smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN[C@H](C)c1csc(N2CCCc3ccccc32)n1 ZINC000076786742 185041455 /nfs/dbraw/zinc/04/14/55/185041455.db2.gz RPKSEVRFMFUFSY-CYBMUJFWSA-N 0 3 301.459 4.288 10 0 DIAEHN COCc1c2cc(Cl)cc(Cl)c2oc1CNC(C)C ZINC000077071881 185093877 /nfs/dbraw/zinc/09/38/77/185093877.db2.gz GUIHHIJTJDVQAY-UHFFFAOYSA-N 0 3 302.201 4.384 10 0 DIAEHN C(=C/c1ccc(O[C@@H]2CN3CCC2CC3)cc1)\c1ccccc1 ZINC000084742613 192465740 /nfs/dbraw/zinc/46/57/40/192465740.db2.gz XZBZAQHBKLDXDM-IRUYWQDXSA-N 0 3 305.421 4.330 10 0 DIAEHN CN(C)CCNc1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000006437020 181341675 /nfs/dbraw/zinc/34/16/75/181341675.db2.gz WUUSWESBGKCYHF-UHFFFAOYSA-N 0 3 309.388 4.014 10 0 DIAEHN N[C@@H](c1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000019519734 182127340 /nfs/dbraw/zinc/12/73/40/182127340.db2.gz BFFGIYOOZKKRPD-ZDUSSCGKSA-N 0 3 314.585 4.290 10 0 DIAEHN Cc1cc(C)c([C@@H](N)c2cccc(Br)c2)c(C)c1 ZINC000019968710 182171593 /nfs/dbraw/zinc/17/15/93/182171593.db2.gz QVSUGHBJAIMQHY-INIZCTEOSA-N 0 3 304.231 4.422 10 0 DIAEHN CCc1ccc([C@H](N)c2ccc(F)cc2Br)s1 ZINC000019970626 182171781 /nfs/dbraw/zinc/17/17/81/182171781.db2.gz SXJOSRJITVEPKA-CYBMUJFWSA-N 0 3 314.223 4.260 10 0 DIAEHN Cc1ccc(C)c([C@@H](N)c2cc(Br)ccc2F)c1 ZINC000019971609 182172372 /nfs/dbraw/zinc/17/23/72/182172372.db2.gz RIVWACPGGLKPGW-OAHLLOKOSA-N 0 3 308.194 4.253 10 0 DIAEHN CN(Cc1ccc(Cl)cc1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020226014 182198625 /nfs/dbraw/zinc/19/86/25/182198625.db2.gz VBQKFAQJDSHGCE-INIZCTEOSA-N 0 3 309.240 4.125 10 0 DIAEHN CCc1ccc([C@H](CN)N(C)Cc2ccccc2Cl)cc1 ZINC000020225711 182198866 /nfs/dbraw/zinc/19/88/66/182198866.db2.gz DLJDQBMYVLARHT-SFHVURJKSA-N 0 3 302.849 4.034 10 0 DIAEHN Cc1cc([C@H](N)c2cc(F)ccc2Br)c(C)s1 ZINC000020431511 182217457 /nfs/dbraw/zinc/21/74/57/182217457.db2.gz PGTUXLHEGWZOFA-ZDUSSCGKSA-N 0 3 314.223 4.315 10 0 DIAEHN CCc1ccc([C@@H](N)c2ccc(OC)c(Br)c2)cc1 ZINC000020522021 182226885 /nfs/dbraw/zinc/22/68/85/182226885.db2.gz QRLLWUSRLQRRIE-MRXNPFEDSA-N 0 3 320.230 4.068 10 0 DIAEHN COc1ccc([C@H](N)c2ccc(C)c(C)c2)cc1Br ZINC000020522261 182227034 /nfs/dbraw/zinc/22/70/34/182227034.db2.gz IWFRCCKBUGNYFN-MRXNPFEDSA-N 0 3 320.230 4.123 10 0 DIAEHN Cc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1Cl ZINC000020876579 182251444 /nfs/dbraw/zinc/25/14/44/182251444.db2.gz JOFKFNJITDKACH-AWEZNQCLSA-N 0 3 305.805 4.177 10 0 DIAEHN CCNCc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876209 182251619 /nfs/dbraw/zinc/25/16/19/182251619.db2.gz CPPSUYHJNKWQSG-UHFFFAOYSA-N 0 3 323.795 4.176 10 0 DIAEHN C[C@@H](N)c1ccccc1OCc1ccc(F)cc1Br ZINC000037697718 182919514 /nfs/dbraw/zinc/91/95/14/182919514.db2.gz RGVSIRPWKKYQPG-SNVBAGLBSA-N 0 3 324.193 4.187 10 0 DIAEHN NC[C@@H](c1ccc(Cl)s1)N(Cc1ccsc1)C1CC1 ZINC000042308811 183252256 /nfs/dbraw/zinc/25/22/56/183252256.db2.gz AXCHZPBPELRDOI-LBPRGKRZSA-N 0 3 312.891 4.127 10 0 DIAEHN C[C@H](c1cccs1)N(C)[C@@H](CN)c1ccc(Cl)s1 ZINC000042326255 183254125 /nfs/dbraw/zinc/25/41/25/183254125.db2.gz OISNVTDEDRWLIZ-ZJUUUORDSA-N 0 3 300.880 4.156 10 0 DIAEHN CC(C)N(Cc1cccs1)[C@H](CN)c1ccc(Cl)s1 ZINC000042318852 183254320 /nfs/dbraw/zinc/25/43/20/183254320.db2.gz WYRSCEASZGKQMF-GFCCVEGCSA-N 0 3 314.907 4.373 10 0 DIAEHN CC(C)N(CC1CC1)[C@H](CN)c1cccc(Cl)c1Cl ZINC000042580512 183285929 /nfs/dbraw/zinc/28/59/29/183285929.db2.gz LFUTWFBNEMERGN-CQSZACIVSA-N 0 3 301.261 4.114 10 0 DIAEHN CC(C)C[C@@H](C)N(C)[C@@H](CN)c1cccc(Cl)c1Cl ZINC000042577494 183286734 /nfs/dbraw/zinc/28/67/34/183286734.db2.gz WVRHPDVJGGWXTO-RISCZKNCSA-N 0 3 303.277 4.360 10 0 DIAEHN CC(C)N(CC1CC1)[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000042587955 183287721 /nfs/dbraw/zinc/28/77/21/183287721.db2.gz KAJUAUJOIIDZMF-GFCCVEGCSA-N 0 3 324.262 4.141 10 0 DIAEHN Cc1cc(C)cc(O[C@@H](CN)c2cccc(Br)c2)c1 ZINC000043022585 183330334 /nfs/dbraw/zinc/33/03/34/183330334.db2.gz OEFZQCABPPVYRI-INIZCTEOSA-N 0 3 320.230 4.145 10 0 DIAEHN CCc1ccc(O[C@H](CN)c2cccc(Br)c2)cc1 ZINC000043022506 183330406 /nfs/dbraw/zinc/33/04/06/183330406.db2.gz CYSIXESZXTZBRG-MRXNPFEDSA-N 0 3 320.230 4.090 10 0 DIAEHN NC[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1Cl ZINC000043088651 183334898 /nfs/dbraw/zinc/33/48/98/183334898.db2.gz ANQJPVNLWVEWGR-CQSZACIVSA-N 0 3 300.160 4.211 10 0 DIAEHN Brc1ccccc1-c1csc([C@@H]2CCCCN2)n1 ZINC000053251790 183895091 /nfs/dbraw/zinc/89/50/91/183895091.db2.gz RDIUNOBRQSYLPV-LBPRGKRZSA-N 0 3 323.259 4.387 10 0 DIAEHN CCCCCCNCc1nn(CCC)nc1-c1ccccc1 ZINC000057353312 184035409 /nfs/dbraw/zinc/03/54/09/184035409.db2.gz ZVWFLAQUFADHIN-UHFFFAOYSA-N 0 3 300.450 4.025 10 0 DIAEHN N[C@H](c1ccccc1Br)c1cccc2cnccc21 ZINC000061124369 184162291 /nfs/dbraw/zinc/16/22/91/184162291.db2.gz WIMUIFFBSJUDDB-INIZCTEOSA-N 0 3 313.198 4.045 10 0 DIAEHN N[C@H](Cc1ccc(Br)s1)c1ccc(F)cc1F ZINC000062774297 184252975 /nfs/dbraw/zinc/25/29/75/184252975.db2.gz AYOZTQYAHLMOPW-LLVKDONJSA-N 0 3 318.186 4.031 10 0 DIAEHN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC000173229692 332825733 /nfs/dbraw/zinc/82/57/33/332825733.db2.gz WRJJXPAHGXJAQG-BBATYDOGSA-N 0 3 303.352 4.312 10 0 DIAEHN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1csc(-c2ccccn2)n1 ZINC000035054599 331467644 /nfs/dbraw/zinc/46/76/44/331467644.db2.gz ITRMDSHHIIGHSN-GUTXKFCHSA-N 0 3 301.459 4.119 10 0 DIAEHN CCOc1cc(CN[C@H](C)c2ccc(Cl)s2)ccc1O ZINC000035253410 331490648 /nfs/dbraw/zinc/49/06/48/331490648.db2.gz IPRCQPGZSBIPDS-SNVBAGLBSA-N 0 3 311.834 4.357 10 0 DIAEHN Cc1nc(C)c([C@@H](C)N[C@H](C)COCc2ccccc2)s1 ZINC000178064961 333001509 /nfs/dbraw/zinc/00/15/09/333001509.db2.gz ANAWWRUCFMGIRS-CHWSQXEVSA-N 0 3 304.459 4.016 10 0 DIAEHN FCC[C@H]1CCC[C@H]1NCc1sccc1Br ZINC000381795765 333068392 /nfs/dbraw/zinc/06/83/92/333068392.db2.gz BIUXPAWGNFQOAF-MWLCHTKSSA-N 0 3 306.244 4.129 10 0 DIAEHN C[C@H](O)C1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000092971019 333156805 /nfs/dbraw/zinc/15/68/05/333156805.db2.gz AMAJCCCZCZFQTP-ZDUSSCGKSA-N 0 3 319.445 4.147 10 0 DIAEHN CC[C@H](N[C@H](CN(C)C)c1ccccc1)c1ccc(OC)cc1 ZINC000120430047 333282387 /nfs/dbraw/zinc/28/23/87/333282387.db2.gz SRDZJWZGNZSSJE-VQTJNVASSA-N 0 3 312.457 4.039 10 0 DIAEHN COc1ccc([C@H](C)N[C@@H](C)COCc2ccccc2)cc1F ZINC000390587124 333304127 /nfs/dbraw/zinc/30/41/27/333304127.db2.gz NBMMGKKKXDABKN-GJZGRUSLSA-N 0 3 317.404 4.090 10 0 DIAEHN Cc1csc([C@@H]2CCCN(CCc3ccc(F)c(F)c3)C2)n1 ZINC000152007842 333397857 /nfs/dbraw/zinc/39/78/57/333397857.db2.gz ZPNLGFAIPAWVNB-CQSZACIVSA-N 0 3 322.424 4.152 10 0 DIAEHN Cc1cc([C@](C)(O)CNc2ccnc3c(C)cccc23)c(C)o1 ZINC000301644413 336320331 /nfs/dbraw/zinc/32/03/31/336320331.db2.gz CLGTUANQCDWKGJ-LJQANCHMSA-N 0 3 310.397 4.073 10 0 DIAEHN COCc1cc(CNc2ccnc3c(C)cccc23)ccc1F ZINC000301660003 336321305 /nfs/dbraw/zinc/32/13/05/336321305.db2.gz JAZSDDUORQYIFF-UHFFFAOYSA-N 0 3 310.372 4.441 10 0 DIAEHN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccnc3c(C)cccc23)C1 ZINC000301687568 336323436 /nfs/dbraw/zinc/32/34/36/336323436.db2.gz VBVJDIMWGNFXCQ-GTQRCTGISA-N 0 3 316.470 4.035 10 0 DIAEHN Cc1cccc2c(N3CCO[C@@H](c4cccs4)C3)ccnc12 ZINC000301730551 336326278 /nfs/dbraw/zinc/32/62/78/336326278.db2.gz XIBGUWTWDJQNFS-MRXNPFEDSA-N 0 3 310.422 4.183 10 0 DIAEHN CCCc1cc(NCc2cn(C)nc2CC)c2ccccc2n1 ZINC000301952941 336339744 /nfs/dbraw/zinc/33/97/44/336339744.db2.gz HQWMDSPEVJJBAN-UHFFFAOYSA-N 0 3 308.429 4.095 10 0 DIAEHN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)c1cccc(F)c1 ZINC000171518833 337087784 /nfs/dbraw/zinc/08/77/84/337087784.db2.gz RCQIGIMJRFYICB-GUYCJALGSA-N 0 3 301.409 4.074 10 0 DIAEHN COCCc1nc(C)c([C@H](C)N[C@@H](C)c2cccs2)s1 ZINC000181368755 337181663 /nfs/dbraw/zinc/18/16/63/337181663.db2.gz SELZBLVKMDAVLG-QWRGUYRKSA-N 0 3 310.488 4.114 10 0 DIAEHN FC(F)(F)C1CCC(CN2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000185506394 337248643 /nfs/dbraw/zinc/24/86/43/337248643.db2.gz VFPFIRDFMCRXQL-JXQTWKCFSA-N 0 3 315.383 4.305 10 0 DIAEHN FC(F)(F)C1CCC(CN2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000185506375 337248684 /nfs/dbraw/zinc/24/86/84/337248684.db2.gz VFPFIRDFMCRXQL-RUXDESIVSA-N 0 3 315.383 4.305 10 0 DIAEHN CC(C)c1csc([C@H]2CCCN(C[C@H]3CC[C@@H](C)O3)C2)n1 ZINC000190600954 337289199 /nfs/dbraw/zinc/28/91/99/337289199.db2.gz AQMNCBVVHRGHPN-QLFBSQMISA-N 0 3 308.491 4.013 10 0 DIAEHN CC(C)=CCC[C@@H](C)CCN[C@@H](C)c1nnc2n1CCCC2 ZINC000193299347 337309658 /nfs/dbraw/zinc/30/96/58/337309658.db2.gz YUEDUHUFSGCLDS-CVEARBPZSA-N 0 3 304.482 4.038 10 0 DIAEHN CC(=O)N1c2cc(Cl)ccc2C[C@@H](N)c2ccc(Cl)cc21 ZINC000584603202 337371143 /nfs/dbraw/zinc/37/11/43/337371143.db2.gz QWHXHXCHFWEVQZ-CQSZACIVSA-N 0 3 321.207 4.234 10 0 DIAEHN C[C@H]1CC(CNCc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000466407641 339203007 /nfs/dbraw/zinc/20/30/07/339203007.db2.gz CRNBZFKFHZXXEQ-QWRGUYRKSA-N 0 3 302.245 4.287 10 0 DIAEHN C[C@@H](CN(C)Cc1ccccc1)NCc1cc(Cl)cs1 ZINC000309724542 340432321 /nfs/dbraw/zinc/43/23/21/340432321.db2.gz NFECLGBMKAPNOF-ZDUSSCGKSA-N 0 3 308.878 4.012 10 0 DIAEHN CCc1nc2n(n1)CCC[C@@H]2NCC[C@@H](C)CCC=C(C)C ZINC000193303679 340575662 /nfs/dbraw/zinc/57/56/62/340575662.db2.gz IMHBSQPOCBGQBP-HOTGVXAUSA-N 0 3 304.482 4.038 10 0 DIAEHN Cc1cccc(NC[C@H]2CCN([C@H](C)c3ccc(F)cc3)C2)n1 ZINC000246204070 341333591 /nfs/dbraw/zinc/33/35/91/341333591.db2.gz YFYGZSXJSMIYSG-HZPDHXFCSA-N 0 3 313.420 4.024 10 0 DIAEHN Cc1cnn([C@@H]2CCCN([C@H]3CCc4c3cccc4Cl)C2)c1 ZINC000246839326 341357694 /nfs/dbraw/zinc/35/76/94/341357694.db2.gz VDTAEJNOAIBQGQ-KDOFPFPSSA-N 0 3 315.848 4.169 10 0 DIAEHN CC[C@H](c1ccc(F)cc1)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247223985 341362462 /nfs/dbraw/zinc/36/24/62/341362462.db2.gz XXNBLVZAYWAANJ-MSOLQXFVSA-N 0 3 315.436 4.464 10 0 DIAEHN CC(C)c1csc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000127689369 519857333 /nfs/dbraw/zinc/85/73/33/519857333.db2.gz WXVYBOXHRQBONH-AWEZNQCLSA-N 0 3 301.459 4.041 10 0 DIAEHN Cc1ccc([C@@H](C)NCCCC(=O)Nc2c(C)cccc2C)o1 ZINC000182589767 525726117 /nfs/dbraw/zinc/72/61/17/525726117.db2.gz REUJZUQLLZWVJQ-MRXNPFEDSA-N 0 3 314.429 4.274 10 0 DIAEHN COCCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000013722185 563387497 /nfs/dbraw/zinc/38/74/97/563387497.db2.gz SIEPZRWDOCAAKT-UHFFFAOYSA-N 0 3 319.832 4.045 10 0 DIAEHN CC1CCC(CCNCc2ccc(Br)o2)CC1 ZINC000070538317 563451377 /nfs/dbraw/zinc/45/13/77/563451377.db2.gz LGJUEGQGZWNIKH-UHFFFAOYSA-N 0 3 300.240 4.348 10 0 DIAEHN Cc1ccnc(C[C@H](C)N(C)Cc2ccc3ccccc3n2)c1 ZINC000063835453 563485204 /nfs/dbraw/zinc/48/52/04/563485204.db2.gz CSJOOBRIEYIUTO-INIZCTEOSA-N 0 3 305.425 4.001 10 0 DIAEHN Cc1c(CN[C@@H](C)c2cnn(C)c2)c2ccccc2n1CC(C)C ZINC000071315699 563498921 /nfs/dbraw/zinc/49/89/21/563498921.db2.gz WZZIFGVFTLHFJW-HNNXBMFYSA-N 0 3 324.472 4.190 10 0 DIAEHN COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCOc2ccccc21 ZINC000192795034 1044310830 /nfs/dbraw/zinc/31/08/30/1044310830.db2.gz MEKUUVUMEZGNQV-OALUTQOASA-N 0 3 309.409 4.186 10 0 DIAEHN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000192793448 1044311339 /nfs/dbraw/zinc/31/13/39/1044311339.db2.gz CIBGTUZIIBGQLD-DNVCBOLYSA-N 0 3 319.408 4.047 10 0 DIAEHN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCC[C@@H]1C1=CCCCC1 ZINC000090223968 1047501577 /nfs/dbraw/zinc/50/15/77/1047501577.db2.gz GTFMMALTIZUPME-KURKYZTESA-N 0 3 314.477 4.070 10 0 DIAEHN Cc1ccc(Nc2nc(O)c(CCCc3ccccc3)s2)cc1 ZINC000090378542 185293224 /nfs/dbraw/zinc/29/32/24/185293224.db2.gz YUMNDDBDZVYWND-KRWDZBQOSA-N 0 3 324.449 4.428 10 0 DIAEHN Cc1ccc(NC2=NC(=O)C(CCCc3ccccc3)S2)cc1 ZINC000090378542 185293226 /nfs/dbraw/zinc/29/32/26/185293226.db2.gz YUMNDDBDZVYWND-KRWDZBQOSA-N 0 3 324.449 4.428 10 0 DIAEHN CN(C)CCO[C@@]1(c2ccccc2)CCCCc2ccccc21 ZINC000002007162 180905291 /nfs/dbraw/zinc/90/52/91/180905291.db2.gz LUQRSWIPLKDXKS-OAQYLSRUSA-N 0 3 309.453 4.235 10 0 DIAEHN Fc1ccc2cc(Nc3cc(CN4CCCC4)ccn3)ncc2c1 ZINC000091301325 193035281 /nfs/dbraw/zinc/03/52/81/193035281.db2.gz IZPHGIPLTURXMU-UHFFFAOYSA-N 0 3 322.387 4.108 10 0 DIAEHN C[C@@H]1CCCC[C@H]1OC[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000019231191 182109679 /nfs/dbraw/zinc/10/96/79/182109679.db2.gz UJIJRLODSDWXBI-KCPJHIHWSA-N 0 3 301.352 4.301 10 0 DIAEHN N[C@@H](c1ccc(Br)cc1)c1c(F)cccc1Cl ZINC000019503783 182126898 /nfs/dbraw/zinc/12/68/98/182126898.db2.gz HVHXOTWZAJEXMQ-ZDUSSCGKSA-N 0 3 314.585 4.290 10 0 DIAEHN NC[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000019671877 182135348 /nfs/dbraw/zinc/13/53/48/182135348.db2.gz XKWJCFJNDRRJAY-CQSZACIVSA-N 0 3 300.160 4.211 10 0 DIAEHN CNCc1cc(Br)ccc1OCc1ccccc1C ZINC000019777477 182147978 /nfs/dbraw/zinc/14/79/78/182147978.db2.gz FTYGETWXEWPJNW-UHFFFAOYSA-N 0 3 320.230 4.056 10 0 DIAEHN Cc1cc(C)c([C@H](N)c2ccc(Br)cc2)c(C)c1 ZINC000019804136 182151811 /nfs/dbraw/zinc/15/18/11/182151811.db2.gz UQHYPKRVROUQJJ-MRXNPFEDSA-N 0 3 304.231 4.422 10 0 DIAEHN C[C@H](NCCc1ccccc1F)c1ccccc1Br ZINC000019912710 182163787 /nfs/dbraw/zinc/16/37/87/182163787.db2.gz XBCZVNYTFZIYNK-LBPRGKRZSA-N 0 3 322.221 4.482 10 0 DIAEHN CCc1ccc([C@@H](N)c2cc(Br)ccc2F)cc1 ZINC000019968624 182171303 /nfs/dbraw/zinc/17/13/03/182171303.db2.gz QJMZXGQYKYQRGN-OAHLLOKOSA-N 0 3 308.194 4.199 10 0 DIAEHN CCOc1ccc([C@@H](N)c2cc(F)ccc2Br)cc1 ZINC000019967414 182171397 /nfs/dbraw/zinc/17/13/97/182171397.db2.gz OEUACSADRNCCGW-OAHLLOKOSA-N 0 3 324.193 4.035 10 0 DIAEHN CCCc1ccc([C@H](N)c2ccc(Br)cc2)cc1 ZINC000019970028 182171751 /nfs/dbraw/zinc/17/17/51/182171751.db2.gz JISVWYCTHNCQLW-INIZCTEOSA-N 0 3 304.231 4.450 10 0 DIAEHN COc1c(Br)cc(Cl)cc1[C@@H](N)CC(C)C ZINC000019967876 182171769 /nfs/dbraw/zinc/17/17/69/182171769.db2.gz NBYDRFWJTHLJGR-NSHDSACASA-N 0 3 306.631 4.157 10 0 DIAEHN Cc1ccc([C@H](N)c2ccc(F)cc2Br)c(C)c1 ZINC000019971332 182172478 /nfs/dbraw/zinc/17/24/78/182172478.db2.gz CNYVUPAPRYCJPN-HNNXBMFYSA-N 0 3 308.194 4.253 10 0 DIAEHN CCc1ccc([C@@H](CN)N(C)Cc2ccccc2Cl)cc1 ZINC000020225710 182198665 /nfs/dbraw/zinc/19/86/65/182198665.db2.gz DLJDQBMYVLARHT-GOSISDBHSA-N 0 3 302.849 4.034 10 0 DIAEHN CN(Cc1ccccc1)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000020226704 182198773 /nfs/dbraw/zinc/19/87/73/182198773.db2.gz RJKATEWGXHJSRT-HNNXBMFYSA-N 0 3 309.240 4.125 10 0 DIAEHN CCCOc1c(Cl)cc(CNC[C@@H]2CCCO2)cc1Cl ZINC000020926315 182254410 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COc1cccc(CNC(C)(C)C)c1OCc1ccc(C)cc1 ZINC000020873916 182250855 /nfs/dbraw/zinc/25/08/55/182250855.db2.gz DOGINPMWUKBYST-UHFFFAOYSA-N 0 3 313.441 4.471 10 0 DIAEHN C[C@@H](CNC(c1cccs1)c1cccs1)N1CCCCC1 ZINC000038029084 182971809 /nfs/dbraw/zinc/97/18/09/182971809.db2.gz OMKILDJVEKSJCB-AWEZNQCLSA-N 0 3 320.527 4.363 10 0 DIAEHN CCCCCOc1c(Br)cccc1CNCC ZINC000042411662 183265867 /nfs/dbraw/zinc/26/58/67/183265867.db2.gz LHZZPMDHKUNCFQ-UHFFFAOYSA-N 0 3 300.240 4.128 10 0 DIAEHN CCCCCN(Cc1ccc(N)cc1Br)C(C)C ZINC000042554018 183283795 /nfs/dbraw/zinc/28/37/95/183283795.db2.gz QSSSOHWRFLWXIW-UHFFFAOYSA-N 0 3 313.283 4.432 10 0 DIAEHN CC(C)N(CC1CC1)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000042580347 183286953 /nfs/dbraw/zinc/28/69/53/183286953.db2.gz IVFMEQOCXLOCRD-HNNXBMFYSA-N 0 3 301.261 4.114 10 0 DIAEHN C[C@H](N(C)[C@@H](CN)c1c(Cl)cccc1Cl)C(C)(C)C ZINC000042741951 183304710 /nfs/dbraw/zinc/30/47/10/183304710.db2.gz HCWZRNRLHLPIOE-GWCFXTLKSA-N 0 3 303.277 4.360 10 0 DIAEHN CC1CCC(O[C@H](CN)c2cccc(Br)c2)CC1 ZINC000043022959 183330397 /nfs/dbraw/zinc/33/03/97/183330397.db2.gz QIOIFJHPPPJQPM-WDIPEOLASA-N 0 3 312.251 4.044 10 0 DIAEHN C[C@@H]1CCCC[C@@H]1O[C@@H](CN)c1cccc(Br)c1 ZINC000043023009 183330754 /nfs/dbraw/zinc/33/07/54/183330754.db2.gz JSAWDZLRJVKCAZ-UGFHNGPFSA-N 0 3 312.251 4.044 10 0 DIAEHN CCc1ccccc1O[C@H](CN)c1ccccc1Br ZINC000043095248 183337782 /nfs/dbraw/zinc/33/77/82/183337782.db2.gz BDCIRBIAEGPZRC-MRXNPFEDSA-N 0 3 320.230 4.090 10 0 DIAEHN C[C@@H]([NH2+]Cc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000059514473 184139563 /nfs/dbraw/zinc/13/95/63/184139563.db2.gz CXNCNCOAWKUQOJ-LLVKDONJSA-N 0 3 306.203 4.006 10 0 DIAEHN N[C@H](Cc1cc(Br)cs1)c1cc(F)cc(F)c1 ZINC000060698611 184154435 /nfs/dbraw/zinc/15/44/35/184154435.db2.gz RMIAIVBRTKEWGW-GFCCVEGCSA-N 0 3 318.186 4.031 10 0 DIAEHN N[C@H](Cc1ccc(Br)s1)c1cc(F)cc(F)c1 ZINC000060698507 184154531 /nfs/dbraw/zinc/15/45/31/184154531.db2.gz YAALGYFRJMOAQK-LLVKDONJSA-N 0 3 318.186 4.031 10 0 DIAEHN CCCOc1cccc([C@H](N)c2ccc(Br)cc2)c1 ZINC000061667509 184181751 /nfs/dbraw/zinc/18/17/51/184181751.db2.gz YTXIXUCXRVEDJR-MRXNPFEDSA-N 0 3 320.230 4.286 10 0 DIAEHN C[C@H](Cc1ccccc1)NCc1ccccc1Br ZINC000062173436 184210606 /nfs/dbraw/zinc/21/06/06/184210606.db2.gz VNTWSXSKHSNVGT-CYBMUJFWSA-N 0 3 304.231 4.170 10 0 DIAEHN C[C@H](N[C@@H](C)[C@@H]1CCOC1)c1c(Cl)ccc(F)c1Cl ZINC000125872076 332221624 /nfs/dbraw/zinc/22/16/24/332221624.db2.gz ZOCDXKXCGLGERL-LPEHRKFASA-N 0 3 306.208 4.208 10 0 DIAEHN C[C@@H](N[C@H](CN(C)C)c1ccccc1)c1ccc2ccccc2n1 ZINC000178443749 333138857 /nfs/dbraw/zinc/13/88/57/333138857.db2.gz UXJLSHZZKMLYOT-IIBYNOLFSA-N 0 3 319.452 4.188 10 0 DIAEHN CCOc1ccc([C@@H](C)N[C@@H](C)COCc2ccccc2)cc1 ZINC000390570630 333301711 /nfs/dbraw/zinc/30/17/11/333301711.db2.gz BJHCXJAIANVUKU-DLBZAZTESA-N 0 3 313.441 4.341 10 0 DIAEHN COc1cc([C@@H](C)N[C@H](C)COCc2ccccc2)ccc1F ZINC000390579320 333303525 /nfs/dbraw/zinc/30/35/25/333303525.db2.gz HRMCCBMTJUQZLU-HUUCEWRRSA-N 0 3 317.404 4.090 10 0 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/nfs/dbraw/zinc/36/29/59/341362959.db2.gz WJOQMBYPHMVGPY-GDBMZVCRSA-N 0 3 316.470 4.401 10 0 DIAEHN CCN(CC)c1ncc(CN[C@@H](C)c2cccc(C)c2)s1 ZINC000157276663 341635638 /nfs/dbraw/zinc/63/56/38/341635638.db2.gz HWJUBGZXYVSQEJ-AWEZNQCLSA-N 0 3 303.475 4.149 10 0 DIAEHN Cc1ccccc1[C@@H](NCCc1ccccn1)c1ccccc1 ZINC000175728745 518191050 /nfs/dbraw/zinc/19/10/50/518191050.db2.gz FSWFEFVMZBAFRX-NRFANRHFSA-N 0 3 302.421 4.312 10 0 DIAEHN Cc1ccc([C@H](C)NCCCC(=O)Nc2c(C)cccc2C)o1 ZINC000182589751 525919992 /nfs/dbraw/zinc/91/99/92/525919992.db2.gz REUJZUQLLZWVJQ-INIZCTEOSA-N 0 3 314.429 4.274 10 0 DIAEHN FC(F)Oc1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157021074 527695711 /nfs/dbraw/zinc/69/57/11/527695711.db2.gz XNMHOCZTCLHHPN-CYBMUJFWSA-N 0 3 324.396 4.124 10 0 DIAEHN Cc1sc([C@H]2NCCc3ccsc32)cc1Br ZINC000712553185 563322324 /nfs/dbraw/zinc/32/23/24/563322324.db2.gz DWOOEXPXAQVNRM-LLVKDONJSA-N 0 3 314.273 4.116 10 0 DIAEHN COc1cccc(CNCCC(C)C)c1OCc1ccccc1 ZINC000013724127 563387454 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/nfs/dbraw/zinc/38/29/38/185382938.db2.gz UFCMNQDJUYQRPO-UHFFFAOYSA-N 0 3 322.452 4.224 10 0 DIAEHN CC(C)c1nc(-c2c(F)cccc2F)sc1CNC1CC1 ZINC000082429852 185181631 /nfs/dbraw/zinc/18/16/31/185181631.db2.gz HMTGUBKHLUSBLM-UHFFFAOYSA-N 0 3 308.397 4.464 10 0 DIAEHN Cc1cc(N)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1 ZINC000072414093 191155902 /nfs/dbraw/zinc/15/59/02/191155902.db2.gz CIXUWKIZLUGJGV-UHFFFAOYSA-N 0 3 311.772 4.031 10 0 DIAEHN CN(C)CCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C ZINC000003643198 181043392 /nfs/dbraw/zinc/04/33/92/181043392.db2.gz QOBGWWQAMAPULA-RLLQIKCJSA-N 0 3 301.474 4.306 10 0 investigational DIAEHN CC(C)[C@@H](N[C@@H](C)C(=O)Nc1ccccc1)c1cccs1 ZINC000011104039 181685325 /nfs/dbraw/zinc/68/53/25/181685325.db2.gz AYXAPNBBYAOJJI-XJKSGUPXSA-N 0 3 302.443 4.062 10 0 DIAEHN N[C@@H]1CCCc2nc(CSc3ccc(Cl)cc3)sc21 ZINC000011850442 181711179 /nfs/dbraw/zinc/71/11/79/181711179.db2.gz MNVINMMSEDPCBE-LLVKDONJSA-N 0 3 310.875 4.425 10 0 DIAEHN N[C@@H](c1ccc(Cl)cc1)c1cc(Br)ccc1F 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C[C@@H](N)c1cc(F)ccc1Oc1ccccc1Br ZINC000019872986 182159349 /nfs/dbraw/zinc/15/93/49/182159349.db2.gz SOMKPNMQYBIDLF-SECBINFHSA-N 0 3 310.166 4.400 10 0 DIAEHN CCCc1ccc([C@H](N)c2cccc(Br)c2)cc1 ZINC000019970090 182171345 /nfs/dbraw/zinc/17/13/45/182171345.db2.gz XDWBVWTYROGPIG-INIZCTEOSA-N 0 3 304.231 4.450 10 0 DIAEHN N[C@@H](c1cccc(Br)c1)c1ccc2c(c1)CCCC2 ZINC000019970591 182171358 /nfs/dbraw/zinc/17/13/58/182171358.db2.gz KKZWWVCJRFBWST-KRWDZBQOSA-N 0 3 316.242 4.376 10 0 DIAEHN CCCc1ccc([C@H](N)c2ccccc2Br)cc1 ZINC000019970026 182171647 /nfs/dbraw/zinc/17/16/47/182171647.db2.gz ZVPKDRNFJYWAFU-INIZCTEOSA-N 0 3 304.231 4.450 10 0 DIAEHN CCCC[C@H](N)c1cc(Cl)cc(Br)c1OC ZINC000019967895 182171788 /nfs/dbraw/zinc/17/17/88/182171788.db2.gz UVKRIFPSOZTPPT-NSHDSACASA-N 0 3 306.631 4.301 10 0 DIAEHN CC[C@@H](C)[C@H](N)c1cc(Cl)cc(Br)c1OC ZINC000019967890 182171793 /nfs/dbraw/zinc/17/17/93/182171793.db2.gz IAFXNEHDUTUEIK-HQJQHLMTSA-N 0 3 306.631 4.157 10 0 DIAEHN CCOc1ccc([C@H](N)c2cc(F)ccc2Br)cc1 ZINC000019967415 182171811 /nfs/dbraw/zinc/17/18/11/182171811.db2.gz OEUACSADRNCCGW-HNNXBMFYSA-N 0 3 324.193 4.035 10 0 DIAEHN Cc1ccc([C@H](N)c2cc(F)ccc2Br)c(C)c1 ZINC000019971356 182172465 /nfs/dbraw/zinc/17/24/65/182172465.db2.gz VEEWITJJUHHWGN-HNNXBMFYSA-N 0 3 308.194 4.253 10 0 DIAEHN Cc1ccc([C@@H](N)c2cc(F)ccc2Br)c(C)c1 ZINC000019971355 182172521 /nfs/dbraw/zinc/17/25/21/182172521.db2.gz VEEWITJJUHHWGN-OAHLLOKOSA-N 0 3 308.194 4.253 10 0 DIAEHN CCOc1ccc([C@@H](N)c2ccc(Cl)cc2)cc1OCC ZINC000019979930 182173169 /nfs/dbraw/zinc/17/31/69/182173169.db2.gz WOPMHRHCZDDXCC-KRWDZBQOSA-N 0 3 305.805 4.186 10 0 DIAEHN CN(Cc1ccccc1)[C@H](CN)c1c(Cl)cccc1Cl ZINC000020226705 182198691 /nfs/dbraw/zinc/19/86/91/182198691.db2.gz RJKATEWGXHJSRT-OAHLLOKOSA-N 0 3 309.240 4.125 10 0 DIAEHN CN(Cc1cccc(Cl)c1)[C@@H](CN)c1cccc(Cl)c1 ZINC000020225962 182198904 /nfs/dbraw/zinc/19/89/04/182198904.db2.gz QFDRNBWAFHYRKO-INIZCTEOSA-N 0 3 309.240 4.125 10 0 DIAEHN CCCOc1ccc(CNCc2ccc(OC)cc2)cc1Cl ZINC000020925642 182254453 /nfs/dbraw/zinc/25/44/53/182254453.db2.gz DGIPMYFJPKGMNO-UHFFFAOYSA-N 0 3 319.832 4.427 10 0 DIAEHN Cc1ccc(COc2ccc(Cl)cc2CNC2CC2)cc1 ZINC000020875187 182251427 /nfs/dbraw/zinc/25/14/27/182251427.db2.gz VBRQAVLQZRUCNU-UHFFFAOYSA-N 0 3 301.817 4.479 10 0 DIAEHN COc1cc([C@@H](N)c2cc(Cl)sc2Cl)ccc1C ZINC000037379514 182885551 /nfs/dbraw/zinc/88/55/51/182885551.db2.gz FQABEAHVDCSFLJ-GFCCVEGCSA-N 0 3 302.226 4.420 10 0 DIAEHN CCCCN(Cc1ccc(N)cc1Br)[C@@H](C)CC ZINC000042600774 183290702 /nfs/dbraw/zinc/29/07/02/183290702.db2.gz OCKSAAVRRITKED-LBPRGKRZSA-N 0 3 313.283 4.432 10 0 DIAEHN C[C@@H]1CCCC[C@@H]1N(C)Cc1ccc(N)cc1Br ZINC000042601778 183290714 /nfs/dbraw/zinc/29/07/14/183290714.db2.gz JLENHDSEGMFATD-ABAIWWIYSA-N 0 3 311.267 4.042 10 0 DIAEHN Cc1cccc(O[C@@H](CN)c2ccccc2Br)c1C ZINC000043094148 183336947 /nfs/dbraw/zinc/33/69/47/183336947.db2.gz JPVNBPLRBWQUBS-INIZCTEOSA-N 0 3 320.230 4.145 10 0 DIAEHN C[C@H]1CCC[C@@H](O[C@@H](CN)c2ccccc2Br)C1 ZINC000043095138 183337323 /nfs/dbraw/zinc/33/73/23/183337323.db2.gz QIPPECGIIXGWTA-ZOWXZIJZSA-N 0 3 312.251 4.044 10 0 DIAEHN CCc1cccc(O[C@@H](CN)c2ccccc2Br)c1 ZINC000043094902 183337366 /nfs/dbraw/zinc/33/73/66/183337366.db2.gz VBPYMISTZMTUTJ-INIZCTEOSA-N 0 3 320.230 4.090 10 0 DIAEHN CCc1ccc(O[C@@H](CN)c2ccccc2Br)cc1 ZINC000043094180 183336408 /nfs/dbraw/zinc/33/64/08/183336408.db2.gz BVLSIQXEMFUFFI-INIZCTEOSA-N 0 3 320.230 4.090 10 0 DIAEHN N[C@@H](c1ccccc1Br)c1cccc2cnccc21 ZINC000061124368 184162559 /nfs/dbraw/zinc/16/25/59/184162559.db2.gz WIMUIFFBSJUDDB-MRXNPFEDSA-N 0 3 313.198 4.045 10 0 DIAEHN CCNCc1ccc(-c2cc(Br)ccc2Cl)o1 ZINC000061692292 184183397 /nfs/dbraw/zinc/18/33/97/184183397.db2.gz FADIXKHPLOCTEB-UHFFFAOYSA-N 0 3 314.610 4.472 10 0 DIAEHN CC(C)COc1c(Br)cccc1CNC(C)(C)C ZINC000062733484 184251541 /nfs/dbraw/zinc/25/15/41/184251541.db2.gz NIJAQAAOQUOLRR-UHFFFAOYSA-N 0 3 314.267 4.372 10 0 DIAEHN CC(C)C[C@H](N)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000037033587 331533679 /nfs/dbraw/zinc/53/36/79/331533679.db2.gz FDKFKYBHDJYJNP-INIZCTEOSA-N 0 3 306.475 4.033 10 0 DIAEHN Cc1ccc([C@@H](N[C@@H](C)CCCO)c2ccccc2Cl)cc1 ZINC000180748759 331576733 /nfs/dbraw/zinc/57/67/33/331576733.db2.gz FKYZLPUVPALOLC-HNAYVOBHSA-N 0 3 317.860 4.488 10 0 DIAEHN CCCn1ccc(CN[C@H]2CCSc3ccc(F)cc32)c1 ZINC000091010677 331918053 /nfs/dbraw/zinc/91/80/53/331918053.db2.gz PBPOUTVWXJDPTE-INIZCTEOSA-N 0 3 304.434 4.364 10 0 DIAEHN CCCn1ccc(CN[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000091010676 331918065 /nfs/dbraw/zinc/91/80/65/331918065.db2.gz PBPOUTVWXJDPTE-MRXNPFEDSA-N 0 3 304.434 4.364 10 0 DIAEHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1cc(Cl)ccc1Cl ZINC000223868791 332017867 /nfs/dbraw/zinc/01/78/67/332017867.db2.gz XKUOHRBOALGAOF-RWSFTLGLSA-N 0 3 302.245 4.195 10 0 DIAEHN C[C@H](COCc1ccccc1)N[C@@H](C)c1ccc(F)cc1F ZINC000390574637 333302971 /nfs/dbraw/zinc/30/29/71/333302971.db2.gz DSLBMZMVRYACTF-KGLIPLIRSA-N 0 3 305.368 4.221 10 0 DIAEHN Cc1ccc2cc(CN[C@@H](C)COCc3ccccc3)ccc2n1 ZINC000390602351 333305607 /nfs/dbraw/zinc/30/56/07/333305607.db2.gz YHUPRIUWGNMTSP-KRWDZBQOSA-N 0 3 320.436 4.238 10 0 DIAEHN COc1ccc([C@@H](N[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000193002986 336286935 /nfs/dbraw/zinc/28/69/35/336286935.db2.gz ICFCTPKDMADPJC-QUCCMNQESA-N 0 3 309.409 4.260 10 0 DIAEHN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(C)nc3ccccc32)C1 ZINC000301540732 336313432 /nfs/dbraw/zinc/31/34/32/336313432.db2.gz JVVQTLHELGGCIR-HLFMIMNKSA-N 0 3 316.470 4.035 10 0 DIAEHN Cc1cccc2c(N[C@H]3CCO[C@@H]3c3ccccc3)ccnc12 ZINC000301675522 336322742 /nfs/dbraw/zinc/32/27/42/336322742.db2.gz PSNHPLQYZXFKSH-AZUAARDMSA-N 0 3 304.393 4.485 10 0 DIAEHN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccnc3c(C)cccc23)C1 ZINC000301687570 336323491 /nfs/dbraw/zinc/32/34/91/336323491.db2.gz VBVJDIMWGNFXCQ-HLFMIMNKSA-N 0 3 316.470 4.035 10 0 DIAEHN CSc1ccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000171520588 337087829 /nfs/dbraw/zinc/08/78/29/337087829.db2.gz VLXWUOPLTBQIIW-QGZVFWFLSA-N 0 3 315.486 4.096 10 0 DIAEHN COc1ccsc1[C@H](C)NC1CCN(c2cccs2)CC1 ZINC000186192645 337254276 /nfs/dbraw/zinc/25/42/76/337254276.db2.gz MFQBSVJZLZRJMO-LBPRGKRZSA-N 0 3 322.499 4.138 10 0 DIAEHN C[C@@H](NCC[C@@H]1C(=O)Nc2ccccc21)c1csc(Cl)c1 ZINC000191349338 337296228 /nfs/dbraw/zinc/29/62/28/337296228.db2.gz LAZRYSJWOHMVHL-MFKMUULPSA-N 0 3 320.845 4.178 10 0 DIAEHN CN1CCC[C@@H](CN2c3ccccc3COc3ccccc32)C1 ZINC000584602093 337371064 /nfs/dbraw/zinc/37/10/64/337371064.db2.gz OSXXSYBRQGJICL-MRXNPFEDSA-N 0 3 308.425 4.059 10 0 DIAEHN C[C@H](c1ccccc1Cl)N1CCC(c2ccnn2C)CC1 ZINC000195503056 337467431 /nfs/dbraw/zinc/46/74/31/337467431.db2.gz BJXWYPPGLAIDNQ-CYBMUJFWSA-N 0 3 303.837 4.014 10 0 DIAEHN C[C@H](N[C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1Br ZINC000248786602 337567431 /nfs/dbraw/zinc/56/74/31/337567431.db2.gz IJWXCENSMYWNFZ-DETPVDSQSA-N 0 3 324.262 4.057 10 0 DIAEHN C[C@H](CCSc1ccccc1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000153412521 338224019 /nfs/dbraw/zinc/22/40/19/338224019.db2.gz SYNFAGMCSKEBEJ-CRAIPNDOSA-N 0 3 315.486 4.128 10 0 DIAEHN C[C@H](NC[C@@H]1CCCC[C@H]1O)c1cc(Cl)sc1Cl ZINC000300410468 340225276 /nfs/dbraw/zinc/22/52/76/340225276.db2.gz HUVKEEKZRISZKL-ATZCPNFKSA-N 0 3 308.274 4.257 10 0 DIAEHN C[C@H](N[C@@H]1CCCC[C@H]1CO)c1cccc(Cl)c1Cl ZINC000300413032 340225364 /nfs/dbraw/zinc/22/53/64/340225364.db2.gz XTBIYMHSTMNNIZ-COPLHBTASA-N 0 3 302.245 4.195 10 0 DIAEHN C[C@@H](NCc1cc(Cl)cs1)c1cccc(-n2ccnc2)c1 ZINC000193131787 340572872 /nfs/dbraw/zinc/57/28/72/340572872.db2.gz DKJAVKOXAGMJKN-GFCCVEGCSA-N 0 3 317.845 4.438 10 0 DIAEHN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 ZINC000066109864 340840283 /nfs/dbraw/zinc/84/02/83/340840283.db2.gz ASACSHZZBBXWDP-MRXNPFEDSA-N 0 3 316.832 4.328 10 0 DIAEHN Cc1cccc(NC[C@@H]2CCN([C@H](C)c3ccccc3F)C2)n1 ZINC000246197893 341332809 /nfs/dbraw/zinc/33/28/09/341332809.db2.gz XKEMFFUFKPNFGN-CVEARBPZSA-N 0 3 313.420 4.024 10 0 DIAEHN CC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000181908123 519732935 /nfs/dbraw/zinc/73/29/35/519732935.db2.gz ASILOSKDLKNLCN-VXGBXAGGSA-N 0 3 318.367 4.335 10 0 DIAEHN CC(C)c1csc([C@H]2CCCN(CCc3ccccn3)C2)n1 ZINC000127674039 519857254 /nfs/dbraw/zinc/85/72/54/519857254.db2.gz NIQINSUNXLPDTH-HNNXBMFYSA-N 0 3 315.486 4.084 10 0 DIAEHN Cc1ncc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)s1 ZINC000127696540 527255549 /nfs/dbraw/zinc/25/55/49/527255549.db2.gz RYMYPSJOJIIDDL-ZDUSSCGKSA-N 0 3 321.515 4.411 10 0 DIAEHN CCN(CC)[C@@H](C)[C@@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000004655039 560199487 /nfs/dbraw/zinc/19/94/87/560199487.db2.gz YOGZOJPVXCHKKZ-QFBILLFUSA-N 0 3 311.425 4.315 10 0 in-vitro DIAEHN CCN(CC)[C@H](C)[C@@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000004655040 560199543 /nfs/dbraw/zinc/19/95/43/560199543.db2.gz YOGZOJPVXCHKKZ-VQIMIIECSA-N 0 3 311.425 4.315 10 0 in-vitro DIAEHN CCN1CCC[C@@H]1CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000035805119 563454108 /nfs/dbraw/zinc/45/41/08/563454108.db2.gz FTQDGCRJBVJKHE-MRXNPFEDSA-N 0 3 318.848 4.174 10 0 DIAEHN CCN1CCC[C@@H]1CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000035805108 563454224 /nfs/dbraw/zinc/45/42/24/563454224.db2.gz PSFGCXLDPPHWDB-MRXNPFEDSA-N 0 3 318.848 4.174 10 0 DIAEHN Cc1ccnc(C[C@@H](C)N(C)Cc2ccc3ccccc3n2)c1 ZINC000063835451 563485168 /nfs/dbraw/zinc/48/51/68/563485168.db2.gz CSJOOBRIEYIUTO-MRXNPFEDSA-N 0 3 305.425 4.001 10 0 DIAEHN COc1cc(Cl)cc(CNC(C)C)c1OCc1ccccc1 ZINC000010436442 563649122 /nfs/dbraw/zinc/64/91/22/563649122.db2.gz VTPUHQVQEOCCAH-UHFFFAOYSA-N 0 3 319.832 4.426 10 0 DIAEHN CCC1(C)CCN(Cc2cc(N)ccc2Br)CC1 ZINC000128398340 563912849 /nfs/dbraw/zinc/91/28/49/563912849.db2.gz MFKDCEZXRMLHMC-UHFFFAOYSA-N 0 3 311.267 4.043 10 0 DIAEHN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000192793478 1044310905 /nfs/dbraw/zinc/31/09/05/1044310905.db2.gz CIBGTUZIIBGQLD-BEFAXECRSA-N 0 3 319.408 4.047 10 0 DIAEHN CCN[C@H](C)c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076732487 185036760 /nfs/dbraw/zinc/03/67/60/185036760.db2.gz XBRRHIWHZRFXBO-SECBINFHSA-N 0 3 300.349 4.499 10 0 DIAEHN CCN[C@@H](C)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784647 185040999 /nfs/dbraw/zinc/04/09/99/185040999.db2.gz SCHQCZGMVHJRSM-VIFPVBQESA-N 0 3 300.349 4.499 10 0 DIAEHN CCCN[C@@H](C)c1csc(N2CCCc3ccccc32)n1 ZINC000076786739 185041047 /nfs/dbraw/zinc/04/10/47/185041047.db2.gz RPKSEVRFMFUFSY-ZDUSSCGKSA-N 0 3 301.459 4.288 10 0 DIAEHN CCN[C@H](C)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784651 185041477 /nfs/dbraw/zinc/04/14/77/185041477.db2.gz SCHQCZGMVHJRSM-SECBINFHSA-N 0 3 300.349 4.499 10 0 DIAEHN CCNCc1sc(CCc2ccccc2)nc1C(C)(C)C ZINC000082441173 185183294 /nfs/dbraw/zinc/18/32/94/185183294.db2.gz DFVGDKXXBBBAAS-UHFFFAOYSA-N 0 3 302.487 4.335 10 0 DIAEHN CN(C)CCO[C@@H]1[C@H]2CC[C@@](C)([C@@H]1c1ccccc1)C2(C)C ZINC000140629224 186027765 /nfs/dbraw/zinc/02/77/65/186027765.db2.gz INXPJLBGUCXSKC-MLYOOKFZSA-N 0 3 301.474 4.173 10 0 DIAEHN Cc1ccc(-c2cc(NCCN(C)C)c3ccccc3n2)cc1 ZINC000006522786 181348754 /nfs/dbraw/zinc/34/87/54/181348754.db2.gz DEUWWPYHIOKTRQ-UHFFFAOYSA-N 0 3 305.425 4.184 10 0 DIAEHN N[C@@H](c1ccc(Br)cc1)c1cc(Cl)ccc1F ZINC000019517453 182127499 /nfs/dbraw/zinc/12/74/99/182127499.db2.gz BVDSYYNAXFYPCP-ZDUSSCGKSA-N 0 3 314.585 4.290 10 0 DIAEHN NC[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1F ZINC000019671885 182135255 /nfs/dbraw/zinc/13/52/55/182135255.db2.gz ZOAMDXKQFAOIHU-CQSZACIVSA-N 0 3 300.160 4.211 10 0 DIAEHN NC[C@@H](Oc1ccc2c(c1)CCCC2)c1ccc(Cl)cc1 ZINC000019671096 182134922 /nfs/dbraw/zinc/13/49/22/182134922.db2.gz RKDRHVWWSZMIML-GOSISDBHSA-N 0 3 301.817 4.298 10 0 DIAEHN CNCc1cc(Br)ccc1OCc1cccc(C)c1 ZINC000019777479 182147746 /nfs/dbraw/zinc/14/77/46/182147746.db2.gz WNDPVQBZTSICJY-UHFFFAOYSA-N 0 3 320.230 4.056 10 0 DIAEHN N[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21 ZINC000019795848 182150781 /nfs/dbraw/zinc/15/07/81/182150781.db2.gz TZDNSPXDKHQXEX-AWEZNQCLSA-N 0 3 311.187 4.153 10 0 DIAEHN N[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc21 ZINC000019795846 182150941 /nfs/dbraw/zinc/15/09/41/182150941.db2.gz TZDNSPXDKHQXEX-CQSZACIVSA-N 0 3 311.187 4.153 10 0 DIAEHN C[C@H](N)c1cc(F)ccc1Oc1cccc(Br)c1 ZINC000019873680 182158864 /nfs/dbraw/zinc/15/88/64/182158864.db2.gz CZJHNQZZGQGCBM-VIFPVBQESA-N 0 3 310.166 4.400 10 0 DIAEHN N[C@H](c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000019970542 182171411 /nfs/dbraw/zinc/17/14/11/182171411.db2.gz XLFDRHDEUSAEOJ-QGZVFWFLSA-N 0 3 316.242 4.376 10 0 DIAEHN CCOc1ccc([C@@H](N)c2cc(Br)ccc2F)cc1 ZINC000019967508 182171663 /nfs/dbraw/zinc/17/16/63/182171663.db2.gz QURIKSQHSCLTSK-OAHLLOKOSA-N 0 3 324.193 4.035 10 0 DIAEHN CCc1ccc([C@@H](N)c2ccc(F)cc2Br)s1 ZINC000019970625 182171682 /nfs/dbraw/zinc/17/16/82/182171682.db2.gz SXJOSRJITVEPKA-ZDUSSCGKSA-N 0 3 314.223 4.260 10 0 DIAEHN Cc1ccc(C)c([C@H](N)c2ccc(Br)cc2F)c1 ZINC000019971614 182172219 /nfs/dbraw/zinc/17/22/19/182172219.db2.gz LMSJKXZLDOUGGH-OAHLLOKOSA-N 0 3 308.194 4.253 10 0 DIAEHN Cc1ccc(C)c([C@@H](N)c2ccc(F)cc2Br)c1 ZINC000019971484 182172345 /nfs/dbraw/zinc/17/23/45/182172345.db2.gz OSSJSXFPQDMIBI-HNNXBMFYSA-N 0 3 308.194 4.253 10 0 DIAEHN COc1ccc([C@H](N)c2cc(Cl)ccc2Cl)cc1OC ZINC000019981858 182173080 /nfs/dbraw/zinc/17/30/80/182173080.db2.gz PGSIYELTMJHHAB-HNNXBMFYSA-N 0 3 312.196 4.059 10 0 DIAEHN CN(Cc1ccccc1)[C@H](CN)c1cccc(Cl)c1Cl ZINC000020226721 182198557 /nfs/dbraw/zinc/19/85/57/182198557.db2.gz MDBVSDIBZPBFPF-OAHLLOKOSA-N 0 3 309.240 4.125 10 0 DIAEHN Cc1cc([C@H](N)c2ccc(Br)cc2F)c(C)s1 ZINC000020431427 182217426 /nfs/dbraw/zinc/21/74/26/182217426.db2.gz COTXJHMHSWCECM-CYBMUJFWSA-N 0 3 314.223 4.315 10 0 DIAEHN COc1ccc([C@H](N)c2cccc(C)c2C)cc1Br ZINC000020522192 182227045 /nfs/dbraw/zinc/22/70/45/182227045.db2.gz IKNFOHWVDLCSSF-INIZCTEOSA-N 0 3 320.230 4.123 10 0 DIAEHN COc1ccc([C@@H](N)c2cccc(C)c2C)cc1Br ZINC000020522190 182227126 /nfs/dbraw/zinc/22/71/26/182227126.db2.gz IKNFOHWVDLCSSF-MRXNPFEDSA-N 0 3 320.230 4.123 10 0 DIAEHN CCCOc1c(Cl)cc(CNC[C@H]2CCCO2)cc1Cl ZINC000020926321 182254291 /nfs/dbraw/zinc/25/42/91/182254291.db2.gz TVQNOFOQKKYTTG-GFCCVEGCSA-N 0 3 318.244 4.051 10 0 DIAEHN 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CC(C)N(CC1CC1)[C@@H](CN)c1c(Cl)cccc1Cl ZINC000042580492 183286531 /nfs/dbraw/zinc/28/65/31/183286531.db2.gz OSGPBEKPIVRTFS-AWEZNQCLSA-N 0 3 301.261 4.114 10 0 DIAEHN C[C@H]1CCCC[C@@H]1N(C)Cc1c(N)cccc1Br ZINC000042601481 183290344 /nfs/dbraw/zinc/29/03/44/183290344.db2.gz PUSCJWIRWSODJC-NHYWBVRUSA-N 0 3 311.267 4.042 10 0 DIAEHN C[C@H](N(C)[C@@H](CN)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000042741807 183304256 /nfs/dbraw/zinc/30/42/56/183304256.db2.gz YXFIFBWMQBWTIF-HZMBPMFUSA-N 0 3 303.277 4.360 10 0 DIAEHN C[C@@H](N(C)[C@@H](CN)c1cccc(Cl)c1Cl)C(C)(C)C ZINC000042741972 183304947 /nfs/dbraw/zinc/30/49/47/183304947.db2.gz WZQXLDBCGIDZDO-MFKMUULPSA-N 0 3 303.277 4.360 10 0 DIAEHN C[C@H]1CCCC[C@@H]1O[C@@H](CN)c1cccc(Br)c1 ZINC000043023012 183330583 /nfs/dbraw/zinc/33/05/83/183330583.db2.gz JSAWDZLRJVKCAZ-CQDKDKBSSA-N 0 3 312.251 4.044 10 0 DIAEHN CCCCCCO[C@H](CN)c1ccccc1Br ZINC000043095103 183337533 /nfs/dbraw/zinc/33/75/33/183337533.db2.gz JPUQFBURVBQNMB-CQSZACIVSA-N 0 3 300.240 4.046 10 0 DIAEHN 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ZINC000122978740 334722562 /nfs/dbraw/zinc/72/25/62/334722562.db2.gz CEDWKSZEHUTFAQ-CJNGLKHVSA-N 0 3 314.429 4.273 10 0 DIAEHN Cc1ccccc1[C@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000188988013 334880141 /nfs/dbraw/zinc/88/01/41/334880141.db2.gz CMMRPKUCFXLZPG-INIZCTEOSA-N 0 3 323.415 4.230 10 0 DIAEHN Cc1cccc2c(NC[C@H](CCO)c3ccccc3)ccnc12 ZINC000301638987 336319974 /nfs/dbraw/zinc/31/99/74/336319974.db2.gz ASYILNLLSDLFPO-KRWDZBQOSA-N 0 3 306.409 4.121 10 0 DIAEHN Cc1cccc2c(NCc3cn4c(cccc4C)n3)ccnc12 ZINC000301641046 336320133 /nfs/dbraw/zinc/32/01/33/336320133.db2.gz BHPNQJQHVGHVDU-UHFFFAOYSA-N 0 3 302.381 4.111 10 0 DIAEHN Cc1cccc2c(N[C@@H]3CCO[C@@H]3c3ccccc3)ccnc12 ZINC000301675527 336322681 /nfs/dbraw/zinc/32/26/81/336322681.db2.gz PSNHPLQYZXFKSH-UYAOXDASSA-N 0 3 304.393 4.485 10 0 DIAEHN Cc1cccc2c(N[C@H]3CCO[C@H]3c3ccccc3)ccnc12 ZINC000301675524 336322686 /nfs/dbraw/zinc/32/26/86/336322686.db2.gz PSNHPLQYZXFKSH-ICSRJNTNSA-N 0 3 304.393 4.485 10 0 DIAEHN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccnc3c(C)cccc23)C1 ZINC000301687571 336323562 /nfs/dbraw/zinc/32/35/62/336323562.db2.gz VBVJDIMWGNFXCQ-KIMHZCHSSA-N 0 3 316.470 4.035 10 0 DIAEHN CCCc1cc(NCCc2nncn2C(C)C)c2ccccc2n1 ZINC000301782422 336329512 /nfs/dbraw/zinc/32/95/12/336329512.db2.gz JKMHYGZNQILUKL-UHFFFAOYSA-N 0 3 323.444 4.014 10 0 DIAEHN Cc1cccc2c(NCc3ccc(CN(C)C)c(F)c3)ccnc12 ZINC000301866712 336335049 /nfs/dbraw/zinc/33/50/49/336335049.db2.gz HHWPJNHPASEQOV-UHFFFAOYSA-N 0 3 323.415 4.356 10 0 DIAEHN COc1cccc2c1CCN(c1ccnc3c(C)cccc13)C2 ZINC000302180439 336352716 /nfs/dbraw/zinc/35/27/16/336352716.db2.gz NTUJWJRGOXFOGI-UHFFFAOYSA-N 0 3 304.393 4.115 10 0 DIAEHN CCc1nccn1[C@@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000171524059 337087743 /nfs/dbraw/zinc/08/77/43/337087743.db2.gz BPEMAMSPRRFZOH-MRXNPFEDSA-N 0 3 315.486 4.005 10 0 DIAEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)c1cccc(Cl)c1 ZINC000178323802 337163977 /nfs/dbraw/zinc/16/39/77/337163977.db2.gz LIWPSDIXXSEABO-GUYCJALGSA-N 0 3 303.837 4.071 10 0 DIAEHN 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