smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1CCCCN1C(=O)[C@@H](C)N(CC)Cc1cccs1 ZINC000216829681 336386741 /nfs/dbraw/zinc/38/67/41/336386741.db2.gz DPPOCVGWVLHHJF-CABCVRRESA-N 0 1 308.491 3.750 20 70 DHIDMN C[C@@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1cc2ccccc2o1 ZINC000216689424 337603214 /nfs/dbraw/zinc/60/32/14/337603214.db2.gz PSBCFKAAFRCHPC-SQWLQELKSA-N 0 1 314.429 3.778 20 70 DHIDMN CC(C)(C)c1n[nH]c(SCc2noc(C3CCCCC3)n2)n1 ZINC000159541630 519126988 /nfs/dbraw/zinc/12/69/88/519126988.db2.gz QMQJHCYAPMGGNC-UHFFFAOYSA-N 0 1 321.450 3.825 20 70 DHIDMN CC(C)(C)c1nc(SCc2noc(C3CCCCC3)n2)n[nH]1 ZINC000159541630 519126994 /nfs/dbraw/zinc/12/69/94/519126994.db2.gz QMQJHCYAPMGGNC-UHFFFAOYSA-N 0 1 321.450 3.825 20 70 DHIDMN CCc1nc(CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n[nH]1 ZINC000160630249 522349619 /nfs/dbraw/zinc/34/96/19/522349619.db2.gz YUSQZNZCQZRQMR-NKFCBESUSA-N 0 1 304.825 3.507 20 70 DHIDMN CC(C)CSCCCN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000160032025 332749097 /nfs/dbraw/zinc/74/90/97/332749097.db2.gz HQSNZWQTVUBAHD-OAHLLOKOSA-N 0 1 318.490 3.697 20 70 DHIDMN CC[C@@H](C(=O)Nc1cccc(-c2nnc[nH]2)c1)c1ccc(F)cc1 ZINC000159997858 521870356 /nfs/dbraw/zinc/87/03/56/521870356.db2.gz FVFVGEFXRAOJTG-MRXNPFEDSA-N 0 1 324.359 3.743 20 70 DHIDMN COc1ccccc1[C@@H](C)NCc1ccc(OC(C)C)nc1 ZINC000160057878 524723239 /nfs/dbraw/zinc/72/32/39/524723239.db2.gz KEXZKKKDTWFLQE-CQSZACIVSA-N 0 1 300.402 3.728 20 70 DHIDMN C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccco1 ZINC000160161629 525530416 /nfs/dbraw/zinc/53/04/16/525530416.db2.gz UHXZKAZCJUKXAJ-STQMWFEESA-N 0 1 313.401 3.975 20 70 DHIDMN C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000159797956 525548867 /nfs/dbraw/zinc/54/88/67/525548867.db2.gz GIKOSPPKIXCMKC-SECBINFHSA-N 0 1 317.742 3.943 20 70 DHIDMN C[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701354 525596396 /nfs/dbraw/zinc/59/63/96/525596396.db2.gz ZPVUNJPEBYMEPA-GOEBONIOSA-N 0 1 314.454 3.762 20 70 DHIDMN Fc1ccc(CN(CCc2ccccn2)Cc2ccccn2)cc1 ZINC000160321622 526329436 /nfs/dbraw/zinc/32/94/36/526329436.db2.gz NJSHAZCHUGETAG-UHFFFAOYSA-N 0 1 321.399 3.861 20 70 DHIDMN COc1ccc(CNCc2cc(F)cc(Cl)c2)c(OC)c1 ZINC000160937469 331675705 /nfs/dbraw/zinc/67/57/05/331675705.db2.gz ZLXMBOYOGASLDY-UHFFFAOYSA-N 0 1 309.768 3.786 20 70 DHIDMN Cc1ccc(C)c([C@@H](C)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000159794900 332705385 /nfs/dbraw/zinc/70/53/85/332705385.db2.gz VNIOLJZIMVOVEU-GFCCVEGCSA-N 0 1 311.351 3.907 20 70 DHIDMN CC(C)NC(=O)CN[C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000160999232 333777269 /nfs/dbraw/zinc/77/72/69/333777269.db2.gz HNYNBBOIUAXEEO-AWEZNQCLSA-N 0 1 320.502 3.897 20 70 DHIDMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N(CC)Cc1cccs1 ZINC000216829717 336386819 /nfs/dbraw/zinc/38/68/19/336386819.db2.gz DPPOCVGWVLHHJF-LSDHHAIUSA-N 0 1 308.491 3.750 20 70 DHIDMN CCc1nc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)n[nH]1 ZINC000160634079 522355699 /nfs/dbraw/zinc/35/56/99/522355699.db2.gz JTRPDDGHNFHGKM-HNNXBMFYSA-N 0 1 324.350 3.627 20 70 DHIDMN CCc1nn(C)c(Cl)c1CN[C@@H]1CCCc2sccc21 ZINC000160958563 522666913 /nfs/dbraw/zinc/66/69/13/522666913.db2.gz HSUPAJZHZZUFNG-CYBMUJFWSA-N 0 1 309.866 3.865 20 70 DHIDMN COc1cc(OC)c([C@@H](C)NCc2ccc(C)nc2)cc1Cl ZINC000161314521 522828832 /nfs/dbraw/zinc/82/88/32/522828832.db2.gz VVTOEMXHRJRXDC-GFCCVEGCSA-N 0 1 320.820 3.911 20 70 DHIDMN C[C@@H](NCc1ccc(N2CCCCCC2)nc1)c1cncs1 ZINC000160528812 525525948 /nfs/dbraw/zinc/52/59/48/525525948.db2.gz DAUVTNRQTOQRRL-CQSZACIVSA-N 0 1 316.474 3.769 20 70 DHIDMN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000160163451 525531974 /nfs/dbraw/zinc/53/19/74/525531974.db2.gz HTTWDEVBDPBCSY-STQMWFEESA-N 0 1 300.358 3.648 20 70 DHIDMN Cc1nc(CCN[C@@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000160263123 526828018 /nfs/dbraw/zinc/82/80/18/526828018.db2.gz OMMRNILRAAOYRL-LBPRGKRZSA-N 0 1 313.426 4.000 20 70 DHIDMN Cc1nc(CCN[C@H](C)c2ncc(-c3ccccc3)o2)cs1 ZINC000160263265 526828576 /nfs/dbraw/zinc/82/85/76/526828576.db2.gz OMMRNILRAAOYRL-GFCCVEGCSA-N 0 1 313.426 4.000 20 70 DHIDMN CCCn1ccc2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc21 ZINC000161281406 334887868 /nfs/dbraw/zinc/88/78/68/334887868.db2.gz GMSLNXWVMNXFQA-SFHVURJKSA-N 0 1 321.424 3.560 20 70 DHIDMN CCN(Cc1cccs1)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000216681315 336396267 /nfs/dbraw/zinc/39/62/67/336396267.db2.gz OKYOVCMDYAHCGX-OAHLLOKOSA-N 0 1 320.502 3.965 20 70 DHIDMN CCCCCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C(C)C ZINC000161510976 520145598 /nfs/dbraw/zinc/14/55/98/520145598.db2.gz KIAZVIZEYDGPES-UHFFFAOYSA-N 0 1 300.406 3.513 20 70 DHIDMN CCc1nc(CN[C@@H](c2ccccc2F)C2CCCC2)n[nH]1 ZINC000160497347 522346672 /nfs/dbraw/zinc/34/66/72/522346672.db2.gz JNQDITHWIDEXBI-QGZVFWFLSA-N 0 1 302.397 3.527 20 70 DHIDMN CCc1nc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)n[nH]1 ZINC000160757790 522346809 /nfs/dbraw/zinc/34/68/09/522346809.db2.gz QAYKRCJRTVONKU-OAHLLOKOSA-N 0 1 310.804 3.647 20 70 DHIDMN CCc1nn(C)c(Cl)c1CN[C@H]1CCCc2sccc21 ZINC000160958695 522668351 /nfs/dbraw/zinc/66/83/51/522668351.db2.gz HSUPAJZHZZUFNG-ZDUSSCGKSA-N 0 1 309.866 3.865 20 70 DHIDMN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2ccc(F)cc2F)n1 ZINC000160410409 524850434 /nfs/dbraw/zinc/85/04/34/524850434.db2.gz HVNNZZNVIMVPIC-ROUUACIJSA-N 0 1 318.367 3.539 20 70 DHIDMN Cc1c(Cl)c(CN2CCC(C)(O)CC2)nc2ccccc12 ZINC000161191220 525743837 /nfs/dbraw/zinc/74/38/37/525743837.db2.gz HUESMLWYISWSFY-UHFFFAOYSA-N 0 1 304.821 3.543 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)CC[C@@H]3CCCCO3)c2C)o1 ZINC000161409674 525790329 /nfs/dbraw/zinc/79/03/29/525790329.db2.gz IGDXDBKIUYQZTG-ZDUSSCGKSA-N 0 1 317.389 3.574 20 70 DHIDMN C[C@H](NCCOc1ccccc1-c1ccccc1)c1cnccn1 ZINC000161091083 333806192 /nfs/dbraw/zinc/80/61/92/333806192.db2.gz GDVKYRBBXMWNDZ-INIZCTEOSA-N 0 1 319.408 3.873 20 70 DHIDMN CCCn1ccc2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc21 ZINC000161281769 337578557 /nfs/dbraw/zinc/57/85/57/337578557.db2.gz GMSLNXWVMNXFQA-GOSISDBHSA-N 0 1 321.424 3.560 20 70 DHIDMN C[C@@H](c1cccc(F)c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161452890 337585859 /nfs/dbraw/zinc/58/58/59/337585859.db2.gz BMJBGTHGSGBQGW-HZMBPMFUSA-N 0 1 305.315 3.522 20 70 DHIDMN CC(C)Oc1ccc(CN[C@H]2CCCOc3ccccc32)cn1 ZINC000160081671 519779947 /nfs/dbraw/zinc/77/99/47/519779947.db2.gz FWDUUPBBAYJIGI-KRWDZBQOSA-N 0 1 312.413 3.872 20 70 DHIDMN CCN(c1ccc(NC2CCC(NC(C)=O)CC2)cc1)C(C)C ZINC000161142636 521489976 /nfs/dbraw/zinc/48/99/76/521489976.db2.gz FUZXPCZWAOXEKC-UHFFFAOYSA-N 0 1 317.477 3.781 20 70 DHIDMN CCc1nc(CN[C@@H](c2oc3ccccc3c2C)C(C)C)n[nH]1 ZINC000160426564 522349332 /nfs/dbraw/zinc/34/93/32/522349332.db2.gz QWPATDVCZGFERK-QGZVFWFLSA-N 0 1 312.417 3.909 20 70 DHIDMN CC[C@](C)(NCCC(=O)c1ccc(C)cc1)c1nccs1 ZINC000160608672 523485825 /nfs/dbraw/zinc/48/58/25/523485825.db2.gz HMTKAKMIVRMBNE-KRWDZBQOSA-N 0 1 302.443 3.939 20 70 DHIDMN C[C@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cncs1 ZINC000160481039 525444321 /nfs/dbraw/zinc/44/43/21/525444321.db2.gz IPMNPLWZEQQYFX-AWEZNQCLSA-N 0 1 316.474 3.625 20 70 DHIDMN C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000159797827 525475567 /nfs/dbraw/zinc/47/55/67/525475567.db2.gz GIKOSPPKIXCMKC-VIFPVBQESA-N 0 1 317.742 3.943 20 70 DHIDMN Cc1ccncc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160410384 525765457 /nfs/dbraw/zinc/76/54/57/525765457.db2.gz BEPHOVHBKYQDOW-UHFFFAOYSA-N 0 1 310.444 3.550 20 70 DHIDMN CC(C)CSCCCN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160031877 332749142 /nfs/dbraw/zinc/74/91/42/332749142.db2.gz HQSNZWQTVUBAHD-HNNXBMFYSA-N 0 1 318.490 3.697 20 70 DHIDMN Cc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)cc(C)c1F ZINC000161277216 337578008 /nfs/dbraw/zinc/57/80/08/337578008.db2.gz VHJSHRLERDULRG-CQSZACIVSA-N 0 1 320.433 3.537 20 70 DHIDMN CC(C)Oc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cn1 ZINC000160075945 519779807 /nfs/dbraw/zinc/77/98/07/519779807.db2.gz QMNLWQJZQVXTRC-LBPRGKRZSA-N 0 1 306.356 3.998 20 70 DHIDMN CCn1nccc1CN[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159927549 523728789 /nfs/dbraw/zinc/72/87/89/523728789.db2.gz NWLNLFBDJUPJAP-NSHDSACASA-N 0 1 313.323 3.652 20 70 DHIDMN Cc1cc(C)n(-c2ccccc2CN[C@@H](C)c2ccccn2)n1 ZINC000159379599 524495954 /nfs/dbraw/zinc/49/59/54/524495954.db2.gz VTNSZHZOYBKZFT-INIZCTEOSA-N 0 1 306.413 3.735 20 70 DHIDMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)c2ccc3ccccc3c2)n[nH]1 ZINC000161177649 524833528 /nfs/dbraw/zinc/83/35/28/524833528.db2.gz RRHZOJKVWZBIEZ-ZFWWWQNUSA-N 0 1 321.424 3.722 20 70 DHIDMN CCCC(=O)Nc1cccc(CN[C@@H](C)c2cncc(F)c2)c1 ZINC000159921697 332730773 /nfs/dbraw/zinc/73/07/73/332730773.db2.gz JHPKZUHRHBFSNU-ZDUSSCGKSA-N 0 1 315.392 3.810 20 70 DHIDMN O=C(CN[C@@H]1CCc2cc(F)ccc21)Nc1ccc(Cl)cc1 ZINC000161098544 333807389 /nfs/dbraw/zinc/80/73/89/333807389.db2.gz CYFIJWCCQLGZJU-MRXNPFEDSA-N 0 1 318.779 3.695 20 70 DHIDMN Cc1cc(F)cc(NC(=O)c2ccc(Br)c(O)c2)c1 ZINC000160659922 338561419 /nfs/dbraw/zinc/56/14/19/338561419.db2.gz JXXASROMYWYUKX-UHFFFAOYSA-N 0 1 324.149 3.855 20 70 DHIDMN CCCN(CCC)C(=O)CN[C@H](C)c1cc2ccccc2o1 ZINC000216697282 340483244 /nfs/dbraw/zinc/48/32/44/340483244.db2.gz FUQGHXAOGNKWTI-CQSZACIVSA-N 0 1 302.418 3.732 20 70 DHIDMN CCc1nc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n[nH]1 ZINC000160630365 522355333 /nfs/dbraw/zinc/35/53/33/522355333.db2.gz YUSQZNZCQZRQMR-YNZJMPHRSA-N 0 1 304.825 3.507 20 70 DHIDMN CCc1nc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)n[nH]1 ZINC000160757894 522356016 /nfs/dbraw/zinc/35/60/16/522356016.db2.gz QAYKRCJRTVONKU-HNNXBMFYSA-N 0 1 310.804 3.647 20 70 DHIDMN C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000160168913 332768536 /nfs/dbraw/zinc/76/85/36/332768536.db2.gz XYZROWKTIOUPSX-GUYCJALGSA-N 0 1 320.864 3.924 20 70 DHIDMN CN(Cc1csc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159457140 523522371 /nfs/dbraw/zinc/52/23/71/523522371.db2.gz YWQRENCNISMIIE-BBRMVZONSA-N 0 1 320.433 3.542 20 70 DHIDMN C[C@@H](N[C@@H](C)c1ccco1)c1ccc(N2CCOC2=O)cc1 ZINC000160163579 525617862 /nfs/dbraw/zinc/61/78/62/525617862.db2.gz HTTWDEVBDPBCSY-OLZOCXBDSA-N 0 1 300.358 3.648 20 70 DHIDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccco1 ZINC000160162002 525660534 /nfs/dbraw/zinc/66/05/34/525660534.db2.gz UHXZKAZCJUKXAJ-CHWSQXEVSA-N 0 1 313.401 3.975 20 70 DHIDMN CCc1nc(CNC2(c3cccc(C(F)(F)F)c3)CCC2)n[nH]1 ZINC000160473810 522339593 /nfs/dbraw/zinc/33/95/93/522339593.db2.gz JZRMCUFXVLJGKK-UHFFFAOYSA-N 0 1 324.350 3.555 20 70 DHIDMN CCc1nc(CN[C@H](Cc2ccccc2)c2ccccc2F)n[nH]1 ZINC000160462783 522355570 /nfs/dbraw/zinc/35/55/70/522355570.db2.gz WKAIYCGKMUKUQL-QGZVFWFLSA-N 0 1 324.403 3.580 20 70 DHIDMN CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc2[nH]cnc21 ZINC000159647340 522975405 /nfs/dbraw/zinc/97/54/05/522975405.db2.gz HFKPMGHCNNNCNH-MRXNPFEDSA-N 0 1 308.385 3.571 20 70 DHIDMN C[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)c1cncs1 ZINC000160481178 525526388 /nfs/dbraw/zinc/52/63/88/525526388.db2.gz IPMNPLWZEQQYFX-CQSZACIVSA-N 0 1 316.474 3.625 20 70 DHIDMN Cc1nc(C)c(CN2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000160461970 526716486 /nfs/dbraw/zinc/71/64/86/526716486.db2.gz HIXYJHKJAZMMAU-AWEZNQCLSA-N 0 1 316.426 3.826 20 70 DHIDMN CC(=Cc1ccccc1Cl)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000160154919 518447222 /nfs/dbraw/zinc/44/72/22/518447222.db2.gz UDDHJQXHJNOECS-OBIHZWKSSA-N 0 1 317.820 3.522 20 70 DHIDMN CCCCOc1cccc(CN[C@@H](C)c2cnn(CC)c2)c1 ZINC000160814261 520902750 /nfs/dbraw/zinc/90/27/50/520902750.db2.gz BOWCTMACAKLEJT-HNNXBMFYSA-N 0 1 301.434 3.933 20 70 DHIDMN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC000160410795 524851472 /nfs/dbraw/zinc/85/14/72/524851472.db2.gz DQBSLLLGJKTBHZ-IRXDYDNUSA-N 0 1 318.367 3.539 20 70 DHIDMN C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701474 525666719 /nfs/dbraw/zinc/66/67/19/525666719.db2.gz ZPVUNJPEBYMEPA-GDBMZVCRSA-N 0 1 314.454 3.762 20 70 DHIDMN CC[C@H](N[C@H](C)C(=O)N1CCC(C)CC1)c1ccc(F)cc1F ZINC000161024646 333782132 /nfs/dbraw/zinc/78/21/32/333782132.db2.gz HZWALBQZFMXVGS-DYVFJYSZSA-N 0 1 324.415 3.653 20 70 DHIDMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(CC)Cc1cccs1 ZINC000216829645 336386790 /nfs/dbraw/zinc/38/67/90/336386790.db2.gz DPPOCVGWVLHHJF-HUUCEWRRSA-N 0 1 308.491 3.750 20 70 DHIDMN CC(C)Oc1ccc(CN[C@@H]2CCCOc3ccccc32)cn1 ZINC000160081534 519779866 /nfs/dbraw/zinc/77/98/66/519779866.db2.gz FWDUUPBBAYJIGI-QGZVFWFLSA-N 0 1 312.413 3.872 20 70 DHIDMN CC[C@H](C(=O)Nc1cccc(CSC(C)C)c1C)N(C)C ZINC000160429071 523802461 /nfs/dbraw/zinc/80/24/61/523802461.db2.gz AXDOSNBNGZWLKI-MRXNPFEDSA-N 0 1 308.491 3.915 20 70 DHIDMN COCCOc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1OC ZINC000160183600 524051583 /nfs/dbraw/zinc/05/15/83/524051583.db2.gz FOGHIYWZKJPTMC-ZIAGYGMSSA-N 0 1 319.401 3.725 20 70 DHIDMN Cc1cccc([C@H]2CCCN2C[C@H](O)c2c(F)cccc2F)n1 ZINC000160410938 524895353 /nfs/dbraw/zinc/89/53/53/524895353.db2.gz DQBSLLLGJKTBHZ-SJORKVTESA-N 0 1 318.367 3.539 20 70 DHIDMN C[C@H](NCc1ccc(N2CCCCCC2)nc1)c1cncs1 ZINC000160528709 525444366 /nfs/dbraw/zinc/44/43/66/525444366.db2.gz DAUVTNRQTOQRRL-AWEZNQCLSA-N 0 1 316.474 3.769 20 70 DHIDMN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000160163719 525609400 /nfs/dbraw/zinc/60/94/00/525609400.db2.gz HTTWDEVBDPBCSY-QWHCGFSZSA-N 0 1 300.358 3.648 20 70 DHIDMN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccco1 ZINC000160163843 525660752 /nfs/dbraw/zinc/66/07/52/525660752.db2.gz HTTWDEVBDPBCSY-CHWSQXEVSA-N 0 1 300.358 3.648 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3sc(C)nc3C)c2C)o1 ZINC000161435064 525789890 /nfs/dbraw/zinc/78/98/90/525789890.db2.gz YOPMSVFTNIMZKN-UHFFFAOYSA-N 0 1 316.386 3.612 20 70 DHIDMN C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1ccc(Cl)cc1 ZINC000160168784 332768492 /nfs/dbraw/zinc/76/84/92/332768492.db2.gz XYZROWKTIOUPSX-CXAGYDPISA-N 0 1 320.864 3.924 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@@H](C)c3ccccc3)n2)o1 ZINC000160423610 333342719 /nfs/dbraw/zinc/34/27/19/333342719.db2.gz AKMPXNKTZWNEAZ-LLVKDONJSA-N 0 1 310.357 3.505 20 70 DHIDMN CC(C)Oc1ccccc1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160438650 333343172 /nfs/dbraw/zinc/34/31/72/333343172.db2.gz FUBAJPRLHGRURR-UHFFFAOYSA-N 0 1 322.368 3.511 20 70 DHIDMN CCc1nc(CN[C@@H](C)c2ccc(SC(C)C)cc2)n[nH]1 ZINC000160409863 522347219 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DHIDMN CCc1nc(CN[C@H](C)c2ccc(SC(C)C)cc2)n[nH]1 ZINC000160409978 522351420 /nfs/dbraw/zinc/35/14/20/522351420.db2.gz BWOANUVCUNGAGE-GFCCVEGCSA-N 0 1 304.463 3.718 20 70 DHIDMN CCn1cc([C@@H](C)NCc2c(C)nn(-c3ccccc3)c2C)cn1 ZINC000159831506 523455350 /nfs/dbraw/zinc/45/53/50/523455350.db2.gz YGZOMCKWVQRMNE-CQSZACIVSA-N 0 1 323.444 3.556 20 70 DHIDMN COc1ccccc1[C@H](C)NCc1ccc(OC(C)C)nc1 ZINC000160057740 524779487 /nfs/dbraw/zinc/77/94/87/524779487.db2.gz KEXZKKKDTWFLQE-AWEZNQCLSA-N 0 1 300.402 3.728 20 70 DHIDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccco1 ZINC000160161868 525609062 /nfs/dbraw/zinc/60/90/62/525609062.db2.gz UHXZKAZCJUKXAJ-QWHCGFSZSA-N 0 1 313.401 3.975 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)CC[C@@H]3CC[C@@H](C)O3)c2C)o1 ZINC000161372001 525790187 /nfs/dbraw/zinc/79/01/87/525790187.db2.gz AHYMCARJXBBHCI-MFKMUULPSA-N 0 1 317.389 3.573 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccn3C(C)C)c2C)o1 ZINC000161465150 525790603 /nfs/dbraw/zinc/79/06/03/525790603.db2.gz 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CCc1nc(CN[C@H](c2ccccc2F)C2CCCC2)n[nH]1 ZINC000160497469 522356103 /nfs/dbraw/zinc/35/61/03/522356103.db2.gz JNQDITHWIDEXBI-KRWDZBQOSA-N 0 1 302.397 3.527 20 70 DHIDMN CCc1ccc([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)o1 ZINC000160666095 524025119 /nfs/dbraw/zinc/02/51/19/524025119.db2.gz XNJBBXBLANIDMQ-GFCCVEGCSA-N 0 1 319.401 3.719 20 70 DHIDMN Cc1ccc(OC2CCN(Cc3cnc4ccccn34)CC2)cc1 ZINC000160481166 525375798 /nfs/dbraw/zinc/37/57/98/525375798.db2.gz SHAXIIZSCUDOLX-UHFFFAOYSA-N 0 1 321.424 3.686 20 70 DHIDMN C[C@@H](N[C@@H](C)c1ccco1)c1cccc(N2CCOC2=O)c1 ZINC000160153536 525617407 /nfs/dbraw/zinc/61/74/07/525617407.db2.gz GNXZJQYQHREUJB-OLZOCXBDSA-N 0 1 300.358 3.648 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)C[C@H](C)c3ccccc3)n2)o1 ZINC000160423738 333342735 /nfs/dbraw/zinc/34/27/35/333342735.db2.gz AKMPXNKTZWNEAZ-NSHDSACASA-N 0 1 310.357 3.505 20 70 DHIDMN CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1ccc(F)cc1F ZINC000160705135 333479177 /nfs/dbraw/zinc/47/91/77/333479177.db2.gz JCSJOMJKMVBQGK-MRXNPFEDSA-N 0 1 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SMJKWHDEDFPUDI-UHFFFAOYSA-N 0 1 322.455 3.521 20 70 DHIDMN Cc1nn(C)cc1CNCc1cccc(OCc2ccccc2)c1 ZINC000160210295 338545110 /nfs/dbraw/zinc/54/51/10/338545110.db2.gz COKJMYTUYWKOCO-UHFFFAOYSA-N 0 1 321.424 3.597 20 70 DHIDMN CCCCNC(=O)c1ccc(CN[C@H](C)c2cncs2)cc1 ZINC000160103681 520684825 /nfs/dbraw/zinc/68/48/25/520684825.db2.gz NIXFSKMMFYCIDY-CYBMUJFWSA-N 0 1 317.458 3.524 20 70 DHIDMN CCn1cc([C@H](C)NCc2c(C)nn(-c3ccccc3)c2C)cn1 ZINC000159831635 523471907 /nfs/dbraw/zinc/47/19/07/523471907.db2.gz YGZOMCKWVQRMNE-AWEZNQCLSA-N 0 1 323.444 3.556 20 70 DHIDMN CC[C@@](C)(NCCC(=O)c1ccc(C)cc1)c1nccs1 ZINC000160608809 523657937 /nfs/dbraw/zinc/65/79/37/523657937.db2.gz HMTKAKMIVRMBNE-QGZVFWFLSA-N 0 1 302.443 3.939 20 70 DHIDMN C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1 ZINC000159795883 525547736 /nfs/dbraw/zinc/54/77/36/525547736.db2.gz UWZPNYFDLQRTBC-SECBINFHSA-N 0 1 317.742 3.943 20 70 DHIDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C)c1cncc(F)c1 ZINC000159853241 527543021 /nfs/dbraw/zinc/54/30/21/527543021.db2.gz PIPOBVINYQHEFL-ZDUSSCGKSA-N 0 1 324.403 3.874 20 70 DHIDMN Fc1ccc(NC2CCN(Cc3cnc4ccccn34)CC2)cc1 ZINC000159507254 332445015 /nfs/dbraw/zinc/44/50/15/332445015.db2.gz HRQCSJKNPXYVIV-UHFFFAOYSA-N 0 1 324.403 3.550 20 70 DHIDMN CCc1nc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)n[nH]1 ZINC000160633935 522350301 /nfs/dbraw/zinc/35/03/01/522350301.db2.gz JTRPDDGHNFHGKM-OAHLLOKOSA-N 0 1 324.350 3.627 20 70 DHIDMN CC[C@@H](NCc1cn2ccccc2n1)c1ccc2c(c1)CCO2 ZINC000159419368 522889172 /nfs/dbraw/zinc/88/91/72/522889172.db2.gz RJFHTMJNOZVSBE-QGZVFWFLSA-N 0 1 307.397 3.510 20 70 DHIDMN Cc1ccc(-c2n[nH]c(NC(=O)CC[C@H]3CCCCO3)c2C)o1 ZINC000161409819 525789865 /nfs/dbraw/zinc/78/98/65/525789865.db2.gz IGDXDBKIUYQZTG-CYBMUJFWSA-N 0 1 317.389 3.574 20 70 DHIDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000159530149 526482630 /nfs/dbraw/zinc/48/26/30/526482630.db2.gz YMMFXLXBMKMSHA-MNOVXSKESA-N 0 1 317.355 3.692 20 70 DHIDMN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(O)c(Cl)c1 ZINC000160968969 526935553 /nfs/dbraw/zinc/93/55/53/526935553.db2.gz FVPBLZMGJUBBSN-CYBMUJFWSA-N 0 1 323.820 3.657 20 70 DHIDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)c1cncs1 ZINC000159841827 527543419 /nfs/dbraw/zinc/54/34/19/527543419.db2.gz KFPVZIIERPIXTN-CYBMUJFWSA-N 0 1 312.442 3.796 20 70 DHIDMN CCOc1cccc2cc([C@H](C)NCc3cn(C)nc3C)oc21 ZINC000159633311 332681215 /nfs/dbraw/zinc/68/12/15/332681215.db2.gz JDVSKWKISJDLTC-ZDUSSCGKSA-N 0 1 313.401 3.724 20 70 DHIDMN CC[C@@H](NCc1cn(C)nc1C)c1ccccc1OC(F)F ZINC000159958296 332735708 /nfs/dbraw/zinc/73/57/08/332735708.db2.gz CUCIKNUACYAANM-CQSZACIVSA-N 0 1 309.360 3.571 20 70 DHIDMN CCc1nc(CN[C@@H](CC(C)C)c2ccc(Cl)cc2)n[nH]1 ZINC000160458510 522349408 /nfs/dbraw/zinc/34/94/08/522349408.db2.gz RIPMGKIENYVSFH-AWEZNQCLSA-N 0 1 306.841 3.898 20 70 DHIDMN Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc2[nH]ccc21 ZINC000160934574 524273248 /nfs/dbraw/zinc/27/32/48/524273248.db2.gz RXMMLBSYPJNAOX-UHFFFAOYSA-N 0 1 321.424 3.855 20 70 DHIDMN C[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000160701096 525541496 /nfs/dbraw/zinc/54/14/96/525541496.db2.gz ZPVUNJPEBYMEPA-HOCLYGCPSA-N 0 1 314.454 3.762 20 70 DHIDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)c1cncc(F)c1 ZINC000159853337 527542694 /nfs/dbraw/zinc/54/26/94/527542694.db2.gz PIPOBVINYQHEFL-CYBMUJFWSA-N 0 1 324.403 3.874 20 70 DHIDMN C[C@@H](c1cccc(F)c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161453145 337585914 /nfs/dbraw/zinc/58/59/14/337585914.db2.gz BMJBGTHGSGBQGW-IINYFYTJSA-N 0 1 305.315 3.522 20 70 DHIDMN CC[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccc(F)cc1 ZINC000159821937 522890615 /nfs/dbraw/zinc/89/06/15/522890615.db2.gz BXQGECKKMPBDAC-CYBMUJFWSA-N 0 1 315.314 3.819 20 70 DHIDMN CSCCCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000161376491 525406401 /nfs/dbraw/zinc/40/64/01/525406401.db2.gz GEZYZEACCPECOS-UHFFFAOYSA-N 0 1 307.419 3.758 20 70 DHIDMN CC(C)NC(=O)CN[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000160975346 333729815 /nfs/dbraw/zinc/72/98/15/333729815.db2.gz WNICMDJOMPWGKW-HNNXBMFYSA-N 0 1 312.413 3.654 20 70 DHIDMN CC[C@@H](N[C@@H](C)C(=O)N1CCCCCC1)c1ccc(F)cc1F ZINC000161032136 333786131 /nfs/dbraw/zinc/78/61/31/333786131.db2.gz KMOWLNPJFHDWML-SUMWQHHRSA-N 0 1 324.415 3.797 20 70 DHIDMN C[C@@H](NCCOc1ccccc1-c1ccccc1)c1cnccn1 ZINC000161091221 333806039 /nfs/dbraw/zinc/80/60/39/333806039.db2.gz GDVKYRBBXMWNDZ-MRXNPFEDSA-N 0 1 319.408 3.873 20 70 DHIDMN C[C@@H](NCC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc(Cl)c1 ZINC000216662760 336280355 /nfs/dbraw/zinc/28/03/55/336280355.db2.gz CMRCIPBXEBQTRT-HZSPNIEDSA-N 0 1 308.853 3.780 20 70 DHIDMN CCOc1ccccc1[C@@H](CC(C)C)NCc1n[nH]c(CC)n1 ZINC000160488603 521575239 /nfs/dbraw/zinc/57/52/39/521575239.db2.gz RDHDXQAAOOVEJC-OAHLLOKOSA-N 0 1 316.449 3.643 20 70 DHIDMN COCc1ccc(CN(C)Cc2ccc(OC(F)F)cc2)o1 ZINC000160619141 522968327 /nfs/dbraw/zinc/96/83/27/522968327.db2.gz HWLIDANIGLUCEW-UHFFFAOYSA-N 0 1 311.328 3.659 20 70 DHIDMN C[C@H](NCc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1 ZINC000159795766 525474278 /nfs/dbraw/zinc/47/42/78/525474278.db2.gz UWZPNYFDLQRTBC-VIFPVBQESA-N 0 1 317.742 3.943 20 70 DHIDMN