0 3 301.459 3.845 20 70 DHIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000160391743 525698666 /nfs/dbraw/zinc/69/86/66/525698666.db2.gz QWDJXHGDPSVRMD-ZFWWWQNUSA-N 0 3 305.443 3.711 20 70 DHIDHN C[C@@](O)(CN[C@@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160075961 525776299 /nfs/dbraw/zinc/77/62/99/525776299.db2.gz SPAYFZRZTBTBPO-IAGOWNOFSA-N 0 3 319.495 3.576 20 70 DHIDHN CC[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160138307 332764470 /nfs/dbraw/zinc/76/44/70/332764470.db2.gz SKYNHTQULFLAEY-ROUUACIJSA-N 0 3 300.446 3.661 20 70 DHIDHN CCN(CCc1nccs1)Cc1ccc(F)c2cccnc12 ZINC000159399490 332088063 /nfs/dbraw/zinc/08/80/63/332088063.db2.gz FJCUWYPQWQLNOE-UHFFFAOYSA-N 0 3 315.417 3.895 20 70 DHIDHN COc1ccc([C@H](C)NCCOc2cccc(C)c2)cc1F ZINC000216769224 332201490 /nfs/dbraw/zinc/20/14/90/332201490.db2.gz QHYHAJIDWSFRLT-AWEZNQCLSA-N 0 3 303.377 3.872 20 70 DHIDHN CC(=O)Nc1cccc([C@H](C)NCCC(=O)c2ccc(C)cc2)c1 ZINC000161437613 519748338 /nfs/dbraw/zinc/74/83/38/519748338.db2.gz SKFDWJBVDVAGKU-HNNXBMFYSA-N 0 3 324.424 3.877 20 70 DHIDHN CC(C)S(=O)(=O)CCCN[C@H](c1ccccc1)C(C)(C)C ZINC000160961170 519786715 /nfs/dbraw/zinc/78/67/15/519786715.db2.gz LITLOTKCPASBER-MRXNPFEDSA-N 0 3 311.491 3.577 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@@H](C)c2cccc(C)c2C)c1 ZINC000160165162 519898711 /nfs/dbraw/zinc/89/87/11/519898711.db2.gz VTXPCCPDMCPQKD-INIZCTEOSA-N 0 3 310.441 3.904 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H](C)c2cccs2)c1 ZINC000160590492 519903314 /nfs/dbraw/zinc/90/33/14/519903314.db2.gz BDRWJQORWFQUIE-CYBMUJFWSA-N 0 3 302.443 3.739 20 70 DHIDHN CCc1nc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)n[nH]1 ZINC000160417139 522356296 /nfs/dbraw/zinc/35/62/96/522356296.db2.gz MPOUHXXRRNHHAU-INIZCTEOSA-N 0 3 304.825 3.652 20 70 DHIDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2CCc3ccccc32)c1 ZINC000161066524 523999937 /nfs/dbraw/zinc/99/99/37/523999937.db2.gz UZASJHADPBKSRE-MGPUTAFESA-N 0 3 322.452 3.992 20 70 DHIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2ccc(F)cc2C)n1 ZINC000160358977 524852500 /nfs/dbraw/zinc/85/25/00/524852500.db2.gz HGCCSOAFMXKRSX-OALUTQOASA-N 0 3 314.404 3.708 20 70 DHIDHN C[C@@H](Cc1cccc(Br)c1)N[C@@H](C)c1cnccn1 ZINC000161403744 524899581 /nfs/dbraw/zinc/89/95/81/524899581.db2.gz QKRFMZULCJCQPN-RYUDHWBXSA-N 0 3 320.234 3.521 20 70 DHIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000160392000 525642277 /nfs/dbraw/zinc/64/22/77/525642277.db2.gz QWDJXHGDPSVRMD-DZGCQCFKSA-N 0 3 305.443 3.711 20 70 DHIDHN Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000161349572 525898349 /nfs/dbraw/zinc/89/83/49/525898349.db2.gz OVQZEWABTIYMCV-JKSUJKDBSA-N 0 3 314.454 3.860 20 70 DHIDHN CC[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1cccs1 ZINC000160757323 333505439 /nfs/dbraw/zinc/50/54/39/333505439.db2.gz LBLAUGLIZIPYKM-HNNXBMFYSA-N 0 3 302.443 3.691 20 70 DHIDHN COc1ccc(OCCN[C@@H]2CCSc3ccccc32)cc1 ZINC000216626172 336263627 /nfs/dbraw/zinc/26/36/27/336263627.db2.gz ZVLRWRSZEGFJQC-QGZVFWFLSA-N 0 3 315.438 3.901 20 70 DHIDHN CC1(C)C[C@@H](NCc2csc(-c3ccsc3)n2)CCO1 ZINC000160608154 520523387 /nfs/dbraw/zinc/52/33/87/520523387.db2.gz YKAARHLBTPORPA-LBPRGKRZSA-N 0 3 308.472 3.919 20 70 DHIDHN CC[C@@H](NCC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000160475621 522820492 /nfs/dbraw/zinc/82/04/92/522820492.db2.gz KQQIETXHBMBVDJ-MRXNPFEDSA-N 0 3 301.459 3.786 20 70 DHIDHN Cc1ccc(CN[C@H](C)CC(=O)Nc2cccnc2Cl)s1 ZINC000160902694 524603416 /nfs/dbraw/zinc/60/34/16/524603416.db2.gz KMTGYEISTVLDOU-SNVBAGLBSA-N 0 3 323.849 3.612 20 70 DHIDHN C[C@H](C1CC1)N(Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000159684205 526207658 /nfs/dbraw/zinc/20/76/58/526207658.db2.gz IVEYBSKTZDDZBM-CYBMUJFWSA-N 0 3 314.454 3.648 20 70 DHIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc3cc(C)c(C)cc3o1)CC2 ZINC000160354272 527196416 /nfs/dbraw/zinc/19/64/16/527196416.db2.gz KWHNCCJMDDUSDH-BBRMVZONSA-N 0 3 324.428 3.615 20 70 DHIDHN COc1ccc([C@H](C)[C@H](C)NCc2cn3c(cccc3C)n2)cc1 ZINC000160322103 332784035 /nfs/dbraw/zinc/78/40/35/332784035.db2.gz NMMOIMSPDASMDT-CVEARBPZSA-N 0 3 323.440 3.933 20 70 DHIDHN C[C@@H](N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccc(F)cc1 ZINC000159868666 332717415 /nfs/dbraw/zinc/71/74/15/332717415.db2.gz MPNZBGSWZLZFLM-KGLIPLIRSA-N 0 3 310.376 3.818 20 70 DHIDHN CC[C@H](NC[C@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000218171835 337082378 /nfs/dbraw/zinc/08/23/78/337082378.db2.gz ZKLOHINNKWAAGW-WMZOPIPTSA-N 0 3 319.832 3.821 20 70 DHIDHN COc1ccc([C@H](C)NCCOc2ccccc2C)cc1F ZINC000216769007 337226583 /nfs/dbraw/zinc/22/65/83/337226583.db2.gz GTIGVIOUPHWJJQ-AWEZNQCLSA-N 0 3 303.377 3.872 20 70 DHIDHN Cc1cccc([C@@H](C)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161443337 337584989 /nfs/dbraw/zinc/58/49/89/337584989.db2.gz FENLDPBJUYXFMB-IUODEOHRSA-N 0 3 301.352 3.691 20 70 DHIDHN CC1(C)C[C@H](NCc2csc(-c3ccsc3)n2)CCO1 ZINC000160608027 520555708 /nfs/dbraw/zinc/55/57/08/520555708.db2.gz YKAARHLBTPORPA-GFCCVEGCSA-N 0 3 308.472 3.919 20 70 DHIDHN CC[C@@H](CN[C@@H](C)c1cnn(CC)c1)Oc1ccccc1F ZINC000160321709 522551257 /nfs/dbraw/zinc/55/12/57/522551257.db2.gz GWQCZDAGNRMLEG-ZFWWWQNUSA-N 0 3 305.397 3.550 20 70 DHIDHN CC[C@H](NC1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1F ZINC000160723824 522558959 /nfs/dbraw/zinc/55/89/59/522558959.db2.gz XMGOPSIRYANCQP-KRWDZBQOSA-N 0 3 324.415 3.653 20 70 DHIDHN C[C@@H](NCCSc1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000160520851 525455205 /nfs/dbraw/zinc/45/52/05/525455205.db2.gz KSROQAZITYZSOZ-SZNDQCEHSA-N 0 3 319.495 3.867 20 70 DHIDHN CSC[C@H](CCO)N[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160385941 525699130 /nfs/dbraw/zinc/69/91/30/525699130.db2.gz ZMVQRNUIECWKMG-ZANVPECISA-N 0 3 308.274 3.758 20 70 DHIDHN c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3CCCO3)n2)c1 ZINC000160844537 526423015 /nfs/dbraw/zinc/42/30/15/526423015.db2.gz ANIJALGTNRJBRJ-INIZCTEOSA-N 0 3 313.401 3.574 20 70 DHIDHN Cc1occc1CN(C)CCCc1nc(-c2ccccc2)no1 ZINC000159569730 526822689 /nfs/dbraw/zinc/82/26/89/526822689.db2.gz VEGGZVHLIJCIGX-UHFFFAOYSA-N 0 3 311.385 3.703 20 70 DHIDHN Cc1ccc(C)c([C@H](C)NCCC(=O)N2CCCCCC2)c1 ZINC000160850745 333670888 /nfs/dbraw/zinc/67/08/88/333670888.db2.gz XPMGRQMHVILYCB-KRWDZBQOSA-N 0 3 302.462 3.747 20 70 DHIDHN CN(C)[C@H](CNCc1ccc(Cl)cc1F)c1cccs1 ZINC000160669301 338561994 /nfs/dbraw/zinc/56/19/94/338561994.db2.gz SSEINUSRFZAHNQ-CQSZACIVSA-N 0 3 312.841 3.933 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](CC)c2ccc(C)cc2)c1 ZINC000160162035 519899621 /nfs/dbraw/zinc/89/96/21/519899621.db2.gz JXGWFZGYYYMNIC-LJQANCHMSA-N 0 3 310.441 3.986 20 70 DHIDHN CCCN(Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000160480056 521680368 /nfs/dbraw/zinc/68/03/68/521680368.db2.gz JBEARKDDNDRHKD-UHFFFAOYSA-N 0 3 306.413 3.884 20 70 DHIDHN CC[C@@H](NC1CCN(C(=O)C(C)C)CC1)c1ccc(F)cc1F ZINC000160723954 522810108 /nfs/dbraw/zinc/81/01/08/522810108.db2.gz XMGOPSIRYANCQP-QGZVFWFLSA-N 0 3 324.415 3.653 20 70 DHIDHN C[C@H](NCCOc1cccc(C(F)(F)F)c1)c1cncs1 ZINC000160493222 525360462 /nfs/dbraw/zinc/36/04/62/525360462.db2.gz DLROWNRLMOOWNZ-JTQLQIEISA-N 0 3 316.348 3.892 20 70 DHIDHN C[C@@H](NCCSc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000160520602 525455150 /nfs/dbraw/zinc/45/51/50/525455150.db2.gz KSROQAZITYZSOZ-SPLOXXLWSA-N 0 3 319.495 3.867 20 70 DHIDHN CSC[C@H](CCO)N[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160386061 525700347 /nfs/dbraw/zinc/70/03/47/525700347.db2.gz ZMVQRNUIECWKMG-RNCFNFMXSA-N 0 3 308.274 3.758 20 70 DHIDHN O=C1CCCN1C[C@H](N[C@H]1CCc2ccccc21)c1ccccc1 ZINC000160683383 526976705 /nfs/dbraw/zinc/97/67/05/526976705.db2.gz MYOOZXLQRAVRHN-PMACEKPBSA-N 0 3 320.436 3.627 20 70 DHIDHN Cn1cc(CN[C@@H]2CCCc3sccc32)c(-c2cccnc2)n1 ZINC000160956103 527221299 /nfs/dbraw/zinc/22/12/99/527221299.db2.gz WVZWCGUFPXHIAU-MRXNPFEDSA-N 0 3 324.453 3.711 20 70 DHIDHN Cn1cc(CN[C@@H]2CCCc3ccccc32)c(C(F)(F)F)n1 ZINC000159779000 527221821 /nfs/dbraw/zinc/22/18/21/527221821.db2.gz VJVDJGHULRGICU-CQSZACIVSA-N 0 3 309.335 3.606 20 70 DHIDHN C[C@H](O)CNCc1ccccc1Oc1ccc(F)cc1Cl ZINC000159780966 332703917 /nfs/dbraw/zinc/70/39/17/332703917.db2.gz NYRAQOOBFOMBIN-NSHDSACASA-N 0 3 309.768 3.742 20 70 DHIDHN Cn1ccnc1CC1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000160667461 334877690 /nfs/dbraw/zinc/87/76/90/334877690.db2.gz OWGHMIZOMLQUOM-UHFFFAOYSA-N 0 3 324.403 3.567 20 70 DHIDHN C[C@H](N[C@H](c1ccccc1)C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000217967350 337323606 /nfs/dbraw/zinc/32/36/06/337323606.db2.gz YUYHTWOEEAGWHM-ILRDRHFLSA-N 0 3 314.473 3.811 20 70 DHIDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045344 337324521 /nfs/dbraw/zinc/32/45/21/337324521.db2.gz MNSRHCNYZHCIKU-KXBFYZLASA-N 0 3 314.473 3.907 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000160589355 519903572 /nfs/dbraw/zinc/90/35/72/519903572.db2.gz AMTZKTMUXCUQRX-QRWLVFNGSA-N 0 3 322.452 3.850 20 70 DHIDHN CC1(C)C[C@@H](NCc2cc(C(F)(F)F)ccc2F)CCO1 ZINC000160587316 520523927 /nfs/dbraw/zinc/52/39/27/520523927.db2.gz BDRIDDHPFMCWBL-LBPRGKRZSA-N 0 3 305.315 3.892 20 70 DHIDHN CCOc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000159402042 521371962 /nfs/dbraw/zinc/37/19/62/521371962.db2.gz RNNQZOBSQWJBPZ-FPTDNZKUSA-N 0 3 317.454 3.674 20 70 DHIDHN C[C@H](NCCN(C)Cc1ccc(F)cc1)c1cccnc1Cl ZINC000160119038 525350699 /nfs/dbraw/zinc/35/06/99/525350699.db2.gz QOSACLLVZWVHMM-ZDUSSCGKSA-N 0 3 321.827 3.657 20 70 DHIDHN C[C@@](O)(CN[C@H]1CSCCc2ccccc21)c1ccsc1 ZINC000160076245 525776605 /nfs/dbraw/zinc/77/66/05/525776605.db2.gz SPAYFZRZTBTBPO-DLBZAZTESA-N 0 3 319.495 3.576 20 70 DHIDHN Cc1ccoc1C(=O)NCCCN[C@@H](C)c1ccccc1Cl ZINC000161216683 525785344 /nfs/dbraw/zinc/78/53/44/525785344.db2.gz LXBKASFUCMZXHM-ZDUSSCGKSA-N 0 3 320.820 3.712 20 70 DHIDHN C[C@H](C(=O)NC(C)(C)c1cccc(F)c1)[C@@H](N)c1ccccc1 ZINC000159642988 526018883 /nfs/dbraw/zinc/01/88/83/526018883.db2.gz XUDRYBMJGRVAPB-SUMWQHHRSA-N 0 3 314.404 3.513 20 70 DHIDHN O=C1CCCN1C[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000160683143 526977600 /nfs/dbraw/zinc/97/76/00/526977600.db2.gz MYOOZXLQRAVRHN-UXHICEINSA-N 0 3 320.436 3.627 20 70 DHIDHN CC[C@@H](COC)N[C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000160022349 332747724 /nfs/dbraw/zinc/74/77/24/332747724.db2.gz YGWNVQWZEDRWAY-HOCLYGCPSA-N 0 3 309.450 3.806 20 70 DHIDHN CCCC1(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000160672290 333472174 /nfs/dbraw/zinc/47/21/74/333472174.db2.gz BJHVOPBFLKNMNH-UHFFFAOYSA-N 0 3 300.446 3.593 20 70 DHIDHN Cc1cc(C)n2c(CN[C@@H]3CCCc4sccc43)cnc2n1 ZINC000160976234 333730297 /nfs/dbraw/zinc/73/02/97/333730297.db2.gz LJOPNIRCFGCORM-OAHLLOKOSA-N 0 3 312.442 3.575 20 70 DHIDHN C[C@H](NC[C@@H](CO)c1ccccc1)c1ccc(F)cc1Cl ZINC000161457981 337586056 /nfs/dbraw/zinc/58/60/56/337586056.db2.gz MGACQOVMZUBNHL-JSGCOSHPSA-N 0 3 307.796 3.906 20 70 DHIDHN CC(C)S(=O)(=O)CCCN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000160798518 519786592 /nfs/dbraw/zinc/78/65/92/519786592.db2.gz TXEKICLPNCWPIU-INIZCTEOSA-N 0 3 323.502 3.500 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](C)c2cc(C)cc(C)c2)c1 ZINC000160157045 519898581 /nfs/dbraw/zinc/89/85/81/519898581.db2.gz BCIAUAOTDILYNK-MRXNPFEDSA-N 0 3 310.441 3.904 20 70 DHIDHN CCCCOc1cccc(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000160835609 520903676 /nfs/dbraw/zinc/90/36/76/520903676.db2.gz VYEPOXRISOCIPY-SFHVURJKSA-N 0 3 313.445 3.766 20 70 DHIDHN CN(C)Cc1ccc(C(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000160433490 521898643 /nfs/dbraw/zinc/89/86/43/521898643.db2.gz BWVMAYPOOWVSIS-INIZCTEOSA-N 0 3 314.454 3.617 20 70 DHIDHN CC[C@H](CN[C@@H](C)c1cnccn1)Oc1ccccc1Cl ZINC000160441353 522198453 /nfs/dbraw/zinc/19/84/53/522198453.db2.gz OEAALQICFWMSAB-QWHCGFSZSA-N 0 3 305.809 3.638 20 70 DHIDHN CC[C@H](CN[C@@H](C)c1cnc(C)nc1C)Oc1ccccc1F ZINC000160314872 522199460 /nfs/dbraw/zinc/19/94/60/522199460.db2.gz SOXXLRZRNSELAI-SWLSCSKDSA-N 0 3 317.408 3.741 20 70 DHIDHN CC[C@@H](NCCCS(=O)(=O)C(C)C)c1ccc(Cl)cc1 ZINC000160652830 522831475 /nfs/dbraw/zinc/83/14/75/522831475.db2.gz WMNGKKKYQUQVOT-OAHLLOKOSA-N 0 3 317.882 3.594 20 70 DHIDHN COc1ccc(C)cc1[C@@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000159978723 523853500 /nfs/dbraw/zinc/85/35/00/523853500.db2.gz NQSSCLPDZPQLLQ-CXAGYDPISA-N 0 3 305.443 3.623 20 70 DHIDHN C[C@@H](NC[C@@H](CO)c1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000161483468 525473012 /nfs/dbraw/zinc/47/30/12/525473012.db2.gz XBEKLDGABKYIIZ-RISCZKNCSA-N 0 3 309.331 3.531 20 70 DHIDHN COc1ccc2c(c1)[C@@H](N[C@@H](CCCO)c1ccccc1)CC2 ZINC000160742228 525579276 /nfs/dbraw/zinc/57/92/76/525579276.db2.gz NNILDBJMEVDLKN-PMACEKPBSA-N 0 3 311.425 3.786 20 70 DHIDHN COc1ccc2c(c1)[C@H](NCc1ccc(OC(C)C)nc1)CC2 ZINC000160051068 525588328 /nfs/dbraw/zinc/58/83/28/525588328.db2.gz DSDFDWQBVPBGOP-GOSISDBHSA-N 0 3 312.413 3.655 20 70 DHIDHN Cc1ccc([C@H](C)NCCC2CCN(CC(F)(F)F)CC2)o1 ZINC000160037576 525918635 /nfs/dbraw/zinc/91/86/35/525918635.db2.gz HDZGYKPDJDMWQG-ZDUSSCGKSA-N 0 3 318.383 3.903 20 70 DHIDHN CC(C)n1cc([C@@H](C)NCCOc2cccc(Cl)c2)cn1 ZINC000160261902 332782345 /nfs/dbraw/zinc/78/23/45/332782345.db2.gz QZWYTEXXHZOTGY-CYBMUJFWSA-N 0 3 307.825 3.847 20 70 DHIDHN Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159833795 332713830 /nfs/dbraw/zinc/71/38/30/332713830.db2.gz VIBHJUOHAAWKCM-JKSUJKDBSA-N 0 3 306.413 3.988 20 70 DHIDHN CCOc1ccc(NC(=O)c2ccc(CN(C)C)cc2)c(C)c1 ZINC000160683498 333476353 /nfs/dbraw/zinc/47/63/53/333476353.db2.gz ZPRBSWZFMIDNFY-UHFFFAOYSA-N 0 3 312.413 3.708 20 70 DHIDHN CCc1c(C)nc2ccccc2c1N1CCC(n2ccnn2)CC1 ZINC000160193523 334868907 /nfs/dbraw/zinc/86/89/07/334868907.db2.gz HMCUASUTFCGUKG-UHFFFAOYSA-N 0 3 321.428 3.539 20 70 DHIDHN CC(C)[C@H](N[C@@H](C)c1cncs1)c1ccc2c(c1)OCCO2 ZINC000161022437 519821489 /nfs/dbraw/zinc/82/14/89/519821489.db2.gz IPRODEGHEMIJAC-SJCJKPOMSA-N 0 3 318.442 3.962 20 70 DHIDHN CCNC(=O)c1cccc(CN[C@H](C)c2sccc2C)c1 ZINC000160178704 519899288 /nfs/dbraw/zinc/89/92/88/519899288.db2.gz DJQXZDZDGZIVJX-CYBMUJFWSA-N 0 3 302.443 3.657 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000160620121 519903410 /nfs/dbraw/zinc/90/34/10/519903410.db2.gz FBSDKBQEIALPOE-HXUWFJFHSA-N 0 3 322.452 3.912 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@H]2CCc3ccc(C)cc32)c1 ZINC000160620246 519903701 /nfs/dbraw/zinc/90/37/01/519903701.db2.gz FBSDKBQEIALPOE-FQEVSTJZSA-N 0 3 322.452 3.912 20 70 DHIDHN Cc1ccc(CN2CCCC2)cc1NC(=O)C1=C(C)OCCC1 ZINC000160348543 524444089 /nfs/dbraw/zinc/44/40/89/524444089.db2.gz DMINAURRKVYJIG-UHFFFAOYSA-N 0 3 314.429 3.614 20 70 DHIDHN COc1ccc2c(c1)[C@H](N[C@H](CCCO)c1ccccc1)CC2 ZINC000160742362 525591575 /nfs/dbraw/zinc/59/15/75/525591575.db2.gz NNILDBJMEVDLKN-WOJBJXKFSA-N 0 3 311.425 3.786 20 70 DHIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000160283015 525643084 /nfs/dbraw/zinc/64/30/84/525643084.db2.gz HCKYUQCTWZGCRJ-GXSJLCMTSA-N 0 3 308.274 3.758 20 70 DHIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000160297371 525700195 /nfs/dbraw/zinc/70/01/95/525700195.db2.gz CAZDXUBEDPLGOJ-ZFWWWQNUSA-N 0 3 313.532 3.952 20 70 DHIDHN Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3ccco3)CC2)cc1 ZINC000161010224 526084265 /nfs/dbraw/zinc/08/42/65/526084265.db2.gz FEUSZMZXRJIHTP-HNNXBMFYSA-N 0 3 312.413 3.543 20 70 DHIDHN CCCC[C@H](COC)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000160496296 332810989 /nfs/dbraw/zinc/81/09/89/332810989.db2.gz PJENHHGWQHSIMD-GOSISDBHSA-N 0 3 319.493 3.613 20 70 DHIDHN CN(C)Cc1ccc(CNC(=O)C2CCC(C)(C)CC2)cc1 ZINC000159639368 332681535 /nfs/dbraw/zinc/68/15/35/332681535.db2.gz DZMJQZDSNYZQOZ-UHFFFAOYSA-N 0 3 302.462 3.581 20 70 DHIDHN CCn1cc([C@H](C)NCCSc2ccc(Cl)cc2)cn1 ZINC000160045144 332752472 /nfs/dbraw/zinc/75/24/72/332752472.db2.gz BINSKGVRZVNTMO-LBPRGKRZSA-N 0 3 309.866 3.999 20 70 DHIDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)C(=O)N(C)C1CCCCC1 ZINC000218045438 337324543 /nfs/dbraw/zinc/32/45/43/337324543.db2.gz MNSRHCNYZHCIKU-DNVCBOLYSA-N 0 3 314.473 3.907 20 70 DHIDHN CN(C)c1cccc([C@@H]2CCCN2Cc2cnc3ccccn23)c1 ZINC000160491809 522285044 /nfs/dbraw/zinc/28/50/44/522285044.db2.gz ZVOYPCHNQWMTLZ-IBGZPJMESA-N 0 3 320.440 3.737 20 70 DHIDHN Cc1cc2cc([C@@H](C)NCCCN3CCCC3=O)oc2cc1C ZINC000159487773 525647613 /nfs/dbraw/zinc/64/76/13/525647613.db2.gz BSVKRKPCEHRERG-OAHLLOKOSA-N 0 3 314.429 3.713 20 70 DHIDHN Cc1ccc([C@@H](C)CNC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc1 ZINC000159657812 525682592 /nfs/dbraw/zinc/68/25/92/525682592.db2.gz AGGNQYZQKVVUSQ-BXWFABGCSA-N 0 3 310.441 3.551 20 70 DHIDHN Cc1ccc([C@@H](C)CNC(=O)[C@H](C)[C@H](N)c2ccccc2)cc1 ZINC000159658119 525683069 /nfs/dbraw/zinc/68/30/69/525683069.db2.gz AGGNQYZQKVVUSQ-FCEWJHQRSA-N 0 3 310.441 3.551 20 70 DHIDHN C[C@@H](c1ccccn1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000160060977 526116083 /nfs/dbraw/zinc/11/60/83/526116083.db2.gz FKHFLWXALLELCV-INIZCTEOSA-N 0 3 318.424 3.513 20 70 DHIDHN C[C@H](c1ccccn1)N1CCN(c2ccnc3ccccc32)CC1 ZINC000160061117 526125335 /nfs/dbraw/zinc/12/53/35/526125335.db2.gz FKHFLWXALLELCV-MRXNPFEDSA-N 0 3 318.424 3.513 20 70 DHIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccc(-c3ccccc3)o1)CC2 ZINC000160544035 527195374 /nfs/dbraw/zinc/19/53/74/527195374.db2.gz LGGJNSKZRUNYHB-BBRMVZONSA-N 0 3 322.412 3.512 20 70 DHIDHN FC(F)(F)c1ccccc1CN(CCn1ccnc1)C1CC1 ZINC000159759556 527687236 /nfs/dbraw/zinc/68/72/36/527687236.db2.gz YOZZRJHQSDYXRE-UHFFFAOYSA-N 0 3 309.335 3.567 20 70 DHIDHN CSC[C@H](CCO)N[C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000160199331 332774777 /nfs/dbraw/zinc/77/47/77/332774777.db2.gz ZQIVRVQEWBYGCI-ZFWWWQNUSA-N 0 3 307.459 3.814 20 70 DHIDHN CCN(CCOc1ccc(SC)cc1)CCc1nccs1 ZINC000159381784 332082021 /nfs/dbraw/zinc/08/20/21/332082021.db2.gz XZZIVTMPJHGUKK-UHFFFAOYSA-N 0 3 322.499 3.808 20 70 DHIDHN Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159834084 332713849 /nfs/dbraw/zinc/71/38/49/332713849.db2.gz VIBHJUOHAAWKCM-HZPDHXFCSA-N 0 3 306.413 3.988 20 70 DHIDHN C[C@@H](N[C@@H](C)c1ccc(F)cc1)c1ccc(-n2ccnn2)cc1 ZINC000159868543 332717309 /nfs/dbraw/zinc/71/73/09/332717309.db2.gz MPNZBGSWZLZFLM-UONOGXRCSA-N 0 3 310.376 3.818 20 70 DHIDHN C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000159963250 332738617 /nfs/dbraw/zinc/73/86/17/332738617.db2.gz BCBMOCORKXDCAL-DGCLKSJQSA-N 0 3 312.335 3.720 20 70 DHIDHN CC(C)C(=O)NCCCN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000159986714 332741693 /nfs/dbraw/zinc/74/16/93/332741693.db2.gz LYQQSFNCVQTEKC-NSHDSACASA-N 0 3 317.260 3.806 20 70 DHIDHN CCN(Cc1ccc(Cl)s1)C[C@@H](O)Cc1ccccc1 ZINC000218751813 333299354 /nfs/dbraw/zinc/29/93/54/333299354.db2.gz FSNOTHNQYVOFJF-AWEZNQCLSA-N 0 3 309.862 3.827 20 70 DHIDHN COC(=O)CCCN(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000217223548 337078052 /nfs/dbraw/zinc/07/80/52/337078052.db2.gz WPPSTDMVUSOLEJ-UHFFFAOYSA-N 0 3 315.335 3.623 20 70 DHIDHN CCOc1cccc2cc([C@H](C)NCCN3CCCCC3)oc21 ZINC000216763395 337226537 /nfs/dbraw/zinc/22/65/37/337226537.db2.gz XNPUZDCHBFOBAH-HNNXBMFYSA-N 0 3 316.445 3.968 20 70 DHIDHN COc1ccc([C@@H](C)NCCOc2ccccc2C)cc1F ZINC000216768966 337226594 /nfs/dbraw/zinc/22/65/94/337226594.db2.gz GTIGVIOUPHWJJQ-CQSZACIVSA-N 0 3 303.377 3.872 20 70 DHIDHN C[C@H](N[C@@H](c1ccccc1)C1CC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000218046014 337324599 /nfs/dbraw/zinc/32/45/99/337324599.db2.gz FODHUZQCBKHSHZ-RCJHGTSTSA-N 0 3 314.473 3.620 20 70 DHIDHN CCN(C(=O)CN[C@H](c1ccccc1)C1CC1)C1CCCCC1 ZINC000218067003 337324730 /nfs/dbraw/zinc/32/47/30/337324730.db2.gz LBBDYVHJAAPTQA-HXUWFJFHSA-N 0 3 314.473 3.909 20 70 DHIDHN CC(C)CC[C@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000217772912 340489933 /nfs/dbraw/zinc/48/99/33/340489933.db2.gz AAGHRXQYOCSJQH-ZDUSSCGKSA-N 0 3 317.882 3.528 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@@H](C)c2cccs2)c1 ZINC000160590379 519903592 /nfs/dbraw/zinc/90/35/92/519903592.db2.gz BDRWJQORWFQUIE-ZDUSSCGKSA-N 0 3 302.443 3.739 20 70 DHIDHN CC(C)n1cc([C@@H](C)NC[C@H](C)N(C)Cc2ccccc2)cn1 ZINC000160887140 519971252 /nfs/dbraw/zinc/97/12/52/519971252.db2.gz PTKKWMFZGRSFSD-DLBZAZTESA-N 0 3 314.477 3.635 20 70 DHIDHN CC[C@@H](CN[C@@H](C)c1cnn(C)c1)Oc1ccccc1Cl ZINC000160442211 522549973 /nfs/dbraw/zinc/54/99/73/522549973.db2.gz YFUZDFFOGGTFFV-JSGCOSHPSA-N 0 3 307.825 3.582 20 70 DHIDHN C[C@@H](NCCOc1cccc(C(F)(F)F)c1)c1cncs1 ZINC000160493348 525455725 /nfs/dbraw/zinc/45/57/25/525455725.db2.gz DLROWNRLMOOWNZ-SNVBAGLBSA-N 0 3 316.348 3.892 20 70 DHIDHN CSC[C@@H](CCO)N[C@@H](C)c1cc(Cl)ccc1Cl ZINC000160399198 525642408 /nfs/dbraw/zinc/64/24/08/525642408.db2.gz WLGKHJNGQQYCAS-GXSJLCMTSA-N 0 3 308.274 3.758 20 70 DHIDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(=O)c1ccc(C)cc1 ZINC000161215179 526515417 /nfs/dbraw/zinc/51/54/17/526515417.db2.gz DCOUKKXMIHQWRH-KRWDZBQOSA-N 0 3 311.429 3.745 20 70 DHIDHN CCCCc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160334703 332785698 /nfs/dbraw/zinc/78/56/98/332785698.db2.gz DIHSDPTVNQILME-KSSFIOAISA-N 0 3 312.461 3.595 20 70 DHIDHN Cc1nc2ccccn2c1CN[C@@H](c1ncccc1C)C(C)C ZINC000160457919 332799629 /nfs/dbraw/zinc/79/96/29/332799629.db2.gz UHXAWNBDYRJHOQ-GOSISDBHSA-N 0 3 308.429 3.833 20 70 DHIDHN CCSc1ccc([C@@H](C)NCCOC[C@@H]2CCCO2)cc1 ZINC000159543977 332656838 /nfs/dbraw/zinc/65/68/38/332656838.db2.gz BEYDLJBYVGYWEB-ZBFHGGJFSA-N 0 3 309.475 3.645 20 70 DHIDHN Cc1ccc(C)c([C@@H](C)NCCC(=O)N2CCCCCC2)c1 ZINC000160850612 333670720 /nfs/dbraw/zinc/67/07/20/333670720.db2.gz XPMGRQMHVILYCB-QGZVFWFLSA-N 0 3 302.462 3.747 20 70 DHIDHN CC[C@@H](NC[C@@H](O)COc1ccccc1)c1ccc(Cl)cc1 ZINC000218171650 337082292 /nfs/dbraw/zinc/08/22/92/337082292.db2.gz ZKLOHINNKWAAGW-SJLPKXTDSA-N 0 3 319.832 3.821 20 70 DHIDHN CCCNC(=O)c1cccc(CN[C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000160589090 519903362 /nfs/dbraw/zinc/90/33/62/519903362.db2.gz AMTZKTMUXCUQRX-YWZLYKJASA-N 0 3 322.452 3.850 20 70 DHIDHN CC(C)n1cc([C@@H](C)NCC2(c3ccc(F)cc3)CC2)cn1 ZINC000161375046 519972929 /nfs/dbraw/zinc/97/29/29/519972929.db2.gz WYPFYLDDALWBHY-CQSZACIVSA-N 0 3 301.409 3.986 20 70 DHIDHN CC[C@@H](CN[C@H](C)c1cncc(F)c1)Oc1ccccc1F ZINC000160330492 522553929 /nfs/dbraw/zinc/55/39/29/522553929.db2.gz GJOUJLJPPARCIV-DOMZBBRYSA-N 0 3 306.356 3.868 20 70 DHIDHN CCn1cc([C@H](C)NCC2(Sc3ccccc3)CC2)cn1 ZINC000160492320 523470601 /nfs/dbraw/zinc/47/06/01/523470601.db2.gz KIDZTXOZJWWQGX-AWEZNQCLSA-N 0 3 301.459 3.879 20 70 DHIDHN COc1ccc(C)cc1[C@@H](C)NC[C@](C)(O)c1ccsc1 ZINC000159978439 523852309 /nfs/dbraw/zinc/85/23/09/523852309.db2.gz NQSSCLPDZPQLLQ-DYVFJYSZSA-N 0 3 305.443 3.623 20 70 DHIDHN C[C@H](Cc1cccc(Br)c1)N[C@H](C)c1cnccn1 ZINC000161404084 524709549 /nfs/dbraw/zinc/70/95/49/524709549.db2.gz QKRFMZULCJCQPN-VXGBXAGGSA-N 0 3 320.234 3.521 20 70 DHIDHN COc1ccc([C@@H](C)NCc2ccc(C)s2)cc1NC(C)=O ZINC000160934922 525155727 /nfs/dbraw/zinc/15/57/27/525155727.db2.gz LWAYKTYFISVJKW-GFCCVEGCSA-N 0 3 318.442 3.874 20 70 DHIDHN C[C@H](NCCCN1CCCC1=O)c1cc(Cl)sc1Cl ZINC000159512760 525335813 /nfs/dbraw/zinc/33/58/13/525335813.db2.gz ONOIYYNVUDKOML-VIFPVBQESA-N 0 3 321.273 3.718 20 70 DHIDHN